#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pys s ARG 2 N 0.00 4.24 -0.48 2.12 0.52 -1.26 -1.65 118.95 122.44 1pys s ARG 2 Ca 0.00 1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 56.66 1pys s ARG 2 Cb 0.00 -3.71 0.12 0.00 0.52 0.00 0.00 34.95 31.88 1pys s ARG 2 CO 0.00 -0.68 0.32 0.08 0.02 0.00 0.00 175.30 175.04 1pys s VAL 3 N 3.39 3.90 -0.08 3.52 1.01 0.46 -4.85 120.40 127.75 1pys s VAL 3 Ca 0.50 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1pys s VAL 3 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1pys s VAL 3 CO 0.11 -0.77 1.53 -2.84 0.00 0.00 0.00 175.10 173.13 1pys s PRO 4 N 1.12 4.20 0.12 2.72 0.02 -1.26 -1.56 135.00 140.36 1pys s PRO 4 Ca 0.08 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 62.82 1pys s PRO 4 Cb -0.24 -3.88 -0.09 0.00 0.02 0.00 0.00 34.50 30.30 1pys s PRO 4 CO -0.02 -0.78 1.58 0.35 -0.33 0.00 0.00 177.00 177.79 1pys h PHE 5 N 9.01 -1.31 0.00 6.54 3.57 -1.57 -1.74 116.94 131.44 1pys h PHE 5 Ca -0.36 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.18 1pys h PHE 5 Cb 1.16 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 1pys h PHE 5 CO 0.85 -0.52 -0.02 0.66 -2.23 0.00 0.00 178.31 177.05 1pys h SER 6 N -0.60 0.00 0.00 0.41 4.64 -1.93 -0.36 113.55 115.71 1pys h SER 6 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1pys h SER 6 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1pys h SER 6 CO -0.34 0.02 -0.04 -0.25 -0.87 0.00 0.00 176.83 175.35 1pys h TRP 7 N 0.00 0.04 -0.73 4.77 2.91 -1.76 -3.18 115.95 117.99 1pys h TRP 7 Ca -0.00 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1pys h TRP 7 Cb 0.06 -0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 1pys h TRP 7 CO 0.00 0.90 0.48 1.25 -1.03 0.00 0.00 178.44 180.04 1pys h LEU 8 N -0.83 0.78 -2.29 0.65 5.85 -0.74 -0.66 115.31 118.07 1pys h LEU 8 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1pys h LEU 8 Cb 0.91 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1pys h LEU 8 CO 0.01 0.54 0.00 0.50 -0.34 0.00 0.00 178.44 179.15 1pys h LYS 9 N 0.91 0.00 0.00 1.25 3.64 -1.10 -0.61 116.57 120.66 1pys h LYS 9 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1pys h LYS 9 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1pys h LYS 9 CO -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.10 1pys h ALA 10 N 2.01 1.00 0.00 5.00 0.00 -1.09 -2.87 119.26 123.31 1pys h ALA 10 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1pys h ALA 10 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1pys h ALA 10 CO 0.00 0.00 -2.07 0.66 0.00 0.00 0.00 179.25 177.84 1pys n TYR 11 N -2.86 0.00 -3.65 0.00 4.01 -0.28 -4.66 117.16 109.72 1pys n TYR 11 Ca 0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 1pys n TYR 11 Cb 0.32 -0.73 -0.07 0.00 -0.31 0.00 0.00 39.34 38.55 1pys n TYR 11 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1pys n VAL 12 N -2.98 2.95 0.21 -0.72 0.31 -0.95 0.51 118.33 117.65 1pys n VAL 12 Ca -0.32 -5.11 0.16 0.00 -0.01 0.00 0.00 64.34 59.06 1pys n VAL 12 Cb 0.88 -2.36 0.82 0.00 -0.91 0.00 0.00 33.84 32.26 1pys n VAL 12 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1pys h PRO 13 N 5.91 0.00 -0.26 5.55 0.13 -1.66 -2.97 132.00 138.70 1pys h PRO 13 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1pys h PRO 13 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1pys h PRO 13 CO 0.85 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 1pys n GLU 14 N -3.91 1.70 -1.63 0.86 1.02 -1.26 -4.97 120.64 112.46 1pys n GLU 14 Ca 0.01 -1.08 -0.48 0.00 -0.02 0.00 0.00 57.16 55.59 1pys n GLU 14 Cb 0.30 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1pys n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pys n LEU 15 N 0.35 2.39 0.38 -4.62 4.77 -1.12 -4.90 117.00 114.24 1pys n LEU 15 Ca 0.12 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 57.06 1pys n LEU 15 Cb 0.28 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 39.97 1pys n LEU 15 CO 0.09 -0.74 0.43 -0.33 -1.33 0.00 0.00 177.39 175.52 1pys h GLU 16 N 4.70 -0.95 -2.15 3.23 3.07 -1.94 -3.49 114.58 117.05 1pys h GLU 16 Ca -0.45 0.06 0.19 0.00 -0.50 0.00 0.00 59.36 58.66 1pys h GLU 16 Cb 1.30 0.22 -0.11 0.00 -0.84 0.00 0.00 28.75 29.32 1pys h GLU 16 CO 0.79 -0.62 0.56 -1.54 -1.40 0.00 0.00 179.01 176.80 1pys s SER 17 N -4.42 -0.19 0.33 1.42 1.04 -1.26 -4.99 113.70 105.63 1pys s SER 17 Ca -0.15 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1pys s SER 17 Cb 0.02 0.40 0.58 0.00 0.10 0.00 0.00 66.02 67.11 1pys s SER 17 CO 0.47 -0.72 1.95 1.55 0.98 0.00 0.00 173.24 177.47 1pys h PRO 18 N 2.00 0.78 -0.60 4.02 0.13 -1.98 0.36 132.00 136.71 1pys h PRO 18 Ca -0.24 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1pys h PRO 18 Cb 1.23 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1pys h PRO 18 CO 0.27 0.60 0.25 0.93 -0.23 0.00 0.00 178.00 179.82 1pys h GLU 19 N 0.79 0.90 -0.24 0.86 3.07 -1.99 0.14 114.58 118.10 1pys h GLU 19 Ca 0.20 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.36 58.71 1pys h GLU 19 Cb 0.06 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1pys h GLU 19 CO -0.03 0.76 -0.61 0.28 -1.40 0.00 0.00 179.01 178.01 1pys h VAL 20 N 0.84 1.29 -0.98 3.13 2.07 -1.74 -2.75 116.25 118.10 1pys h VAL 20 Ca 0.20 -1.81 0.06 0.00 0.82 0.00 0.00 66.70 65.97 1pys h VAL 20 Cb 0.19 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1pys h VAL 20 CO -0.02 0.58 0.63 0.25 0.02 0.00 0.00 177.57 179.04 1pys h LEU 21 N 0.59 1.03 -0.70 2.57 5.85 0.22 0.17 115.31 125.04 1pys h LEU 21 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1pys h LEU 21 Cb 1.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1pys h LEU 21 CO 0.13 0.67 0.27 -0.08 -0.34 0.00 0.00 178.44 179.09 1pys h GLU 22 N 1.17 1.05 -0.52 1.25 4.81 -0.63 -0.18 114.58 121.54 1pys h GLU 22 Ca 0.41 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1pys h GLU 22 Cb 0.12 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1pys h GLU 22 CO -0.16 0.88 -0.00 1.49 -0.73 0.00 0.00 179.01 180.49 1pys h GLU 23 N 1.00 0.92 -0.09 1.92 4.81 -0.86 -1.60 114.58 120.68 1pys h GLU 23 Ca 0.23 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1pys h GLU 23 Cb 0.22 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1pys h GLU 23 CO -0.02 0.94 0.06 0.00 -0.73 0.00 0.00 179.01 179.26 1pys h ARG 24 N 0.79 0.12 -0.24 1.92 2.47 -0.41 -2.70 114.38 116.32 1pys h ARG 24 Ca 0.15 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1pys h ARG 24 Cb 0.53 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1pys h ARG 24 CO 0.03 0.11 -0.07 -0.07 0.56 0.00 0.00 179.97 180.53 1pys h LEU 25 N 0.10 0.36 -0.38 3.04 3.38 -0.88 -2.83 115.31 118.09 1pys h LEU 25 Ca 0.03 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1pys h LEU 25 Cb 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1pys h LEU 25 CO -0.01 0.47 0.15 0.00 0.09 0.00 0.00 178.44 179.15 1pys h ALA 26 N 1.57 0.46 0.00 1.53 0.00 -0.95 -0.96 119.26 120.91 1pys h ALA 26 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pys h ALA 26 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pys h ALA 26 CO 0.02 -0.23 -0.04 0.78 0.00 0.00 0.00 179.25 179.77 1pys h GLY 27 N 0.32 0.00 1.52 0.00 0.00 -1.42 -1.94 103.07 101.54 1pys h GLY 27 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1pys h GLY 27 CO -0.16 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.17 1pys n LEU 28 N -3.16 0.28 0.00 3.11 4.77 -0.73 -4.83 117.00 116.43 1pys n LEU 28 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1pys n LEU 28 Cb 0.30 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1pys n LEU 28 CO 0.28 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1pys n GLY 29 N 1.49 1.27 3.13 -0.72 0.00 -0.73 -5.05 105.19 104.58 1pys n GLY 29 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1pys n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pys s PHE 30 N -2.00 2.79 -0.18 1.61 0.08 -0.44 -4.84 117.98 115.00 1pys s PHE 30 Ca 0.00 -1.61 -0.08 0.00 0.12 0.00 0.00 56.93 55.37 1pys s PHE 30 Cb 0.00 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1pys s PHE 30 CO 0.00 -0.79 0.07 -2.00 -0.10 0.00 0.00 175.22 172.40 1pys s GLU 31 N 1.30 4.00 -0.17 0.44 2.12 -1.25 -3.00 118.70 122.14 1pys s GLU 31 Ca 0.05 -0.32 -0.20 0.00 0.36 0.00 0.00 54.97 54.86 1pys s GLU 31 Cb -0.13 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1pys s GLU 31 CO -0.12 0.29 0.56 0.95 -0.54 0.00 0.00 175.26 176.40 1pys s THR 32 N 0.33 5.09 0.19 -1.70 -4.23 -1.26 -0.59 115.64 113.47 1pys s THR 32 Ca 0.04 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1pys s THR 32 Cb -0.12 -3.89 -0.10 0.00 1.34 0.00 0.00 72.50 69.73 1pys s THR 32 CO -0.00 0.20 1.45 0.44 -0.54 0.00 0.00 174.62 176.17 1pys h ASP 33 N 7.23 0.38 -5.01 3.99 3.32 -0.44 -3.48 116.42 122.41 1pys h ASP 33 Ca -0.35 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.50 1pys h ASP 33 Cb 1.16 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1pys h ASP 33 CO 0.76 0.98 0.23 0.00 -1.72 0.00 0.00 179.24 179.49 1pys s ARG 34 N -3.57 1.67 -0.29 3.56 1.70 -1.23 -5.00 118.95 115.80 1pys s ARG 34 Ca -0.05 -0.88 -0.01 0.00 -0.47 0.00 0.00 55.73 54.32 1pys s ARG 34 Cb 0.11 0.60 0.09 0.00 -0.57 0.00 0.00 34.95 35.18 1pys s ARG 34 CO 0.83 -0.76 0.09 0.42 -1.08 0.00 0.00 175.30 174.79 1pys s ILE 35 N -3.87 0.77 0.21 4.99 1.01 -1.26 -1.25 121.20 121.80 1pys s ILE 35 Ca 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 60.65 59.49 1pys s ILE 35 Cb -0.05 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1pys s ILE 35 CO 0.03 -0.60 0.42 -1.61 0.00 0.00 0.00 174.94 173.18 1pys s GLU 36 N 1.68 3.57 -0.09 2.79 2.02 0.09 -4.88 118.70 123.88 1pys s GLU 36 Ca 0.08 -0.21 -0.00 0.00 0.02 0.00 0.00 54.97 54.85 1pys s GLU 36 Cb -0.17 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 1pys s GLU 36 CO -0.23 0.38 -0.05 1.03 0.02 0.00 0.00 175.26 176.40 1pys s ARG 37 N -3.21 2.97 0.00 1.61 0.52 -1.26 0.18 118.95 119.76 1pys s ARG 37 Ca 0.40 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1pys s ARG 37 Cb -0.11 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1pys s ARG 37 CO 0.28 0.58 0.00 1.33 0.02 0.00 0.00 175.30 177.51 1pys n VAL 38 N 2.49 0.00 -2.95 3.52 0.24 0.11 -4.94 118.33 116.80 1pys n VAL 38 Ca -0.18 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 1pys n VAL 38 Cb 0.53 -0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 1pys n VAL 38 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pys n PHE 39 N -1.33 3.17 -2.36 6.34 3.72 -1.26 -4.83 117.46 120.92 1pys n PHE 39 Ca 0.00 -3.25 -0.35 0.00 -0.05 0.00 0.00 57.45 53.79 1pys n PHE 39 Cb 0.26 -0.90 -0.04 0.00 -0.94 0.00 0.00 39.48 37.86 1pys n PHE 39 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pys s PRO 40 N -3.43 3.18 -0.24 -1.08 0.04 -1.26 -4.04 135.00 128.18 1pys s PRO 40 Ca 0.40 -0.78 -0.14 0.00 0.04 0.00 0.00 61.00 60.52 1pys s PRO 40 Cb 0.18 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 1pys s PRO 40 CO -0.06 -2.67 0.31 0.42 0.04 0.00 0.00 177.00 175.04 1pys s ILE 41 N 7.00 5.24 0.89 0.56 1.01 -1.26 -4.93 121.20 129.71 1pys s ILE 41 Ca 0.55 0.48 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 1pys s ILE 41 Cb -0.03 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.93 1pys s ILE 41 CO -0.06 0.25 1.15 -2.84 0.00 0.00 0.00 174.94 173.44 1pys s PRO 42 N 1.49 1.20 0.45 2.79 0.02 -1.26 -4.64 135.00 135.05 1pys s PRO 42 Ca 0.14 1.55 0.27 0.00 0.02 0.00 0.00 61.00 62.98 1pys s PRO 42 Cb -0.15 -1.75 0.83 0.00 0.02 0.00 0.00 34.50 33.45 1pys s PRO 42 CO 0.08 -2.50 1.78 -0.09 -0.33 0.00 0.00 177.00 175.94 1pys h ARG 43 N -1.69 0.00 0.00 5.54 2.43 -1.98 -3.00 114.38 115.69 1pys h ARG 43 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1pys h ARG 43 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1pys h ARG 43 CO 0.43 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.30 1pys n GLY 44 N 0.63 -1.24 3.63 2.80 0.00 -1.26 -4.56 105.19 105.19 1pys n GLY 44 Ca 0.03 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1pys n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pys s VAL 45 N -3.24 5.08 0.41 1.61 1.01 -1.13 -0.97 120.40 123.16 1pys s VAL 45 Ca 0.05 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.00 1pys s VAL 45 Cb 0.10 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1pys s VAL 45 CO 0.38 0.11 0.02 0.68 0.00 0.00 0.00 175.10 176.28 1pys s VAL 46 N 2.15 1.85 -0.23 2.92 -7.23 0.67 -2.65 120.40 117.88 1pys s VAL 46 Ca 0.22 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.24 1pys s VAL 46 Cb -0.16 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1pys s VAL 46 CO 0.09 0.00 0.36 0.12 -0.31 0.00 0.00 175.10 175.36 1pys s PHE 47 N -2.78 3.33 0.04 2.82 5.36 -0.95 -0.78 117.98 125.01 1pys s PHE 47 Ca 0.33 0.51 0.06 0.00 -0.96 0.00 0.00 56.93 56.87 1pys s PHE 47 Cb 0.09 -2.51 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 1pys s PHE 47 CO 0.17 -0.07 -0.17 0.00 -1.46 0.00 0.00 175.22 173.69 1pys s ALA 48 N 1.52 1.42 -0.20 11.12 0.00 -0.81 -0.59 121.76 134.23 1pys s ALA 48 Ca 0.16 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1pys s ALA 48 Cb -0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1pys s ALA 48 CO 0.08 0.30 0.16 0.50 0.00 0.00 0.00 175.76 176.80 1pys s ARG 49 N -1.13 4.20 -0.45 0.00 3.52 -0.63 -0.70 118.95 123.75 1pys s ARG 49 Ca 0.04 -0.17 -0.27 0.00 -0.13 0.00 0.00 55.73 55.21 1pys s ARG 49 Cb -0.08 -3.43 0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1pys s ARG 49 CO 0.01 0.28 0.99 0.08 -0.81 0.00 0.00 175.30 175.85 1pys s VAL 50 N 0.42 4.41 0.04 7.11 1.01 -0.45 -0.23 120.40 132.71 1pys s VAL 50 Ca 0.09 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 1pys s VAL 50 Cb -0.11 -4.47 -0.33 0.00 0.00 0.00 0.00 36.38 31.46 1pys s VAL 50 CO -0.01 -0.85 1.05 -0.07 0.00 0.00 0.00 175.10 175.22 1pys h LEU 51 N 10.70 0.86 -7.01 3.92 3.38 -1.50 -0.90 115.31 124.77 1pys h LEU 51 Ca -0.24 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.82 1pys h LEU 51 Cb 1.07 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.38 1pys h LEU 51 CO 1.05 1.67 0.19 -0.70 0.09 0.00 0.00 178.44 180.74 1pys s GLU 52 N -2.76 1.12 -0.12 1.13 2.56 -1.17 -4.67 118.70 114.79 1pys s GLU 52 Ca -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.97 54.88 1pys s GLU 52 Cb 0.05 0.53 0.03 0.00 2.00 0.00 0.00 34.13 36.73 1pys s GLU 52 CO 0.94 -0.40 -0.08 0.00 -0.56 0.00 0.00 175.26 175.16 1pys s ALA 53 N -2.04 1.38 -0.14 6.30 0.00 -1.26 -1.22 121.76 124.78 1pys s ALA 53 Ca -0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1pys s ALA 53 Cb -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1pys s ALA 53 CO 0.02 -0.44 -0.08 -1.01 0.00 0.00 0.00 175.76 174.25 1pys s HIS 54 N 1.69 2.92 0.37 0.00 0.09 -0.20 -4.93 115.29 115.22 1pys s HIS 54 Ca 0.05 -0.46 -0.25 0.00 -0.00 0.00 0.00 55.06 54.39 1pys s HIS 54 Cb -0.13 -1.90 -0.09 0.00 -0.00 0.00 0.00 32.58 30.46 1pys s HIS 54 CO -0.08 -0.12 1.04 -1.25 -0.00 0.00 0.00 174.74 174.33 1pys s PRO 55 N 0.36 4.31 -0.32 8.40 0.04 -1.26 0.73 135.00 147.26 1pys s PRO 55 Ca -0.07 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 1pys s PRO 55 Cb -0.15 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1pys s PRO 55 CO 0.04 -0.02 0.46 0.42 0.04 0.00 0.00 177.00 177.94 1pys s ILE 56 N -1.55 5.08 -0.04 0.56 1.01 -0.30 -4.83 121.20 121.13 1pys s ILE 56 Ca 0.54 0.38 -0.39 0.00 0.00 0.00 0.00 60.65 61.18 1pys s ILE 56 Cb -0.24 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 1pys s ILE 56 CO 0.30 -0.09 1.35 -2.65 0.00 0.00 0.00 174.94 173.85 1pys n PRO 57 N 5.57 0.76 -0.99 2.79 -0.02 -1.26 -1.08 135.00 140.78 1pys n PRO 57 Ca -0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1pys n PRO 57 Cb 0.49 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1pys n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pys n GLY 58 N 2.64 0.45 3.42 -1.23 0.00 -1.26 -5.01 105.19 104.20 1pys n GLY 58 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1pys n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pys s THR 59 N -1.99 0.68 -1.48 2.61 -4.23 -0.24 -5.02 115.64 105.98 1pys s THR 59 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1pys s THR 59 Cb 0.00 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.79 1pys s THR 59 CO 0.00 0.00 1.43 -2.11 -0.54 0.00 0.00 174.62 173.40 1pys n ARG 60 N -0.69 2.85 -3.37 3.99 -4.01 -1.26 -4.71 116.66 109.46 1pys n ARG 60 Ca -0.02 -2.44 -0.28 0.00 -1.04 0.00 0.00 57.85 54.07 1pys n ARG 60 Cb 0.66 -1.47 -0.03 0.00 -3.04 0.00 0.00 32.46 28.57 1pys n ARG 60 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1pys s LEU 61 N -1.08 4.06 0.13 2.89 1.43 -1.26 -4.69 118.68 120.16 1pys s LEU 61 Ca 0.39 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1pys s LEU 61 Cb 0.21 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1pys s LEU 61 CO 0.26 -0.20 -0.18 -0.54 0.23 0.00 0.00 176.35 175.92 1pys s LYS 62 N -3.63 1.13 -0.43 1.70 1.02 0.24 -1.15 119.74 118.62 1pys s LYS 62 Ca 0.43 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 1pys s LYS 62 Cb -0.11 -1.20 0.10 0.00 -0.52 0.00 0.00 37.83 36.11 1pys s LYS 62 CO 0.31 0.25 0.26 0.50 -0.92 0.00 0.00 175.35 175.75 1pys s ARG 63 N -2.41 2.39 0.06 1.68 3.52 0.22 -0.70 118.95 123.72 1pys s ARG 63 Ca 0.10 -1.64 -0.24 0.00 -0.13 0.00 0.00 55.73 53.82 1pys s ARG 63 Cb -0.07 -3.74 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 1pys s ARG 63 CO 0.05 -1.04 0.72 -0.51 -0.81 0.00 0.00 175.30 173.70 1pys s LEU 64 N 1.32 4.48 -0.28 -0.88 1.43 0.13 -1.04 118.68 123.84 1pys s LEU 64 Ca 0.05 1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 54.50 1pys s LEU 64 Cb -0.24 -3.16 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1pys s LEU 64 CO -0.01 0.09 0.07 -0.69 0.23 0.00 0.00 176.35 176.05 1pys s VAL 65 N -0.39 4.02 -0.02 -1.59 1.01 -0.36 -0.83 120.40 122.25 1pys s VAL 65 Ca 0.36 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1pys s VAL 65 Cb -0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1pys s VAL 65 CO 0.22 0.16 -0.10 -0.76 0.00 0.00 0.00 175.10 174.61 1pys s LEU 66 N 1.53 2.97 -0.55 3.92 1.43 0.52 -1.21 118.68 127.28 1pys s LEU 66 Ca 0.04 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1pys s LEU 66 Cb -0.17 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1pys s LEU 66 CO 0.02 0.32 0.77 -0.62 0.23 0.00 0.00 176.35 177.07 1pys s ASP 67 N -1.09 6.24 -0.31 2.29 -1.08 0.69 -1.20 116.67 122.20 1pys s ASP 67 Ca 0.14 -0.87 0.08 0.00 -0.52 0.00 0.00 52.55 51.38 1pys s ASP 67 Cb -0.11 -2.35 0.46 0.00 -1.46 0.00 0.00 42.92 39.46 1pys s ASP 67 CO 0.04 -1.10 1.17 0.00 0.52 0.00 0.00 175.17 175.80 1pys n ALA 68 N 6.76 4.89 0.00 3.66 0.00 -1.26 -1.61 120.51 132.95 1pys n ALA 68 Ca -0.05 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1pys n ALA 68 Cb 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1pys n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pys n GLY 69 N -0.66 2.96 3.35 0.00 0.00 -1.25 -3.98 105.19 105.61 1pys n GLY 69 Ca 0.41 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1pys n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pys s ARG 70 N 0.00 1.32 -0.31 1.61 1.70 -1.26 -5.03 118.95 116.98 1pys s ARG 70 Ca 0.00 -1.45 -0.26 0.00 -0.47 0.00 0.00 55.73 53.55 1pys s ARG 70 Cb 0.00 -1.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.02 1pys s ARG 70 CO 0.00 0.27 0.94 0.99 -1.08 0.00 0.00 175.30 176.42 1pys s THR 71 N -2.12 4.66 0.41 4.99 2.01 -1.26 -4.53 115.64 119.80 1pys s THR 71 Ca 0.17 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.73 1pys s THR 71 Cb -0.05 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 1pys s THR 71 CO 0.07 -0.35 0.02 0.68 -0.69 0.00 0.00 174.62 174.35 1pys s VAL 72 N 3.29 1.75 0.00 3.82 -7.23 -0.34 -4.97 120.40 116.72 1pys s VAL 72 Ca 0.39 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1pys s VAL 72 Cb -0.13 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1pys s VAL 72 CO 0.13 0.00 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.17 1pys s GLU 73 N -3.76 1.11 0.01 4.82 2.02 -1.26 -0.36 118.70 121.29 1pys s GLU 73 Ca 0.31 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1pys s GLU 73 Cb 0.09 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 33.22 1pys s GLU 73 CO 0.16 0.29 -0.04 0.08 0.02 0.00 0.00 175.26 175.77 1pys s VAL 74 N -0.44 0.29 -0.04 2.63 1.01 -0.01 -1.17 120.40 122.67 1pys s VAL 74 Ca 0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1pys s VAL 74 Cb -0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1pys s VAL 74 CO -0.00 -0.12 0.25 -0.69 0.00 0.00 0.00 175.10 174.54 1pys s VAL 75 N -0.58 5.32 -0.14 2.92 1.01 -1.26 0.19 120.40 127.86 1pys s VAL 75 Ca -0.04 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 1pys s VAL 75 Cb -0.05 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1pys s VAL 75 CO -0.00 0.51 0.56 -0.55 0.00 0.00 0.00 175.10 175.62 1pys s SER 76 N -1.31 -0.55 -0.15 3.32 0.15 0.13 -4.84 113.70 110.44 1pys s SER 76 Ca 0.22 0.89 0.16 0.00 0.70 0.00 0.00 55.95 57.92 1pys s SER 76 Cb -0.13 0.89 0.48 0.00 -1.71 0.00 0.00 66.02 65.55 1pys s SER 76 CO 0.11 -0.34 1.38 0.61 1.20 0.00 0.00 173.24 176.20 1pys n GLY 77 N 2.09 3.95 3.71 9.45 0.00 -1.26 -0.59 105.19 122.53 1pys n GLY 77 Ca -0.16 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1pys n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pys s ALA 78 N -2.61 3.61 -0.40 4.61 0.00 -1.26 -4.89 121.76 120.82 1pys s ALA 78 Ca 0.39 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.54 1pys s ALA 78 Cb 0.31 -3.57 0.49 0.00 0.00 0.00 0.00 23.12 20.35 1pys s ALA 78 CO 0.09 -0.72 1.19 0.39 0.00 0.00 0.00 175.76 176.71 1pys n GLU 79 N 4.36 0.06 -0.05 0.00 -0.58 -1.26 -1.93 120.64 121.24 1pys n GLU 79 Ca 0.12 0.50 0.04 0.00 -0.42 0.00 0.00 57.16 57.41 1pys n GLU 79 Cb 0.42 -1.84 0.06 0.00 -0.57 0.00 0.00 31.44 29.52 1pys n GLU 79 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1pys n ASN 80 N -1.79 2.01 -4.69 1.62 2.04 -1.26 -4.98 115.26 108.20 1pys n ASN 80 Ca -0.01 -2.44 -0.42 0.00 -0.44 0.00 0.00 54.58 51.27 1pys n ASN 80 Cb 0.15 -0.20 -0.03 0.00 -2.53 0.00 0.00 39.78 37.18 1pys n ASN 80 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pys s ALA 81 N -1.76 3.48 0.06 -2.53 0.00 -0.81 -4.91 121.76 115.28 1pys s ALA 81 Ca 0.14 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 1pys s ALA 81 Cb 0.12 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.82 1pys s ALA 81 CO 0.01 -0.72 0.69 -0.98 0.00 0.00 0.00 175.76 174.76 1pys s ARG 82 N 2.09 1.11 0.76 0.00 1.70 -1.26 -5.02 118.95 118.32 1pys s ARG 82 Ca 0.56 -0.20 -0.11 0.00 -0.47 0.00 0.00 55.73 55.51 1pys s ARG 82 Cb -0.25 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1pys s ARG 82 CO 0.23 -0.44 1.09 -1.59 -1.08 0.00 0.00 175.30 173.50 1pys s LYS 83 N -2.77 2.35 0.00 3.89 -2.85 -1.26 -4.11 119.74 114.99 1pys s LYS 83 Ca -0.02 1.12 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 1pys s LYS 83 Cb -0.01 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 1pys s LYS 83 CO -0.05 -1.57 0.00 0.41 0.10 0.00 0.00 175.35 174.24 1pys n GLY 84 N -1.34 0.56 3.24 0.59 0.00 -0.34 -5.03 105.19 102.87 1pys n GLY 84 Ca 0.09 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1pys n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pys s ILE 85 N -2.00 0.42 -0.03 -0.61 -4.36 -1.26 -4.39 121.20 108.97 1pys s ILE 85 Ca 0.00 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.39 1pys s ILE 85 Cb 0.00 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 1pys s ILE 85 CO 0.00 -0.27 0.13 -0.83 0.24 0.00 0.00 174.94 174.21 1pys s GLY 86 N -3.19 2.10 0.22 6.27 0.00 0.51 -1.34 107.32 111.90 1pys s GLY 86 Ca 0.30 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1pys s GLY 86 CO 0.07 -0.63 0.03 -1.34 0.00 0.00 0.00 173.10 171.23 1pys s VAL 87 N -1.20 0.78 -0.44 1.40 -7.23 0.12 -0.72 120.40 113.11 1pys s VAL 87 Ca 0.23 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 1pys s VAL 87 Cb -0.12 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.50 1pys s VAL 87 CO 0.13 -0.27 0.33 0.00 -0.31 0.00 0.00 175.10 174.99 1pys s ALA 88 N -3.59 3.47 -0.14 1.32 0.00 -1.26 -1.92 121.76 119.64 1pys s ALA 88 Ca 0.30 -1.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1pys s ALA 88 Cb 0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1pys s ALA 88 CO 0.09 -1.61 0.52 -1.17 0.00 0.00 0.00 175.76 173.59 1pys s LEU 89 N 1.61 4.24 -0.55 0.00 0.20 0.04 -0.75 118.68 123.47 1pys s LEU 89 Ca 0.04 0.82 -0.18 0.00 0.69 0.00 0.00 54.13 55.50 1pys s LEU 89 Cb -0.22 -2.74 0.10 0.00 -0.43 0.00 0.00 46.19 42.90 1pys s LEU 89 CO 0.07 -0.07 0.59 0.00 -0.29 0.00 0.00 176.35 176.65 1pys s ALA 90 N 0.96 3.50 0.52 5.97 0.00 -0.16 -0.24 121.76 132.33 1pys s ALA 90 Ca 0.27 -2.26 -0.22 0.00 0.00 0.00 0.00 51.96 49.74 1pys s ALA 90 Cb -0.15 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1pys s ALA 90 CO 0.11 -2.13 1.37 -0.51 0.00 0.00 0.00 175.76 174.60 1pys s LEU 91 N 2.20 3.91 0.35 0.00 1.43 -0.15 -2.46 118.68 123.96 1pys s LEU 91 Ca 0.08 2.78 -0.27 0.00 -1.03 0.00 0.00 54.13 55.69 1pys s LEU 91 Cb -0.25 -4.21 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 1pys s LEU 91 CO 0.06 -1.48 1.18 -0.81 0.23 0.00 0.00 176.35 175.53 1pys n PRO 92 N -0.85 1.81 0.00 1.29 -0.04 -1.26 -1.78 135.00 134.17 1pys n PRO 92 Ca 0.09 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1pys n PRO 92 Cb 0.44 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1pys n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pys n GLY 93 N 0.94 2.97 3.70 0.55 0.00 0.77 -4.95 105.19 109.17 1pys n GLY 93 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1pys n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pys s THR 94 N -2.69 3.22 -0.21 2.61 2.01 -0.73 -4.74 115.64 115.11 1pys s THR 94 Ca 0.00 0.77 -0.19 0.00 0.31 0.00 0.00 61.69 62.58 1pys s THR 94 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1pys s THR 94 CO 0.00 0.03 0.57 -1.61 -0.69 0.00 0.00 174.62 172.92 1pys s GLU 95 N 1.84 4.19 -0.12 4.92 2.02 -1.26 -0.88 118.70 129.40 1pys s GLU 95 Ca 0.68 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 56.10 1pys s GLU 95 Cb -0.37 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 1pys s GLU 95 CO 0.30 -0.21 0.11 -0.51 0.02 0.00 0.00 175.26 174.97 1pys s LEU 96 N 1.83 4.20 0.00 1.80 1.43 -1.00 -4.89 118.68 122.06 1pys s LEU 96 Ca 0.26 0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.49 1pys s LEU 96 Cb -0.16 -2.02 -0.18 0.00 0.03 0.00 0.00 46.19 43.86 1pys s LEU 96 CO 0.10 0.37 1.32 1.55 0.23 0.00 0.00 176.35 179.92 1pys h PRO 97 N 5.26 0.11 0.69 1.29 0.13 -1.85 -1.51 132.00 136.12 1pys h PRO 97 Ca -0.52 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1pys h PRO 97 Cb 1.21 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1pys h PRO 97 CO 0.60 0.54 -0.46 0.78 -0.23 0.00 0.00 178.00 179.22 1pys h GLY 98 N -0.31 -1.24 -1.04 1.56 0.00 -1.66 -2.92 103.07 97.45 1pys h GLY 98 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1pys h GLY 98 CO 0.01 -0.42 0.00 1.47 0.00 0.00 0.00 176.54 177.60 1pys n LEU 99 N -5.59 1.78 0.00 3.11 -0.00 -1.25 -4.86 117.00 110.19 1pys n LEU 99 Ca -0.14 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 1pys n LEU 99 Cb 0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1pys n LEU 99 CO 0.33 0.41 0.00 0.61 -0.00 0.00 0.00 177.39 178.74 1pys n GLY 100 N 1.10 0.00 3.80 1.47 0.00 -0.57 -4.86 105.19 106.13 1pys n GLY 100 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pys n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pys s GLN 101 N -0.51 2.21 -0.13 1.61 -1.52 -1.26 -4.86 119.66 115.20 1pys s GLN 101 Ca 0.00 -2.13 -0.13 0.00 -1.95 0.00 0.00 55.36 51.15 1pys s GLN 101 Cb 0.00 -1.83 -0.05 0.00 -0.22 0.00 0.00 33.01 30.91 1pys s GLN 101 CO 0.00 -0.38 0.27 0.21 -0.25 0.00 0.00 175.29 175.14 1pys s LYS 102 N -4.02 4.08 0.20 2.91 2.20 -1.26 -2.38 119.74 121.47 1pys s LYS 102 Ca 0.25 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 1pys s LYS 102 Cb 0.01 -3.36 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1pys s LYS 102 CO 0.14 0.39 1.05 0.08 -0.36 0.00 0.00 175.35 176.65 1pys s VAL 103 N 0.02 3.94 0.09 4.02 1.01 -0.06 -4.96 120.40 124.46 1pys s VAL 103 Ca 0.17 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.85 1pys s VAL 103 Cb -0.13 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1pys s VAL 103 CO 0.05 0.34 0.09 -0.83 0.00 0.00 0.00 175.10 174.74 1pys s GLY 104 N -0.41 0.44 0.15 4.51 0.00 -1.26 -0.16 107.32 110.58 1pys s GLY 104 Ca 0.47 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 1pys s GLY 104 CO 0.35 -1.11 1.14 1.85 0.00 0.00 0.00 173.10 175.33 1pys s GLU 105 N -3.93 4.53 0.06 2.90 2.12 -1.26 -3.86 118.70 119.26 1pys s GLU 105 Ca 0.10 1.76 -0.13 0.00 0.36 0.00 0.00 54.97 57.06 1pys s GLU 105 Cb 0.06 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.18 1pys s GLU 105 CO -0.07 -0.04 0.29 -0.98 -0.54 0.00 0.00 175.26 173.91 1pys s ARG 106 N 0.03 0.82 -0.19 4.30 1.70 -0.27 -4.96 118.95 120.38 1pys s ARG 106 Ca 0.52 -0.59 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 1pys s ARG 106 Cb -0.30 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1pys s ARG 106 CO 0.34 -0.27 0.79 0.08 -1.08 0.00 0.00 175.30 175.16 1pys s VAL 107 N -2.82 4.90 -0.18 4.99 1.01 -1.26 0.25 120.40 127.29 1pys s VAL 107 Ca -0.03 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 1pys s VAL 107 Cb 0.00 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1pys s VAL 107 CO -0.05 0.02 0.02 -0.63 0.00 0.00 0.00 175.10 174.46 1pys s ILE 108 N 2.24 0.64 -1.36 2.22 1.01 0.21 -4.89 121.20 121.27 1pys s ILE 108 Ca 0.36 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1pys s ILE 108 Cb -0.16 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 1pys s ILE 108 CO 0.11 -0.11 0.49 0.00 0.00 0.00 0.00 174.94 175.42 1pys n GLN 109 N 5.01 -3.04 0.00 2.79 1.13 -1.26 -1.56 117.38 120.45 1pys n GLN 109 Ca -0.09 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1pys n GLN 109 Cb 0.47 -4.47 0.00 0.00 0.11 0.00 0.00 30.24 26.36 1pys n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pys n GLY 110 N -1.93 2.63 3.49 1.08 0.00 -1.26 -5.00 105.19 104.21 1pys n GLY 110 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1pys n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pys s VAL 111 N -2.31 3.18 -0.39 1.61 0.11 -0.60 -5.08 120.40 116.92 1pys s VAL 111 Ca 0.00 -0.68 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 1pys s VAL 111 Cb 0.00 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.60 1pys s VAL 111 CO 0.00 0.59 0.56 0.00 -3.33 0.00 0.00 175.10 172.92 1pys s ARG 112 N -0.72 3.43 -0.32 1.54 1.70 -1.26 -0.62 118.95 122.70 1pys s ARG 112 Ca 0.11 -0.30 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 1pys s ARG 112 Cb -0.11 -3.88 0.01 0.00 -0.57 0.00 0.00 34.95 30.40 1pys s ARG 112 CO 0.01 -0.82 1.02 0.45 -1.08 0.00 0.00 175.30 174.88 1pys s SER 113 N 1.86 6.87 -1.26 -2.89 0.15 0.14 -4.77 113.70 113.79 1pys s SER 113 Ca 0.20 0.95 -0.12 0.00 0.70 0.00 0.00 55.95 57.68 1pys s SER 113 Cb -0.15 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.80 1pys s SER 113 CO 0.16 -0.84 1.71 0.33 1.20 0.00 0.00 173.24 175.80 1pys n PHE 114 N 6.76 3.87 -0.71 3.44 7.35 -0.31 -1.11 117.46 136.74 1pys n PHE 114 Ca 0.10 -3.03 0.00 0.00 -0.76 0.00 0.00 57.45 53.76 1pys n PHE 114 Cb 0.47 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 38.19 1pys n PHE 114 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pys n GLY 115 N 3.51 -1.81 3.51 7.13 0.00 -1.25 -4.62 105.19 111.66 1pys n GLY 115 Ca 0.40 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1pys n GLY 115 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1pys s MET 116 N 0.00 0.67 0.37 1.61 0.23 -1.03 -4.75 119.30 116.39 1pys s MET 116 Ca 0.00 0.92 -0.27 0.00 -1.03 0.00 0.00 55.69 55.30 1pys s MET 116 Cb 0.00 0.26 -0.09 0.00 -1.53 0.00 0.00 34.83 33.46 1pys s MET 116 CO 0.00 -0.11 1.25 0.00 -2.03 0.00 0.00 175.02 174.13 1pys s ALA 117 N 0.73 3.33 0.16 3.16 0.00 -1.26 -0.98 121.76 126.89 1pys s ALA 117 Ca -0.03 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1pys s ALA 117 Cb -0.05 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1pys s ALA 117 CO -0.05 -0.62 0.11 -0.51 0.00 0.00 0.00 175.76 174.69 1pys s LEU 118 N -2.12 3.73 0.22 0.00 1.43 0.07 -4.93 118.68 117.08 1pys s LEU 118 Ca 0.53 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1pys s LEU 118 Cb -0.36 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1pys s LEU 118 CO 0.47 0.08 0.33 -0.94 0.23 0.00 0.00 176.35 176.52 1pys s SER 119 N -3.03 6.28 0.38 2.29 1.04 -1.26 -1.46 113.70 117.94 1pys s SER 119 Ca 0.30 0.08 0.19 0.00 0.48 0.00 0.00 55.95 57.00 1pys s SER 119 Cb -0.10 -1.85 1.16 0.00 0.10 0.00 0.00 66.02 65.33 1pys s SER 119 CO 0.23 -0.04 1.70 -0.65 0.98 0.00 0.00 173.24 175.45 1pys h PRO 120 N 1.40 0.31 -0.22 4.02 0.11 -1.68 -0.67 132.00 135.27 1pys h PRO 120 Ca -0.51 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 1pys h PRO 120 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pys h PRO 120 CO 0.63 0.20 -0.40 -0.09 -0.21 0.00 0.00 178.00 178.13 1pys h ARG 121 N 0.32 0.66 -0.18 1.05 1.12 -0.74 -2.01 114.38 114.60 1pys h ARG 121 Ca 0.70 -0.42 -0.07 0.00 -1.11 0.00 0.00 59.98 59.08 1pys h ARG 121 Cb 1.79 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.79 1pys h ARG 121 CO -0.44 1.03 -0.18 0.93 -3.11 0.00 0.00 179.97 178.21 1pys h GLU 122 N 0.37 0.31 0.00 0.20 5.08 -1.42 -1.80 114.58 117.31 1pys h GLU 122 Ca 0.01 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1pys h GLU 122 Cb 1.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1pys h GLU 122 CO 0.09 0.49 -0.12 1.25 -1.00 0.00 0.00 179.01 179.72 1pys h LEU 123 N 0.29 0.00 0.00 1.33 5.85 -1.45 -2.59 115.31 118.74 1pys h LEU 123 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pys h LEU 123 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1pys h LEU 123 CO 0.03 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 1pys n GLY 124 N 1.06 0.71 0.23 3.75 0.00 -0.68 -4.52 105.19 105.73 1pys n GLY 124 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1pys n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pys n VAL 125 N -2.57 0.00 -3.62 1.61 0.24 -0.80 -4.96 118.33 108.24 1pys n VAL 125 Ca 0.00 -0.12 -0.01 0.00 -2.04 0.00 0.00 64.34 62.17 1pys n VAL 125 Cb 0.00 0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 1pys n VAL 125 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pys s GLY 126 N -2.51 -0.36 0.21 7.63 0.00 -1.06 -4.79 107.32 106.44 1pys s GLY 126 Ca 0.24 0.89 0.09 0.00 0.00 0.00 0.00 44.72 45.94 1pys s GLY 126 CO 0.52 0.23 1.47 0.83 0.00 0.00 0.00 173.10 176.15 1pys h GLU 127 N 2.00 0.01 -6.52 2.90 5.08 -1.94 -2.90 114.58 113.22 1pys h GLU 127 Ca -0.23 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.54 1pys h GLU 127 Cb 1.20 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.51 1pys h GLU 127 CO 0.27 0.79 0.83 0.98 -1.00 0.00 0.00 179.01 180.88 1pys n TYR 128 N -3.62 2.34 -1.64 4.33 9.36 -1.26 -4.57 117.16 122.10 1pys n TYR 128 Ca -0.01 0.23 0.03 0.00 3.32 0.00 0.00 57.90 61.47 1pys n TYR 128 Cb 0.75 -2.56 0.04 0.00 -0.63 0.00 0.00 39.34 36.94 1pys n TYR 128 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pys n GLY 129 N 3.51 1.63 0.81 2.98 0.00 -1.26 -0.78 105.19 112.08 1pys n GLY 129 Ca 0.17 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1pys n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pys n GLY 130 N -0.42 1.06 3.61 -0.02 0.00 -1.26 -4.97 105.19 103.19 1pys n GLY 130 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 1pys n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pys s GLY 131 N -1.00 -0.32 0.64 -0.02 0.00 -1.26 -4.60 107.32 100.77 1pys s GLY 131 Ca 0.29 1.48 -0.16 0.00 0.00 0.00 0.00 44.72 46.33 1pys s GLY 131 CO 0.20 0.44 1.13 1.08 0.00 0.00 0.00 173.10 175.95 1pys s LEU 132 N -2.41 3.46 0.31 0.66 1.43 -1.26 -3.99 118.68 116.88 1pys s LEU 132 Ca 0.12 2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1pys s LEU 132 Cb 0.02 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 1pys s LEU 132 CO -0.04 -1.63 1.17 -0.76 0.23 0.00 0.00 176.35 175.32 1pys s LEU 133 N -4.68 4.47 -0.22 1.79 2.01 -0.53 -4.82 118.68 116.70 1pys s LEU 133 Ca 0.69 2.40 0.02 0.00 0.01 0.00 0.00 54.13 57.25 1pys s LEU 133 Cb -0.22 -3.68 0.04 0.00 0.01 0.00 0.00 46.19 42.33 1pys s LEU 133 CO 0.39 -0.32 -0.15 -1.61 1.01 0.00 0.00 176.35 175.66 1pys s GLU 134 N -1.66 2.68 0.30 1.70 2.02 -1.26 -4.52 118.70 117.96 1pys s GLU 134 Ca 0.47 -1.05 0.09 0.00 0.02 0.00 0.00 54.97 54.50 1pys s GLU 134 Cb -0.34 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1pys s GLU 134 CO 0.44 -0.37 0.09 -0.06 0.02 0.00 0.00 175.26 175.39 1pys s PHE 135 N 1.22 2.74 0.49 1.61 0.08 0.10 -4.64 117.98 119.57 1pys s PHE 135 Ca -0.01 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.51 1pys s PHE 135 Cb -0.16 -1.45 -0.06 0.00 -0.57 0.00 0.00 43.02 40.77 1pys s PHE 135 CO -0.09 0.46 1.28 -2.14 -0.10 0.00 0.00 175.22 174.63 1pys s PRO 136 N -3.78 3.51 0.30 0.24 0.02 -1.26 -0.36 135.00 133.66 1pys s PRO 136 Ca 0.35 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.48 1pys s PRO 136 Cb -0.04 -2.39 0.79 0.00 0.02 0.00 0.00 34.50 32.87 1pys s PRO 136 CO 0.22 -0.84 1.71 1.49 -0.33 0.00 0.00 177.00 179.24 1pys h GLU 137 N 1.87 0.44 -0.49 5.54 4.81 -1.83 -2.06 114.58 122.86 1pys h GLU 137 Ca -0.50 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1pys h GLU 137 Cb 1.27 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1pys h GLU 137 CO 0.59 0.29 0.06 -0.40 -0.73 0.00 0.00 179.01 178.83 1pys n ASP 138 N -4.99 4.68 -0.29 1.04 5.68 -1.26 -4.62 116.55 116.79 1pys n ASP 138 Ca 0.24 -3.09 0.08 0.00 -0.50 0.00 0.00 54.79 51.52 1pys n ASP 138 Cb 0.69 -0.65 0.24 0.00 -1.14 0.00 0.00 41.12 40.26 1pys n ASP 138 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pys h ALA 139 N 2.72 1.28 -2.55 2.12 0.00 -1.73 -3.44 119.26 117.66 1pys h ALA 139 Ca 0.08 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1pys h ALA 139 Cb 1.87 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 1pys h ALA 139 CO 0.46 -0.17 -0.40 -0.51 0.00 0.00 0.00 179.25 178.62 1pys s LEU 140 N -10.41 1.29 0.07 0.00 1.43 -1.26 -5.04 118.68 104.76 1pys s LEU 140 Ca -0.12 -0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 51.80 1pys s LEU 140 Cb 0.22 0.96 -0.08 0.00 0.03 0.00 0.00 46.19 47.32 1pys s LEU 140 CO 0.78 -0.81 1.58 -2.84 0.23 0.00 0.00 176.35 175.29 1pys s PRO 141 N -3.95 4.22 -0.03 1.29 0.02 -1.26 -4.86 135.00 130.43 1pys s PRO 141 Ca 0.15 2.25 -0.38 0.00 0.02 0.00 0.00 61.00 63.04 1pys s PRO 141 Cb 0.05 -3.53 -0.16 0.00 0.02 0.00 0.00 34.50 30.87 1pys s PRO 141 CO -0.03 -0.67 1.47 -2.30 -0.33 0.00 0.00 177.00 175.14 1pys n PRO 142 N 5.30 1.17 0.00 5.54 -0.02 -1.26 -0.94 135.00 144.79 1pys n PRO 142 Ca 0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1pys n PRO 142 Cb 0.41 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1pys n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pys n GLY 143 N 3.07 2.62 3.71 -1.23 0.00 0.25 -3.79 105.19 109.80 1pys n GLY 143 Ca 0.21 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1pys n GLY 143 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pys n THR 144 N 0.00 0.06 -1.73 2.61 -2.24 -0.11 -4.47 114.28 108.39 1pys n THR 144 Ca 0.00 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1pys n THR 144 Cb 0.00 -1.96 -0.02 0.00 -2.10 0.00 0.00 70.33 66.25 1pys n THR 144 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1pys n PRO 145 N 4.18 2.67 -0.21 -0.78 -0.02 -1.26 -2.24 135.00 137.34 1pys n PRO 145 Ca 0.16 0.96 -0.02 0.00 -2.02 0.00 0.00 63.50 62.58 1pys n PRO 145 Cb 0.34 -2.76 0.09 0.00 -0.02 0.00 0.00 33.50 31.16 1pys n PRO 145 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pys h LEU 146 N 5.51 0.47 -0.97 2.45 5.85 -1.80 -0.76 115.31 126.06 1pys h LEU 146 Ca -0.45 0.04 0.32 0.00 0.84 0.00 0.00 57.88 58.62 1pys h LEU 146 Cb 1.22 -0.05 -0.17 0.00 0.37 0.00 0.00 40.66 42.02 1pys h LEU 146 CO 0.85 0.31 0.28 0.28 -0.34 0.00 0.00 178.44 179.82 1pys h SER 147 N 0.61 -0.04 0.11 1.25 0.02 -1.81 0.90 113.55 114.59 1pys h SER 147 Ca 0.28 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1pys h SER 147 Cb 0.20 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1pys h SER 147 CO -0.19 -0.33 -0.01 -0.33 -1.14 0.00 0.00 176.83 174.83 1pys h GLU 148 N 0.07 0.00 0.00 3.45 5.08 -1.53 -1.59 114.58 120.06 1pys h GLU 148 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1pys h GLU 148 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1pys h GLU 148 CO -0.79 0.01 -0.60 0.00 -1.00 0.00 0.00 179.01 176.63 1pys n ALA 149 N -2.17 3.10 -3.48 3.43 0.00 0.28 -4.82 120.51 116.85 1pys n ALA 149 Ca -0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 1pys n ALA 149 Cb 0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 1pys n ALA 149 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1pys n TRP 150 N -1.32 0.53 -1.65 0.00 -0.00 0.79 -4.85 117.44 110.94 1pys n TRP 150 Ca 0.01 -3.66 -0.32 0.00 -0.00 0.00 0.00 57.50 53.54 1pys n TRP 150 Cb 0.16 -0.12 0.05 0.00 -0.00 0.00 0.00 31.31 31.41 1pys n TRP 150 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1pys s PRO 151 N -0.72 2.80 0.90 5.87 0.04 -1.16 -4.47 135.00 138.27 1pys s PRO 151 Ca 0.32 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 1pys s PRO 151 Cb 0.05 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.77 1pys s PRO 151 CO -0.16 -1.22 1.15 -1.21 0.04 0.00 0.00 177.00 175.59 1pys s GLU 152 N -4.50 1.11 0.02 4.56 2.02 -1.26 -4.68 118.70 115.98 1pys s GLU 152 Ca 0.63 1.54 0.01 0.00 0.02 0.00 0.00 54.97 57.17 1pys s GLU 152 Cb -0.17 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 1pys s GLU 152 CO 0.47 -2.56 -0.05 -2.00 0.02 0.00 0.00 175.26 171.14 1pys s GLU 153 N -4.64 0.37 -0.19 1.61 2.56 -1.26 -4.83 118.70 112.32 1pys s GLU 153 Ca 0.67 -0.52 -0.06 0.00 0.00 0.00 0.00 54.97 55.06 1pys s GLU 153 Cb -0.23 -0.13 -0.03 0.00 2.00 0.00 0.00 34.13 35.74 1pys s GLU 153 CO 0.57 0.02 0.03 0.08 -0.56 0.00 0.00 175.26 175.40 1pys s VAL 154 N -1.04 4.36 -0.12 3.70 1.01 -1.26 0.06 120.40 127.12 1pys s VAL 154 Ca -0.09 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1pys s VAL 154 Cb -0.07 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1pys s VAL 154 CO -0.00 0.45 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 1pys s VAL 155 N 0.62 1.91 -0.21 2.92 1.01 0.13 -1.26 120.40 125.52 1pys s VAL 155 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1pys s VAL 155 Cb -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1pys s VAL 155 CO 0.02 0.52 0.14 -0.76 0.00 0.00 0.00 175.10 175.03 1pys s LEU 156 N 0.66 4.19 -0.80 3.92 1.02 -0.60 -0.73 118.68 126.33 1pys s LEU 156 Ca -0.12 0.21 -0.17 0.00 0.02 0.00 0.00 54.13 54.07 1pys s LEU 156 Cb -0.16 -2.10 0.15 0.00 0.02 0.00 0.00 46.19 44.10 1pys s LEU 156 CO 0.02 0.15 0.89 -0.62 0.02 0.00 0.00 176.35 176.81 1pys s ASP 157 N 0.55 6.56 0.39 2.29 -1.08 -0.38 -0.40 116.67 124.59 1pys s ASP 157 Ca 0.08 -2.11 -0.19 0.00 -0.52 0.00 0.00 52.55 49.82 1pys s ASP 157 Cb -0.12 -2.31 -0.10 0.00 -1.46 0.00 0.00 42.92 38.93 1pys s ASP 157 CO -0.00 -0.91 0.87 -0.76 0.52 0.00 0.00 175.17 174.89 1pys s LEU 158 N 1.81 3.98 -0.31 -1.34 1.43 -0.66 0.35 118.68 123.95 1pys s LEU 158 Ca 0.22 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 1pys s LEU 158 Cb -0.12 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 1pys s LEU 158 CO -0.05 -0.31 0.31 -1.61 0.23 0.00 0.00 176.35 174.92 1pys s GLU 159 N -3.12 3.78 -0.40 1.70 0.41 0.24 -2.30 118.70 119.01 1pys s GLU 159 Ca 0.59 -0.29 -0.02 0.00 -0.41 0.00 0.00 54.97 54.84 1pys s GLU 159 Cb -0.09 -3.73 0.11 0.00 -1.78 0.00 0.00 34.13 28.64 1pys s GLU 159 CO 0.15 -0.36 0.18 0.08 -0.49 0.00 0.00 175.26 174.82 1pys s VAL 160 N 1.94 3.14 0.77 2.63 1.01 -1.26 -3.77 120.40 124.85 1pys s VAL 160 Ca 0.11 -2.10 -0.15 0.00 0.00 0.00 0.00 61.98 59.84 1pys s VAL 160 Cb -0.16 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1pys s VAL 160 CO 0.11 -0.68 0.85 0.35 0.00 0.00 0.00 175.10 175.73 1pys n THR 161 N 4.54 2.06 -0.08 3.92 -2.24 -1.26 -4.89 114.28 116.32 1pys n THR 161 Ca -0.01 -0.32 0.25 0.00 -2.27 0.00 0.00 64.05 61.69 1pys n THR 161 Cb 0.41 -0.98 0.71 0.00 -2.10 0.00 0.00 70.33 68.38 1pys n THR 161 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1pys h PRO 162 N -0.58 0.00 0.00 -0.78 0.11 -2.00 -1.63 132.00 127.12 1pys h PRO 162 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pys h PRO 162 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1pys h PRO 162 CO 0.44 0.00 0.00 -2.95 -0.21 0.00 0.00 178.00 175.28 1pys h ASN 163 N 0.00 0.00 -2.36 -2.05 -1.07 -1.96 -3.36 115.58 104.78 1pys h ASN 163 Ca 0.34 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 56.05 1pys h ASN 163 Cb 1.39 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.26 1pys h ASN 163 CO -0.00 0.00 -0.19 0.54 0.07 0.00 0.00 177.43 177.85 1pys n ARG 164 N -3.09 3.33 0.25 4.14 5.12 -0.61 -4.24 116.66 121.56 1pys n ARG 164 Ca 0.02 -4.70 0.09 0.00 -1.93 0.00 0.00 57.85 51.33 1pys n ARG 164 Cb 0.38 -2.32 0.64 0.00 -1.16 0.00 0.00 32.46 30.00 1pys n ARG 164 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1pys h PRO 165 N 4.16 0.00 0.00 5.56 0.13 -1.76 -1.71 132.00 138.38 1pys h PRO 165 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1pys h PRO 165 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1pys h PRO 165 CO 0.96 0.13 0.00 0.38 -0.23 0.00 0.00 178.00 179.25 1pys h ASP 166 N 0.00 0.00 -0.08 1.44 2.03 -1.88 -0.61 116.42 117.33 1pys h ASP 166 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1pys h ASP 166 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1pys h ASP 166 CO 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.23 1pys n ALA 167 N -1.86 2.57 -0.05 4.15 0.00 -0.64 -3.33 120.51 121.35 1pys n ALA 167 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.16 1pys n ALA 167 Cb 0.12 -1.20 0.24 0.00 0.00 0.00 0.00 19.45 18.60 1pys n ALA 167 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pys n LEU 168 N -0.25 3.66 -3.83 0.00 4.77 -0.24 -4.71 117.00 116.40 1pys n LEU 168 Ca 0.15 -1.85 -0.13 0.00 -0.03 0.00 0.00 56.01 54.15 1pys n LEU 168 Cb 0.20 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 1pys n LEU 168 CO 0.12 0.48 -0.32 -0.83 -1.33 0.00 0.00 177.39 175.52 1pys s GLY 169 N -0.51 -0.01 0.50 -0.72 0.00 -1.21 -3.87 107.32 101.50 1pys s GLY 169 Ca 0.32 0.19 0.18 0.00 0.00 0.00 0.00 44.72 45.41 1pys s GLY 169 CO 0.10 0.27 2.07 1.41 0.00 0.00 0.00 173.10 176.95 1pys h LEU 170 N 6.39 0.11 -0.91 0.66 4.07 -0.60 0.10 115.31 125.13 1pys h LEU 170 Ca -0.30 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.55 1pys h LEU 170 Cb 1.19 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 1pys h LEU 170 CO 0.48 0.07 -0.52 0.25 -1.08 0.00 0.00 178.44 177.64 1pys h LEU 171 N 0.12 0.06 -0.14 1.67 6.46 -1.18 -0.67 115.31 121.63 1pys h LEU 171 Ca 0.14 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1pys h LEU 171 Cb 0.39 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1pys h LEU 171 CO -0.02 0.57 0.03 1.23 -0.62 0.00 0.00 178.44 179.64 1pys h GLY 172 N 1.53 0.24 1.05 3.75 0.00 -1.09 -1.00 103.07 107.55 1pys h GLY 172 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1pys h GLY 172 CO 0.07 0.14 0.42 1.41 0.00 0.00 0.00 176.54 178.58 1pys h LEU 173 N 0.03 1.11 -1.38 3.11 4.07 -1.29 -2.60 115.31 118.37 1pys h LEU 173 Ca 0.04 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1pys h LEU 173 Cb 0.26 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1pys h LEU 173 CO 0.00 0.93 0.41 0.00 -1.08 0.00 0.00 178.44 178.71 1pys h ALA 174 N 1.24 1.55 0.00 1.53 0.00 -0.61 -1.59 119.26 121.38 1pys h ALA 174 Ca 0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1pys h ALA 174 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pys h ALA 174 CO -0.04 0.42 -0.28 0.00 0.00 0.00 0.00 179.25 179.35 1pys h ARG 175 N 0.85 0.00 0.09 0.00 3.08 -0.80 -1.32 114.38 116.28 1pys h ARG 175 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1pys h ARG 175 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1pys h ARG 175 CO -0.05 0.28 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.65 1pys h ASP 176 N 0.00 -0.10 -0.19 7.04 5.19 -1.24 -2.90 116.42 124.22 1pys h ASP 176 Ca -0.00 -0.49 0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1pys h ASP 176 Cb 0.74 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1pys h ASP 176 CO 0.04 0.51 0.19 -0.07 -3.12 0.00 0.00 179.24 176.79 1pys h LEU 177 N -0.77 0.00 -0.74 1.55 3.38 -1.33 0.43 115.31 117.84 1pys h LEU 177 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1pys h LEU 177 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1pys h LEU 177 CO 0.02 0.00 -0.30 -0.74 0.09 0.00 0.00 178.44 177.51 1pys h HIS 178 N 0.00 0.72 0.00 1.13 2.76 -1.09 -2.64 115.15 116.03 1pys h HIS 178 Ca 0.09 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1pys h HIS 178 Cb 0.47 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1pys h HIS 178 CO 0.00 0.86 -0.11 0.00 -1.30 0.00 0.00 177.93 177.38 1pys h ALA 179 N 1.13 1.54 0.00 5.26 0.00 0.06 -0.19 119.26 127.06 1pys h ALA 179 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pys h ALA 179 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pys h ALA 179 CO 0.06 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 1pys h LEU 180 N 0.00 0.00 0.00 0.00 4.07 -1.41 -3.47 115.31 114.50 1pys h LEU 180 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pys h LEU 180 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1pys h LEU 180 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1pys n GLY 181 N 0.31 1.14 3.75 0.83 0.00 -0.09 -5.12 105.19 106.01 1pys n GLY 181 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1pys n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pys s TYR 182 N -1.16 2.38 0.23 1.61 1.51 -1.13 -5.01 117.35 115.79 1pys s TYR 182 Ca 0.00 1.60 -0.26 0.00 -1.01 0.00 0.00 57.07 57.41 1pys s TYR 182 Cb 0.00 -3.11 -0.09 0.00 -0.11 0.00 0.00 41.96 38.65 1pys s TYR 182 CO 0.00 -2.00 0.84 0.00 -1.11 0.00 0.00 175.55 173.28 1pys s ALA 183 N -2.83 3.36 -0.16 3.71 0.00 -1.26 -4.48 121.76 120.09 1pys s ALA 183 Ca 0.62 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 1pys s ALA 183 Cb -0.18 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1pys s ALA 183 CO 0.56 0.25 -0.07 -1.17 0.00 0.00 0.00 175.76 175.33 1pys s LEU 184 N -1.52 2.99 -0.36 0.00 0.20 -1.26 -4.14 118.68 114.59 1pys s LEU 184 Ca 0.42 -0.26 -0.00 0.00 0.69 0.00 0.00 54.13 54.98 1pys s LEU 184 Cb -0.21 -1.72 0.09 0.00 -0.43 0.00 0.00 46.19 43.92 1pys s LEU 184 CO 0.26 0.12 0.10 -0.69 -0.29 0.00 0.00 176.35 175.85 1pys s VAL 185 N 0.64 2.86 0.02 1.68 1.01 0.18 -5.02 120.40 121.78 1pys s VAL 185 Ca -0.04 -1.98 -0.20 0.00 0.00 0.00 0.00 61.98 59.76 1pys s VAL 185 Cb -0.15 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1pys s VAL 185 CO 0.03 -0.51 0.56 -0.70 0.00 0.00 0.00 175.10 174.48 1pys s GLU 186 N 1.09 4.25 0.41 2.72 2.12 -1.26 -4.41 118.70 123.61 1pys s GLU 186 Ca 0.05 0.70 -0.24 0.00 0.36 0.00 0.00 54.97 55.84 1pys s GLU 186 Cb -0.21 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 1pys s GLU 186 CO -0.05 0.49 1.10 -1.25 -0.54 0.00 0.00 175.26 175.01 1pys s PRO 187 N -0.57 4.06 -0.09 4.30 0.04 -1.26 -5.04 135.00 136.44 1pys s PRO 187 Ca 0.29 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1pys s PRO 187 Cb -0.18 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1pys s PRO 187 CO 0.17 -0.26 0.10 -1.83 0.04 0.00 0.00 177.00 175.22 1pys s GLU 188 N -2.47 3.28 -1.09 4.56 -1.05 -1.26 -5.04 118.70 115.62 1pys s GLU 188 Ca 0.59 -0.25 -0.18 0.00 -0.15 0.00 0.00 54.97 54.97 1pys s GLU 188 Cb -0.26 -3.04 0.11 0.00 -0.44 0.00 0.00 34.13 30.50 1pys s GLU 188 CO 0.32 0.74 1.40 0.00 0.95 0.00 0.00 175.26 178.67 1pys s ALA 189 N -1.03 3.34 -1.00 -0.84 0.00 -1.26 -4.96 121.76 116.01 1pys s ALA 189 Ca 0.16 -2.81 -0.23 0.00 0.00 0.00 0.00 51.96 49.08 1pys s ALA 189 Cb -0.12 -4.31 -0.00 0.00 0.00 0.00 0.00 23.12 18.69 1pys s ALA 189 CO 0.06 -3.16 1.74 0.00 0.00 0.00 0.00 175.76 174.40 1pys s ALA 190 N 3.30 2.21 0.00 0.00 0.00 -1.26 -4.96 121.76 121.05 1pys s ALA 190 Ca 0.43 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1pys s ALA 190 Cb -0.01 -4.56 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 1pys s ALA 190 CO -0.04 -4.27 -0.08 -0.51 0.00 0.00 0.00 175.76 170.86 1pys s LEU 191 N 7.74 3.13 -0.47 0.00 1.43 -1.26 -4.76 118.68 124.49 1pys s LEU 191 Ca 0.59 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1pys s LEU 191 Cb -0.03 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.54 1pys s LEU 191 CO -0.02 0.28 0.26 -0.75 0.23 0.00 0.00 176.35 176.35 1pys s LYS 192 N -1.40 1.46 0.70 1.70 2.20 -1.26 -5.11 119.74 118.03 1pys s LYS 192 Ca 0.17 -2.20 -0.04 0.00 -0.36 0.00 0.00 55.97 53.55 1pys s LYS 192 Cb -0.11 -2.53 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 1pys s LYS 192 CO 0.07 -1.17 0.98 0.00 -0.36 0.00 0.00 175.35 174.87 1pys s ALA 193 N 0.12 3.44 -0.10 3.13 0.00 -1.26 -4.54 121.76 122.55 1pys s ALA 193 Ca 0.19 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1pys s ALA 193 Cb -0.22 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.66 1pys s ALA 193 CO -0.02 -1.33 0.22 -1.83 0.00 0.00 0.00 175.76 172.80 1pys s GLU 194 N -5.15 0.15 -0.33 0.00 -1.05 -1.01 -4.91 118.70 106.41 1pys s GLU 194 Ca 0.63 0.54 -0.28 0.00 -0.15 0.00 0.00 54.97 55.71 1pys s GLU 194 Cb -0.08 -0.13 -0.02 0.00 -0.44 0.00 0.00 34.13 33.45 1pys s GLU 194 CO 0.44 -0.20 1.88 0.00 0.95 0.00 0.00 175.26 178.32 1pys s ALA 195 N 1.58 2.80 0.01 -0.84 0.00 -1.26 -2.96 121.76 121.08 1pys s ALA 195 Ca -0.06 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1pys s ALA 195 Cb -0.11 -4.04 0.05 0.00 0.00 0.00 0.00 23.12 19.02 1pys s ALA 195 CO -0.08 -2.73 0.55 -0.48 0.00 0.00 0.00 175.76 173.02 1pys s LEU 196 N 7.27 -0.16 0.52 0.00 0.05 -1.26 -5.01 118.68 120.10 1pys s LEU 196 Ca 0.83 0.34 -0.21 0.00 0.05 0.00 0.00 54.13 55.14 1pys s LEU 196 Cb -0.24 2.16 -0.06 0.00 -2.05 0.00 0.00 46.19 46.00 1pys s LEU 196 CO 0.33 -0.65 1.17 -2.16 -0.55 0.00 0.00 176.35 174.48 1pys s PRO 197 N -1.91 3.42 -0.07 1.48 0.04 -1.26 -4.69 135.00 132.01 1pys s PRO 197 Ca -0.08 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 1pys s PRO 197 Cb -0.01 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1pys s PRO 197 CO 0.03 -0.82 0.86 -0.51 0.04 0.00 0.00 177.00 176.60 1pys s LEU 198 N -3.57 4.30 0.00 -3.56 1.43 -1.26 -4.93 118.68 111.09 1pys s LEU 198 Ca 0.70 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1pys s LEU 198 Cb -0.27 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1pys s LEU 198 CO 0.31 -0.26 0.42 -0.81 0.23 0.00 0.00 176.35 176.24 1pys n PRO 199 N 4.24 0.75 -3.87 1.29 -0.04 -1.26 -4.82 135.00 131.29 1pys n PRO 199 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 1pys n PRO 199 Cb 0.50 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 1pys n PRO 199 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1pys s PHE 200 N -0.84 0.03 0.29 0.54 -0.12 -1.26 -4.90 117.98 111.72 1pys s PHE 200 Ca 0.00 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1pys s PHE 200 Cb 0.00 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1pys s PHE 200 CO 0.00 -1.33 0.09 0.00 -0.05 0.00 0.00 175.22 173.93 1pys s ALA 201 N -3.32 1.98 -0.05 1.99 0.00 -0.59 -4.95 121.76 116.82 1pys s ALA 201 Ca 0.15 -1.89 0.06 0.00 0.00 0.00 0.00 51.96 50.28 1pys s ALA 201 Cb -0.05 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1pys s ALA 201 CO 0.09 -0.41 -0.24 -1.17 0.00 0.00 0.00 175.76 174.03 1pys s LEU 202 N -3.38 2.04 -0.26 0.00 2.96 -1.26 -0.02 118.68 118.77 1pys s LEU 202 Ca 0.37 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1pys s LEU 202 Cb 0.08 -1.31 0.09 0.00 0.50 0.00 0.00 46.19 45.55 1pys s LEU 202 CO 0.15 0.23 0.10 -0.75 -1.32 0.00 0.00 176.35 174.76 1pys s LYS 203 N -0.14 0.35 -0.60 1.98 2.20 0.17 -4.98 119.74 118.72 1pys s LYS 203 Ca -0.03 -0.56 -0.23 0.00 -0.36 0.00 0.00 55.97 54.79 1pys s LYS 203 Cb -0.13 -1.58 0.06 0.00 -1.51 0.00 0.00 37.83 34.67 1pys s LYS 203 CO 0.03 -0.91 0.92 0.08 -0.36 0.00 0.00 175.35 175.12 1pys s VAL 204 N 1.97 4.41 -1.87 4.02 1.01 -1.26 -1.41 120.40 127.26 1pys s VAL 204 Ca 0.07 -0.15 0.30 0.00 0.00 0.00 0.00 61.98 62.19 1pys s VAL 204 Cb -0.16 -4.59 0.60 0.00 0.00 0.00 0.00 36.38 32.23 1pys s VAL 204 CO -0.26 -1.26 1.96 -0.62 0.00 0.00 0.00 175.10 174.91 1pys n GLU 205 N 7.45 0.92 -3.29 2.72 1.02 0.12 -4.49 120.64 125.08 1pys n GLU 205 Ca -0.02 -0.27 -0.16 0.00 -0.02 0.00 0.00 57.16 56.69 1pys n GLU 205 Cb 0.46 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1pys n GLU 205 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pys s ASP 206 N -2.27 0.74 0.00 1.62 -1.08 -1.23 -4.92 116.67 109.54 1pys s ASP 206 Ca 0.36 -1.77 0.18 0.00 -0.52 0.00 0.00 52.55 50.80 1pys s ASP 206 Cb 0.21 0.66 1.09 0.00 -1.46 0.00 0.00 42.92 43.42 1pys s ASP 206 CO 0.42 -0.22 1.58 -0.81 0.52 0.00 0.00 175.17 176.67 1pys n PRO 207 N 3.90 0.81 -0.01 4.34 -0.04 -1.26 -2.29 135.00 140.45 1pys n PRO 207 Ca 0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1pys n PRO 207 Cb 0.47 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 1pys n PRO 207 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pys n GLU 208 N -0.86 0.69 -0.22 0.54 4.07 -1.26 -3.51 120.64 120.10 1pys n GLU 208 Ca 0.14 0.28 0.11 0.00 -0.06 0.00 0.00 57.16 57.63 1pys n GLU 208 Cb 0.06 -1.75 0.23 0.00 -0.06 0.00 0.00 31.44 29.91 1pys n GLU 208 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pys n GLY 209 N 1.75 1.87 2.69 8.31 0.00 -0.97 -4.54 105.19 114.30 1pys n GLY 209 Ca -0.24 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1pys n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pys n ALA 210 N 1.45 -0.85 0.01 4.61 0.00 -1.05 -3.15 120.51 121.53 1pys n ALA 210 Ca 0.19 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1pys n ALA 210 Cb 0.59 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.83 1pys n ALA 210 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pys n PRO 211 N 1.20 0.01 -3.56 0.00 -0.02 -1.22 -4.43 135.00 126.97 1pys n PRO 211 Ca 0.09 0.45 -0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1pys n PRO 211 Cb 0.65 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1pys n PRO 211 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pys s HIS 212 N -2.91 -1.16 0.01 6.00 2.46 -1.25 -4.08 115.29 114.35 1pys s HIS 212 Ca -0.00 1.98 0.02 0.00 0.47 0.00 0.00 55.06 57.53 1pys s HIS 212 Cb 0.00 0.69 -0.01 0.00 -0.13 0.00 0.00 32.58 33.13 1pys s HIS 212 CO 0.01 -0.58 -0.07 0.12 -2.47 0.00 0.00 174.74 171.75 1pys s PHE 213 N 2.77 0.64 -0.05 3.88 2.19 0.50 -1.32 117.98 126.58 1pys s PHE 213 Ca -0.04 -0.19 -0.07 0.00 0.33 0.00 0.00 56.93 56.95 1pys s PHE 213 Cb -0.10 -0.40 0.02 0.00 -1.31 0.00 0.00 43.02 41.22 1pys s PHE 213 CO -0.19 -0.02 0.19 0.95 1.83 0.00 0.00 175.22 177.98 1pys s THR 214 N -0.41 0.02 0.00 0.12 -4.23 -0.96 -0.27 115.64 109.92 1pys s THR 214 Ca 0.00 -0.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1pys s THR 214 Cb -0.04 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 1pys s THR 214 CO -0.00 -0.11 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.03 1pys s LEU 215 N -0.33 2.07 0.31 4.79 1.43 -0.02 -2.12 118.68 124.82 1pys s LEU 215 Ca -0.04 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1pys s LEU 215 Cb -0.03 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1pys s LEU 215 CO 0.01 0.19 -0.10 -0.83 0.23 0.00 0.00 176.35 175.85 1pys s GLY 216 N -0.65 2.00 -0.11 -3.19 0.00 -0.92 -1.12 107.32 103.33 1pys s GLY 216 Ca 0.07 -1.98 0.01 0.00 0.00 0.00 0.00 44.72 42.81 1pys s GLY 216 CO 0.00 -1.95 -0.14 -0.47 0.00 0.00 0.00 173.10 170.54 1pys s TYR 217 N -2.73 1.91 -0.03 1.90 5.04 -1.26 -1.63 117.35 120.54 1pys s TYR 217 Ca 0.31 -0.92 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 1pys s TYR 217 Cb 0.02 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.92 1pys s TYR 217 CO 0.14 -0.50 -0.11 0.00 -1.34 0.00 0.00 175.55 173.74 1pys s ALA 218 N 1.12 1.06 0.19 3.97 0.00 -1.20 -1.47 121.76 125.43 1pys s ALA 218 Ca -0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1pys s ALA 218 Cb -0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1pys s ALA 218 CO -0.03 0.17 0.25 -0.59 0.00 0.00 0.00 175.76 175.55 1pys s PHE 219 N 0.22 0.72 -0.41 0.00 -0.71 0.06 -1.73 117.98 116.14 1pys s PHE 219 Ca -0.05 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 1pys s PHE 219 Cb -0.10 -0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.48 1pys s PHE 219 CO 0.01 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.57 1pys n GLY 220 N -0.26 0.51 3.76 1.99 0.00 -0.30 0.01 105.19 110.91 1pys n GLY 220 Ca -0.02 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1pys n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pys s LEU 221 N -1.03 4.03 -0.46 0.99 1.43 -0.19 -4.52 118.68 118.93 1pys s LEU 221 Ca 0.00 2.54 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1pys s LEU 221 Cb 0.00 -4.15 0.14 0.00 0.03 0.00 0.00 46.19 42.21 1pys s LEU 221 CO 0.00 -1.09 0.25 -0.60 0.23 0.00 0.00 176.35 175.14 1pys s ARG 222 N -2.62 1.45 0.05 1.70 6.06 -1.06 -4.65 118.95 119.88 1pys s ARG 222 Ca 0.64 -2.16 -0.31 0.00 -2.50 0.00 0.00 55.73 51.40 1pys s ARG 222 Cb -0.35 -2.55 -0.07 0.00 0.06 0.00 0.00 34.95 32.05 1pys s ARG 222 CO 0.43 -1.16 1.44 0.08 -2.50 0.00 0.00 175.30 173.59 1pys s VAL 223 N 0.18 3.46 0.32 7.11 1.01 -1.26 -4.67 120.40 126.53 1pys s VAL 223 Ca 0.18 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1pys s VAL 223 Cb -0.24 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1pys s VAL 223 CO -0.00 0.02 0.50 0.00 0.00 0.00 0.00 175.10 175.62 1pys n ALA 224 N 4.96 -0.65 -1.64 5.51 0.00 -1.26 -4.91 120.51 122.51 1pys n ALA 224 Ca 0.13 -1.32 -0.33 0.00 0.00 0.00 0.00 53.44 51.93 1pys n ALA 224 Cb 0.43 1.06 0.02 0.00 0.00 0.00 0.00 19.45 20.95 1pys n ALA 224 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1pys s PRO 225 N -2.52 3.23 0.62 0.00 0.02 -1.26 0.90 135.00 135.99 1pys s PRO 225 Ca 0.22 1.25 -0.14 0.00 0.02 0.00 0.00 61.00 62.36 1pys s PRO 225 Cb -0.02 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1pys s PRO 225 CO 0.16 -0.89 1.05 -1.12 -0.33 0.00 0.00 177.00 175.87 1pys s SER 226 N -2.70 5.75 0.59 2.53 0.01 -1.26 -4.55 113.70 114.07 1pys s SER 226 Ca 0.65 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.40 1pys s SER 226 Cb -0.17 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1pys s SER 226 CO 0.37 -1.19 1.33 -2.65 0.41 0.00 0.00 173.24 171.52 1pys n PRO 227 N -2.41 1.45 -0.32 12.44 -0.02 -1.26 -4.35 135.00 140.53 1pys n PRO 227 Ca 0.08 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 1pys n PRO 227 Cb 0.53 -2.56 0.42 0.00 -0.02 0.00 0.00 33.50 31.87 1pys n PRO 227 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1pys h LEU 228 N 1.04 0.60 -1.28 2.45 3.38 -1.96 -0.05 115.31 119.50 1pys h LEU 228 Ca -0.51 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1pys h LEU 228 Cb 1.32 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1pys h LEU 228 CO 0.55 0.19 0.30 4.11 0.09 0.00 0.00 178.44 183.69 1pys h TRP 229 N 0.57 0.78 0.00 1.13 5.08 -1.89 -0.51 115.95 121.12 1pys h TRP 229 Ca 0.56 -0.01 -0.14 0.00 1.08 0.00 0.00 58.89 60.37 1pys h TRP 229 Cb 1.14 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 27.03 1pys h TRP 229 CO -0.00 0.56 -0.68 1.98 -1.28 0.00 0.00 178.44 179.01 1pys h MET 230 N 0.80 0.00 -0.22 0.12 4.05 -1.37 -2.86 114.93 115.46 1pys h MET 230 Ca 0.20 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.50 1pys h MET 230 Cb 0.04 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1pys h MET 230 CO -0.03 0.68 -0.35 1.96 0.23 0.00 0.00 176.91 179.40 1pys h GLN 231 N 0.00 0.62 -0.41 0.39 4.20 -0.63 -2.21 115.11 117.07 1pys h GLN 231 Ca -0.01 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1pys h GLN 231 Cb 1.45 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 1pys h GLN 231 CO 0.09 0.99 0.26 -0.09 -0.67 0.00 0.00 178.83 179.41 1pys h ARG 232 N 0.32 0.55 -0.40 1.46 2.43 -1.16 -2.07 114.38 115.52 1pys h ARG 232 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1pys h ARG 232 Cb 0.93 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1pys h ARG 232 CO 0.08 0.39 0.24 0.00 -1.51 0.00 0.00 179.97 179.17 1pys h ALA 233 N 1.13 0.51 -0.39 2.80 0.00 -1.48 -1.50 119.26 120.34 1pys h ALA 233 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1pys h ALA 233 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pys h ALA 233 CO -0.03 0.00 0.03 -0.07 0.00 0.00 0.00 179.25 179.18 1pys h LEU 234 N 0.53 0.65 -0.68 0.00 3.38 -1.28 -1.82 115.31 116.09 1pys h LEU 234 Ca 0.14 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pys h LEU 234 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1pys h LEU 234 CO -0.03 0.78 0.45 -0.26 0.09 0.00 0.00 178.44 179.47 1pys h PHE 235 N 0.50 0.85 -0.35 1.13 0.04 -0.93 0.12 116.94 118.30 1pys h PHE 235 Ca 0.11 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 1pys h PHE 235 Cb 0.42 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1pys h PHE 235 CO 0.03 0.54 0.03 0.00 -0.60 0.00 0.00 178.31 178.31 1pys h ALA 236 N 1.25 1.41 0.00 2.45 0.00 -1.21 -1.37 119.26 121.79 1pys h ALA 236 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pys h ALA 236 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pys h ALA 236 CO -0.05 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1pys n ALA 237 N -2.48 2.40 -0.78 0.00 0.00 -0.35 -4.81 120.51 114.48 1pys n ALA 237 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pys n ALA 237 Cb 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1pys n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pys n GLY 238 N 0.50 0.56 3.38 0.00 0.00 -0.52 -4.73 105.19 104.39 1pys n GLY 238 Ca 0.16 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1pys n GLY 238 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pys s MET 239 N -0.84 1.56 -0.23 1.61 -1.94 0.26 -4.99 119.30 114.73 1pys s MET 239 Ca 0.00 -1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 52.61 1pys s MET 239 Cb 0.00 -1.94 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 1pys s MET 239 CO 0.00 0.47 0.19 0.50 -0.01 0.00 0.00 175.02 176.18 1pys s ARG 240 N -1.78 4.11 0.23 2.03 3.52 -1.26 -2.28 118.95 123.52 1pys s ARG 240 Ca 0.13 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 1pys s ARG 240 Cb -0.10 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1pys s ARG 240 CO 0.05 0.09 1.31 -1.25 -0.81 0.00 0.00 175.30 174.69 1pys s PRO 241 N 0.97 4.38 -0.10 5.12 0.04 -1.26 -4.97 135.00 139.17 1pys s PRO 241 Ca 0.09 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 1pys s PRO 241 Cb -0.13 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1pys s PRO 241 CO 0.04 -0.24 -0.24 -0.89 0.04 0.00 0.00 177.00 175.72 1pys n ILE 242 N 2.19 1.36 -3.81 0.56 2.08 -1.26 -5.06 119.36 115.42 1pys n ILE 242 Ca 0.05 0.16 -0.02 0.00 0.56 0.00 0.00 62.75 63.49 1pys n ILE 242 Cb 0.42 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 1pys n ILE 242 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1pys s ASN 243 N -6.05 -0.06 0.04 4.38 2.20 -1.26 -4.93 114.94 109.25 1pys s ASN 243 Ca -0.21 -0.47 -0.07 0.00 -0.94 0.00 0.00 52.86 51.17 1pys s ASN 243 Cb 0.04 0.41 -0.02 0.00 -2.00 0.00 0.00 41.25 39.69 1pys s ASN 243 CO 0.30 -0.80 0.55 -3.20 -2.94 0.00 0.00 177.10 171.01 1pys n ASN 244 N -0.87 -0.24 0.05 3.54 2.85 0.26 -1.31 115.26 119.55 1pys n ASN 244 Ca -0.04 0.60 -0.21 0.00 -0.11 0.00 0.00 54.58 54.83 1pys n ASN 244 Cb 0.60 -0.15 -0.15 0.00 1.24 0.00 0.00 39.78 41.32 1pys n ASN 244 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1pys h VAL 245 N 0.00 1.41 -0.76 3.44 2.07 -1.94 -3.21 116.25 117.26 1pys h VAL 245 Ca 0.04 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 1pys h VAL 245 Cb 0.09 3.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1pys h VAL 245 CO -0.21 0.72 0.46 0.58 0.02 0.00 0.00 177.57 179.14 1pys h VAL 246 N -0.34 1.21 -0.70 2.57 2.07 -1.85 -2.60 116.25 116.61 1pys h VAL 246 Ca -0.18 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1pys h VAL 246 Cb 1.69 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1pys h VAL 246 CO 0.14 0.22 0.46 0.44 0.02 0.00 0.00 177.57 178.85 1pys h ASP 247 N 1.03 0.80 -0.89 0.57 3.32 -1.36 -1.21 116.42 118.68 1pys h ASP 247 Ca 0.27 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.43 1pys h ASP 247 Cb -0.05 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.22 1pys h ASP 247 CO -0.05 0.58 0.51 0.58 -1.72 0.00 0.00 179.24 179.14 1pys h VAL 248 N 0.94 0.84 0.00 -1.35 2.07 -1.46 0.84 116.25 118.13 1pys h VAL 248 Ca 0.26 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1pys h VAL 248 Cb -0.10 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 1pys h VAL 248 CO -0.06 0.14 -0.26 0.71 0.02 0.00 0.00 177.57 178.13 1pys h THR 249 N 0.79 0.95 0.19 2.57 1.35 -1.03 -0.74 112.91 116.99 1pys h THR 249 Ca 0.46 -0.95 -0.32 0.00 -0.55 0.00 0.00 66.41 65.04 1pys h THR 249 Cb 0.53 1.55 0.02 0.00 -1.73 0.00 0.00 68.15 68.51 1pys h THR 249 CO -0.30 0.25 -1.52 0.78 -0.25 0.00 0.00 175.52 174.48 1pys h ASN 250 N 0.00 0.61 0.03 5.36 2.35 -0.87 -2.89 115.58 120.17 1pys h ASN 250 Ca -0.00 -0.75 -0.00 0.00 -0.55 0.00 0.00 56.30 54.99 1pys h ASN 250 Cb 0.53 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1pys h ASN 250 CO 0.03 1.61 -0.01 0.22 -1.65 0.00 0.00 177.43 177.63 1pys h TYR 251 N 0.11 -0.03 -0.06 1.19 3.20 -0.56 -2.29 116.97 118.53 1pys h TYR 251 Ca -0.25 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.53 1pys h TYR 251 Cb 2.09 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.36 1pys h TYR 251 CO 0.10 0.05 -0.34 0.28 -1.64 0.00 0.00 178.16 176.61 1pys h VAL 252 N -0.10 1.26 0.23 1.81 2.07 -1.26 -0.19 116.25 120.07 1pys h VAL 252 Ca -0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1pys h VAL 252 Cb 0.09 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1pys h VAL 252 CO 0.01 0.37 -0.11 -0.03 0.02 0.00 0.00 177.57 177.82 1pys h MET 253 N 0.10 -0.30 -0.61 1.57 1.85 -1.30 -1.10 114.93 115.14 1pys h MET 253 Ca 0.01 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 1pys h MET 253 Cb 0.65 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.72 1pys h MET 253 CO 0.05 -0.12 0.20 -0.07 -0.40 0.00 0.00 176.91 176.57 1pys h LEU 254 N -0.42 0.85 -1.16 3.39 3.38 -1.30 0.79 115.31 120.84 1pys h LEU 254 Ca -0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pys h LEU 254 Cb 0.32 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1pys h LEU 254 CO 0.05 0.79 0.57 -0.08 0.09 0.00 0.00 178.44 179.86 1pys h GLU 255 N 0.89 1.10 0.00 1.13 4.81 -0.66 0.81 114.58 122.67 1pys h GLU 255 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1pys h GLU 255 Cb 0.25 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pys h GLU 255 CO -0.01 0.73 -0.32 2.89 -0.73 0.00 0.00 179.01 181.57 1pys n ARG 256 N -4.42 0.41 -3.73 1.92 1.85 -0.45 -0.74 116.66 111.50 1pys n ARG 256 Ca 0.10 -1.35 -0.23 0.00 -1.00 0.00 0.00 57.85 55.37 1pys n ARG 256 Cb 0.05 -0.76 0.04 0.00 -1.05 0.00 0.00 32.46 30.74 1pys n ARG 256 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pys n ALA 257 N -0.36 -1.77 -3.55 2.89 0.00 0.27 -4.78 120.51 113.21 1pys n ALA 257 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 1pys n ALA 257 Cb 0.65 -2.91 -0.14 0.00 0.00 0.00 0.00 19.45 17.05 1pys n ALA 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pys s GLN 258 N -6.12 0.43 0.67 0.00 2.00 -1.15 -4.69 119.66 110.81 1pys s GLN 258 Ca 0.22 -0.94 -0.16 0.00 -2.00 0.00 0.00 55.36 52.49 1pys s GLN 258 Cb -0.11 -1.38 0.01 0.00 0.80 0.00 0.00 33.01 32.33 1pys s GLN 258 CO 0.80 -1.08 1.15 -2.14 -0.50 0.00 0.00 175.29 173.53 1pys s PRO 259 N 1.61 2.60 0.12 1.67 0.02 -1.26 -3.81 135.00 135.95 1pys s PRO 259 Ca 0.12 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.50 1pys s PRO 259 Cb -0.19 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1pys s PRO 259 CO -0.21 -1.44 0.56 0.00 -0.33 0.00 0.00 177.00 175.57 1pys s MET 260 N -3.91 1.19 -0.07 5.54 0.23 -1.26 -4.53 119.30 116.50 1pys s MET 260 Ca 0.71 -0.43 -0.06 0.00 -1.03 0.00 0.00 55.69 54.88 1pys s MET 260 Cb -0.25 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 1pys s MET 260 CO 0.41 -0.49 0.18 -1.58 -2.03 0.00 0.00 175.02 171.51 1pys s HIS 261 N -3.39 -0.20 -0.20 3.16 2.46 -0.85 -4.85 115.29 111.41 1pys s HIS 261 Ca -0.00 0.50 -0.12 0.00 0.47 0.00 0.00 55.06 55.91 1pys s HIS 261 Cb -0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 32.58 32.45 1pys s HIS 261 CO -0.10 -0.11 0.21 0.00 -2.47 0.00 0.00 174.74 172.27 1pys s ALA 262 N 0.26 3.63 -0.07 1.58 0.00 -1.26 -0.67 121.76 125.22 1pys s ALA 262 Ca -0.01 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1pys s ALA 262 Cb -0.03 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1pys s ALA 262 CO -0.01 0.01 -0.08 -0.06 0.00 0.00 0.00 175.76 175.62 1pys s PHE 263 N 0.66 2.92 -0.14 0.00 0.08 0.02 -4.39 117.98 117.12 1pys s PHE 263 Ca 0.11 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.84 1pys s PHE 263 Cb -0.13 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1pys s PHE 263 CO 0.02 0.28 1.28 0.34 -0.10 0.00 0.00 175.22 177.04 1pys s ASP 264 N -0.70 6.94 0.31 1.36 -1.08 -0.15 -1.00 116.67 122.35 1pys s ASP 264 Ca 0.11 1.74 0.08 0.00 -0.52 0.00 0.00 52.55 53.96 1pys s ASP 264 Cb -0.11 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.64 1pys s ASP 264 CO 0.02 -0.75 1.75 -0.07 0.52 0.00 0.00 175.17 176.63 1pys h LEU 265 N 9.55 0.71 -1.57 -1.34 3.38 -1.69 -0.92 115.31 123.42 1pys h LEU 265 Ca -0.28 0.12 0.51 0.00 0.09 0.00 0.00 57.88 58.32 1pys h LEU 265 Cb 1.11 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1pys h LEU 265 CO 0.96 0.17 1.06 0.54 0.09 0.00 0.00 178.44 181.26 1pys n ARG 266 N -4.84 -0.02 0.00 1.13 1.74 -1.26 0.07 116.66 113.48 1pys n ARG 266 Ca 0.26 1.19 0.10 0.00 -0.77 0.00 0.00 57.85 58.63 1pys n ARG 266 Cb 0.68 -2.47 -0.05 0.00 -1.02 0.00 0.00 32.46 29.61 1pys n ARG 266 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pys n PHE 267 N -4.44 0.00 0.08 -1.55 3.72 -0.35 -4.52 117.46 110.40 1pys n PHE 267 Ca 0.42 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.70 1pys n PHE 267 Cb 1.71 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 40.18 1pys n PHE 267 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1pys h VAL 268 N 1.39 0.80 0.00 -4.37 2.07 -0.43 -3.46 116.25 112.25 1pys h VAL 268 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1pys h VAL 268 Cb 0.62 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1pys h VAL 268 CO 0.00 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1pys n GLY 269 N 0.37 0.83 0.17 2.17 0.00 -1.23 -3.04 105.19 104.45 1pys n GLY 269 Ca -0.08 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.87 1pys n GLY 269 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pys h GLU 270 N 0.00 0.00 0.00 1.61 5.08 -0.93 -3.47 114.58 116.87 1pys h GLU 270 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pys h GLU 270 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pys h GLU 270 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1pys n GLY 271 N 1.18 0.51 3.85 -3.84 0.00 -1.25 -1.55 105.19 104.09 1pys n GLY 271 Ca 0.04 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1pys n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pys s ILE 272 N -2.00 5.12 -0.17 -0.61 -1.09 0.98 -2.69 121.20 120.73 1pys s ILE 272 Ca 0.00 0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 59.03 1pys s ILE 272 Cb 0.00 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1pys s ILE 272 CO 0.00 0.50 0.01 0.00 -1.23 0.00 0.00 174.94 174.21 1pys s ALA 273 N -1.17 1.09 -0.34 9.38 0.00 0.39 -0.65 121.76 130.46 1pys s ALA 273 Ca 0.25 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 1pys s ALA 273 Cb -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1pys s ALA 273 CO 0.14 -0.98 0.74 0.08 0.00 0.00 0.00 175.76 175.74 1pys s VAL 274 N 1.81 4.80 0.26 0.00 1.01 -0.50 -0.34 120.40 127.43 1pys s VAL 274 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 62.74 1pys s VAL 274 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1pys s VAL 274 CO -0.07 -0.32 0.57 0.00 0.00 0.00 0.00 175.10 175.27 1pys s ARG 275 N 2.94 1.62 0.61 2.72 1.70 -0.79 0.13 118.95 127.89 1pys s ARG 275 Ca 0.30 -1.14 -0.14 0.00 -0.47 0.00 0.00 55.73 54.28 1pys s ARG 275 Cb -0.14 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1pys s ARG 275 CO 0.15 -0.70 1.05 0.50 -1.08 0.00 0.00 175.30 175.21 1pys s ARG 276 N -3.97 3.30 0.48 3.89 6.06 -1.26 0.10 118.95 127.54 1pys s ARG 276 Ca 0.18 1.09 -0.20 0.00 -2.50 0.00 0.00 55.73 54.29 1pys s ARG 276 Cb -0.03 -2.04 -0.09 0.00 0.06 0.00 0.00 34.95 32.86 1pys s ARG 276 CO 0.08 -0.82 1.03 0.00 -2.50 0.00 0.00 175.30 173.09 1pys s ALA 277 N -2.67 2.89 0.28 6.12 0.00 0.01 -4.77 121.76 123.62 1pys s ALA 277 Ca 0.61 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1pys s ALA 277 Cb -0.14 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1pys s ALA 277 CO 0.42 -0.26 0.56 1.03 0.00 0.00 0.00 175.76 177.50 1pys s ARG 278 N -3.22 3.67 0.17 0.00 1.81 -1.26 -4.21 118.95 115.90 1pys s ARG 278 Ca 0.67 0.08 -0.33 0.00 -1.72 0.00 0.00 55.73 54.42 1pys s ARG 278 Cb -0.16 -2.64 -0.15 0.00 -0.45 0.00 0.00 34.95 31.55 1pys s ARG 278 CO 0.19 0.23 1.27 0.39 -0.68 0.00 0.00 175.30 176.69 1pys n GLU 279 N -0.77 1.37 -0.89 3.54 1.02 -1.26 -1.41 120.64 122.24 1pys n GLU 279 Ca -0.01 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1pys n GLU 279 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1pys n GLU 279 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pys n GLY 280 N 2.23 0.23 3.76 0.62 0.00 -1.25 -4.96 105.19 105.80 1pys n GLY 280 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pys n GLY 280 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pys s GLU 281 N -1.11 4.37 0.31 1.61 2.12 -0.50 -4.83 118.70 120.67 1pys s GLU 281 Ca 0.00 2.17 0.09 0.00 0.36 0.00 0.00 54.97 57.59 1pys s GLU 281 Cb 0.00 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1pys s GLU 281 CO 0.00 -0.21 0.10 1.03 -0.54 0.00 0.00 175.26 175.64 1pys s ARG 282 N -1.22 2.40 -0.24 4.30 0.52 -1.26 -0.22 118.95 123.23 1pys s ARG 282 Ca 0.52 -1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 1pys s ARG 282 Cb -0.39 -2.20 0.07 0.00 0.52 0.00 0.00 34.95 32.95 1pys s ARG 282 CO 0.48 0.21 0.58 -1.17 0.02 0.00 0.00 175.30 175.42 1pys s LEU 283 N -3.79 -0.61 -0.60 2.53 0.20 -0.84 -4.71 118.68 110.85 1pys s LEU 283 Ca 0.35 1.27 -0.17 0.00 0.69 0.00 0.00 54.13 56.28 1pys s LEU 283 Cb -0.04 1.98 0.13 0.00 -0.43 0.00 0.00 46.19 47.82 1pys s LEU 283 CO 0.22 -0.22 0.62 -0.75 -0.29 0.00 0.00 176.35 175.93 1pys s LYS 284 N 1.56 3.09 0.62 1.98 2.20 -1.26 0.16 119.74 128.08 1pys s LYS 284 Ca -0.10 -1.65 -0.16 0.00 -0.36 0.00 0.00 55.97 53.70 1pys s LYS 284 Cb -0.06 -4.32 -0.02 0.00 -1.51 0.00 0.00 37.83 31.92 1pys s LYS 284 CO -0.17 -1.41 1.09 0.95 -0.36 0.00 0.00 175.35 175.44 1pys s THR 285 N 1.87 3.50 0.29 3.43 -4.23 -0.72 -1.18 115.64 118.59 1pys s THR 285 Ca 0.08 0.71 0.19 0.00 -1.18 0.00 0.00 61.69 61.49 1pys s THR 285 Cb -0.25 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.65 1pys s THR 285 CO 0.03 -0.41 1.12 0.18 -0.54 0.00 0.00 174.62 175.00 1pys n LEU 286 N -2.18 0.21 0.02 4.79 4.77 0.45 0.63 117.00 125.68 1pys n LEU 286 Ca 0.10 1.10 0.03 0.00 -0.03 0.00 0.00 56.01 57.21 1pys n LEU 286 Cb 0.52 -0.54 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 1pys n LEU 286 CO 0.47 -1.22 0.61 -0.90 -1.33 0.00 0.00 177.39 175.02 1pys n ASP 287 N -4.40 0.07 0.00 -1.43 5.68 -1.26 -4.84 116.55 110.37 1pys n ASP 287 Ca 0.28 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 1pys n ASP 287 Cb 1.01 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1pys n ASP 287 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pys n GLY 288 N -0.98 2.43 3.72 6.12 0.00 0.20 -5.05 105.19 111.64 1pys n GLY 288 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pys n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pys s VAL 289 N -2.55 4.22 -0.37 1.61 1.01 -1.24 -4.83 120.40 118.26 1pys s VAL 289 Ca 0.00 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 1pys s VAL 289 Cb 0.00 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1pys s VAL 289 CO 0.00 0.17 0.64 -0.70 0.00 0.00 0.00 175.10 175.21 1pys s GLU 290 N 0.67 3.62 0.41 2.72 2.12 -1.26 -1.75 118.70 125.23 1pys s GLU 290 Ca 0.54 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.94 1pys s GLU 290 Cb -0.27 -3.83 -0.00 0.00 0.26 0.00 0.00 34.13 30.28 1pys s GLU 290 CO 0.30 -0.78 0.48 1.03 -0.54 0.00 0.00 175.26 175.75 1pys s ARG 291 N 2.72 2.73 -0.31 4.30 0.52 0.12 -4.94 118.95 124.09 1pys s ARG 291 Ca 0.24 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 1pys s ARG 291 Cb -0.14 -2.61 0.09 0.00 0.52 0.00 0.00 34.95 32.81 1pys s ARG 291 CO 0.15 -0.20 -0.00 0.99 0.02 0.00 0.00 175.30 176.26 1pys s THR 292 N -2.38 2.15 0.38 0.02 2.01 -1.26 -1.98 115.64 114.57 1pys s THR 292 Ca 0.51 -2.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.19 1pys s THR 292 Cb -0.07 -2.48 -0.11 0.00 0.01 0.00 0.00 72.50 69.85 1pys s THR 292 CO 0.31 -0.41 1.44 0.18 -0.69 0.00 0.00 174.62 175.45 1pys n LEU 293 N 4.35 4.57 -4.85 4.42 4.77 0.69 -4.97 117.00 125.99 1pys n LEU 293 Ca -0.02 1.21 -0.35 0.00 -0.03 0.00 0.00 56.01 56.82 1pys n LEU 293 Cb 0.42 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 1pys n LEU 293 CO 0.21 -0.01 -0.20 -2.28 -1.33 0.00 0.00 177.39 173.78 1pys s HIS 294 N -1.12 3.48 -0.23 -1.77 5.65 -1.26 -3.97 115.29 116.07 1pys s HIS 294 Ca 0.55 0.39 0.04 0.00 0.25 0.00 0.00 55.06 56.28 1pys s HIS 294 Cb -0.49 -1.86 0.22 0.00 -1.18 0.00 0.00 32.58 29.27 1pys s HIS 294 CO 0.63 0.65 0.90 -0.35 -0.65 0.00 0.00 174.74 175.92 1pys n PRO 295 N 1.56 0.03 -0.17 2.88 -0.04 -1.26 0.14 135.00 138.14 1pys n PRO 295 Ca -0.16 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1pys n PRO 295 Cb 0.54 -1.92 0.17 0.00 -0.04 0.00 0.00 33.50 32.24 1pys n PRO 295 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pys n GLU 296 N -1.53 2.27 -3.07 0.54 1.02 -1.26 -4.35 120.64 114.26 1pys n GLU 296 Ca -0.00 -2.01 -0.41 0.00 -0.02 0.00 0.00 57.16 54.72 1pys n GLU 296 Cb 0.33 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 1pys n GLU 296 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pys s ASP 297 N -1.13 6.71 0.42 1.62 1.01 0.12 -4.86 116.67 120.56 1pys s ASP 297 Ca 0.29 0.86 -0.25 0.00 0.71 0.00 0.00 52.55 54.16 1pys s ASP 297 Cb 0.16 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 1pys s ASP 297 CO 0.22 -0.34 1.21 -0.22 0.21 0.00 0.00 175.17 176.26 1pys s LEU 298 N 2.18 4.15 0.01 1.23 1.98 -1.26 -0.81 118.68 126.15 1pys s LEU 298 Ca 0.30 2.44 -0.01 0.00 -2.89 0.00 0.00 54.13 53.97 1pys s LEU 298 Cb -0.16 -4.04 -0.01 0.00 0.66 0.00 0.00 46.19 42.64 1pys s LEU 298 CO 0.10 -0.81 0.01 -0.69 -1.89 0.00 0.00 176.35 173.07 1pys s VAL 299 N -1.39 0.06 -0.25 1.68 1.01 0.11 -2.68 120.40 118.94 1pys s VAL 299 Ca 0.59 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1pys s VAL 299 Cb -0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1pys s VAL 299 CO 0.41 -0.27 0.29 -0.63 0.00 0.00 0.00 175.10 174.90 1pys s ILE 300 N -0.80 5.25 0.10 2.22 -1.09 -0.58 -1.88 121.20 124.42 1pys s ILE 300 Ca -0.09 0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.82 1pys s ILE 300 Cb -0.05 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1pys s ILE 300 CO -0.00 0.24 -0.14 0.00 -1.23 0.00 0.00 174.94 173.81 1pys s ALA 301 N 1.58 1.35 0.15 9.38 0.00 0.54 -0.54 121.76 134.22 1pys s ALA 301 Ca 0.13 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.98 1pys s ALA 301 Cb -0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1pys s ALA 301 CO 0.08 0.11 -0.09 0.20 0.00 0.00 0.00 175.76 176.07 1pys s GLY 302 N -2.21 1.75 0.16 0.00 0.00 -0.38 0.15 107.32 106.78 1pys s GLY 302 Ca 0.05 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.45 1pys s GLY 302 CO 0.02 -1.38 -0.12 0.66 0.00 0.00 0.00 173.10 172.28 1pys s TRP 303 N -1.51 1.44 -0.21 1.90 -2.14 -1.10 -0.64 118.94 116.67 1pys s TRP 303 Ca 0.24 -0.65 -0.04 0.00 2.66 0.00 0.00 56.10 58.31 1pys s TRP 303 Cb -0.10 -0.71 0.10 0.00 -3.10 0.00 0.00 33.47 29.66 1pys s TRP 303 CO 0.15 0.18 0.22 0.50 -2.66 0.00 0.00 176.95 175.34 1pys s ARG 304 N -3.43 0.20 5.73 3.25 3.52 0.53 -0.18 118.95 128.56 1pys s ARG 304 Ca 0.16 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1pys s ARG 304 Cb -0.00 -1.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.20 1pys s ARG 304 CO 0.03 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1pys n GLY 305 N 5.32 1.40 0.51 8.12 0.00 -1.26 -1.58 105.19 117.70 1pys n GLY 305 Ca -0.05 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1pys n GLY 305 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pys n GLU 306 N 0.00 1.55 -5.01 1.61 -0.58 -1.26 -4.99 120.64 111.96 1pys n GLU 306 Ca 0.00 -3.13 -0.32 0.00 -0.42 0.00 0.00 57.16 53.29 1pys n GLU 306 Cb 0.00 -1.61 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 1pys n GLU 306 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1pys s GLU 307 N -3.15 2.44 -0.12 3.49 2.02 -0.61 -5.11 118.70 117.65 1pys s GLU 307 Ca 0.37 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.59 1pys s GLU 307 Cb 0.35 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1pys s GLU 307 CO -0.04 0.59 -0.05 -1.12 0.02 0.00 0.00 175.26 174.65 1pys s SER 308 N -0.64 2.24 0.05 -0.19 0.01 -1.26 -0.34 113.70 113.57 1pys s SER 308 Ca 0.10 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.07 1pys s SER 308 Cb -0.11 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 1pys s SER 308 CO 0.00 -0.15 -0.16 0.72 0.41 0.00 0.00 173.24 174.06 1pys s PHE 309 N 1.74 2.61 -0.00 2.43 -0.71 0.18 -4.96 117.98 119.28 1pys s PHE 309 Ca 0.04 -0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.41 1pys s PHE 309 Cb -0.13 -1.46 -0.05 0.00 -1.21 0.00 0.00 43.02 40.17 1pys s PHE 309 CO -0.08 0.30 1.29 -2.14 -1.34 0.00 0.00 175.22 173.26 1pys s PRO 310 N -1.60 4.33 -0.11 1.99 0.02 -1.26 -1.25 135.00 137.12 1pys s PRO 310 Ca 0.16 1.83 0.20 0.00 0.02 0.00 0.00 61.00 63.21 1pys s PRO 310 Cb -0.11 -3.51 -0.29 0.00 0.02 0.00 0.00 34.50 30.61 1pys s PRO 310 CO 0.07 -0.47 0.28 1.28 -0.33 0.00 0.00 177.00 177.83 1pys n LEU 311 N 5.00 0.00 -3.61 -5.54 4.77 0.30 -4.89 117.00 113.03 1pys n LEU 311 Ca 0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1pys n LEU 311 Cb 0.45 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1pys n LEU 311 CO 0.57 0.23 1.15 -0.83 -1.33 0.00 0.00 177.39 177.18 1pys s GLY 312 N -4.93 -0.31 -0.51 -0.72 0.00 -0.98 -0.60 107.32 99.27 1pys s GLY 312 Ca -0.09 1.53 -0.26 0.00 0.00 0.00 0.00 44.72 45.90 1pys s GLY 312 CO 0.86 0.47 1.01 1.08 0.00 0.00 0.00 173.10 176.51 1pys s LEU 313 N -2.36 3.88 -0.24 0.66 1.43 0.15 -1.53 118.68 120.67 1pys s LEU 313 Ca 0.12 0.03 -0.41 0.00 -1.03 0.00 0.00 54.13 52.84 1pys s LEU 313 Cb 0.02 -3.13 -0.17 0.00 0.03 0.00 0.00 46.19 42.93 1pys s LEU 313 CO -0.04 -1.21 1.56 0.00 0.23 0.00 0.00 176.35 176.89 1pys n ALA 314 N 7.59 -0.99 -1.45 4.21 0.00 -1.09 -1.49 120.51 127.27 1pys n ALA 314 Ca 0.06 0.46 -0.16 0.00 0.00 0.00 0.00 53.44 53.80 1pys n ALA 314 Cb 0.48 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.79 1pys n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pys n GLY 315 N 3.56 1.53 1.46 0.00 0.00 -1.26 -4.72 105.19 105.75 1pys n GLY 315 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pys n GLY 315 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pys n VAL 316 N -2.17 0.63 -3.61 1.61 0.31 -0.56 -3.04 118.33 111.51 1pys n VAL 316 Ca -0.16 0.21 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 1pys n VAL 316 Cb 0.59 -1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 32.38 1pys n VAL 316 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1pys s MET 317 N -1.89 0.88 0.44 5.55 0.00 -0.71 -4.48 119.30 119.08 1pys s MET 317 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 55.69 56.01 1pys s MET 317 Cb 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 34.83 35.23 1pys s MET 317 CO 0.00 -0.23 0.67 0.20 0.00 0.00 0.00 175.02 175.66 1pys s GLY 318 N -0.80 1.53 0.56 2.11 0.00 -1.26 0.30 107.32 109.75 1pys s GLY 318 Ca -0.09 -0.98 -0.16 0.00 0.00 0.00 0.00 44.72 43.49 1pys s GLY 318 CO 0.06 -0.82 1.03 -0.32 0.00 0.00 0.00 173.10 173.05 1pys s GLY 319 N -4.18 2.13 0.36 0.20 0.00 0.23 -0.41 107.32 105.63 1pys s GLY 319 Ca 0.47 0.33 0.25 0.00 0.00 0.00 0.00 44.72 45.77 1pys s GLY 319 CO 0.38 0.63 1.72 0.00 0.00 0.00 0.00 173.10 175.84 1pys h ALA 320 N 0.68 1.00 0.04 3.20 0.00 -1.35 -3.32 119.26 119.51 1pys h ALA 320 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pys h ALA 320 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pys h ALA 320 CO 0.59 0.00 -0.02 1.49 0.00 0.00 0.00 179.25 181.31 1pys h GLU 321 N 0.00 -0.05 0.00 0.00 4.81 -1.91 -3.29 114.58 114.14 1pys h GLU 321 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pys h GLU 321 Cb 0.79 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1pys h GLU 321 CO 0.00 0.53 0.00 -1.13 -0.73 0.00 0.00 179.01 177.68 1pys n SER 322 N -4.82 0.00 -4.57 1.04 3.41 -1.26 -4.90 113.62 102.53 1pys n SER 322 Ca -0.09 -0.54 -0.44 0.00 -0.26 0.00 0.00 58.87 57.54 1pys n SER 322 Cb 0.30 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1pys n SER 322 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pys n GLU 323 N -1.14 1.18 -2.29 4.33 0.00 -1.24 -0.98 120.64 120.49 1pys n GLU 323 Ca 0.18 0.42 -0.43 0.00 0.00 0.00 0.00 57.16 57.33 1pys n GLU 323 Cb 0.17 -1.77 -0.02 0.00 0.00 0.00 0.00 31.44 29.82 1pys n GLU 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pys s VAL 324 N -1.11 4.02 0.00 6.31 1.01 -1.26 -4.72 120.40 124.65 1pys s VAL 324 Ca 0.60 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1pys s VAL 324 Cb -0.70 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1pys s VAL 324 CO 0.59 -0.21 0.00 0.54 0.00 0.00 0.00 175.10 176.02 1pys n ARG 325 N 7.02 2.50 -0.29 2.72 1.74 -1.26 -4.88 116.66 124.21 1pys n ARG 325 Ca 0.16 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 1pys n ARG 325 Cb 0.45 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.04 1pys n ARG 325 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1pys h GLU 326 N 0.00 0.83 -0.10 5.56 3.07 -1.94 -2.86 114.58 119.15 1pys h GLU 326 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1pys h GLU 326 Cb 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.72 1pys h GLU 326 CO 0.00 0.55 0.00 -0.25 -1.40 0.00 0.00 179.01 177.91 1pys n ASP 327 N -4.69 1.42 -4.74 1.42 8.00 -1.26 -4.47 116.55 112.23 1pys n ASP 327 Ca 0.13 -1.58 -0.41 0.00 0.71 0.00 0.00 54.79 53.63 1pys n ASP 327 Cb 0.23 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1pys n ASP 327 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pys s THR 328 N -1.89 3.20 0.00 -3.53 2.01 -1.08 -4.92 115.64 109.43 1pys s THR 328 Ca 0.35 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1pys s THR 328 Cb 0.19 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1pys s THR 328 CO 0.29 0.14 0.00 -0.62 -0.69 0.00 0.00 174.62 173.74 1pys n GLU 329 N 2.70 0.35 -3.78 4.92 1.02 -1.26 -4.53 120.64 120.06 1pys n GLU 329 Ca 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1pys n GLU 329 Cb 0.43 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.75 1pys n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pys s ALA 330 N -1.96 -0.70 0.23 0.62 0.00 -1.26 -1.02 121.76 117.67 1pys s ALA 330 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1pys s ALA 330 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1pys s ALA 330 CO 0.00 -0.16 0.11 0.96 0.00 0.00 0.00 175.76 176.67 1pys s ILE 331 N -0.20 0.33 -0.14 0.00 -4.36 -0.70 -1.83 121.20 114.29 1pys s ILE 331 Ca -0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1pys s ILE 331 Cb -0.03 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.11 1pys s ILE 331 CO 0.01 -0.01 -0.20 0.00 0.24 0.00 0.00 174.94 174.98 1pys s ALA 332 N -3.92 2.33 -0.36 2.27 0.00 -0.17 -3.22 121.76 118.69 1pys s ALA 332 Ca 0.38 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1pys s ALA 332 Cb 0.07 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1pys s ALA 332 CO 0.13 -0.01 0.45 -1.17 0.00 0.00 0.00 175.76 175.15 1pys s LEU 333 N 0.79 4.46 -0.10 0.00 0.20 -0.65 -0.80 118.68 122.58 1pys s LEU 333 Ca -0.07 -0.21 -0.23 0.00 0.69 0.00 0.00 54.13 54.31 1pys s LEU 333 Cb -0.16 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.10 1pys s LEU 333 CO -0.01 -0.45 0.69 -0.70 -0.29 0.00 0.00 176.35 175.59 1pys s GLU 334 N 2.23 4.39 -0.26 1.98 -6.30 0.15 -2.18 118.70 118.71 1pys s GLU 334 Ca 0.15 0.83 -0.02 0.00 -2.50 0.00 0.00 54.97 53.43 1pys s GLU 334 Cb -0.16 -3.48 0.12 0.00 0.00 0.00 0.00 34.13 30.61 1pys s GLU 334 CO 0.13 -0.01 0.28 0.08 0.02 0.00 0.00 175.26 175.76 1pys s VAL 335 N 1.08 -0.40 0.27 3.70 1.01 -0.90 -2.01 120.40 123.15 1pys s VAL 335 Ca 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1pys s VAL 335 Cb -0.17 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1pys s VAL 335 CO 0.16 -0.35 0.35 0.00 0.00 0.00 0.00 175.10 175.25 1pys s ALA 336 N 2.37 0.77 -0.19 5.51 0.00 -1.26 -2.27 121.76 126.70 1pys s ALA 336 Ca 0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1pys s ALA 336 Cb -0.15 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.23 1pys s ALA 336 CO -0.25 -0.73 -0.14 0.00 0.00 0.00 0.00 175.76 174.65 1pys s PHE 338 N 1.22 2.82 0.03 0.00 0.08 -1.26 -3.46 117.98 117.41 1pys s PHE 338 Ca 0.02 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1pys s PHE 338 Cb -0.14 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1pys s PHE 338 CO -0.06 0.31 1.24 0.34 -0.10 0.00 0.00 175.22 176.95 1pys s ASP 339 N -3.90 7.02 0.18 1.36 2.15 -1.19 -4.92 116.67 117.38 1pys s ASP 339 Ca 0.38 2.01 -0.13 0.00 0.43 0.00 0.00 52.55 55.25 1pys s ASP 339 Cb -0.05 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.15 1pys s ASP 339 CO 0.24 -0.54 1.78 -0.65 -0.17 0.00 0.00 175.17 175.83 1pys h PRO 340 N 7.07 0.47 -0.33 4.34 0.11 -1.87 -2.23 132.00 139.56 1pys h PRO 340 Ca -0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pys h PRO 340 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1pys h PRO 340 CO 0.84 0.31 0.20 0.28 -0.21 0.00 0.00 178.00 179.42 1pys h VAL 341 N 0.48 1.11 0.10 3.15 2.07 -1.90 0.16 116.25 121.43 1pys h VAL 341 Ca 0.23 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1pys h VAL 341 Cb 0.16 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1pys h VAL 341 CO -0.18 0.11 -0.05 -1.28 0.02 0.00 0.00 177.57 176.20 1pys h SER 342 N 0.43 -0.12 -0.78 0.57 0.87 -1.92 -1.52 113.55 111.09 1pys h SER 342 Ca 0.12 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1pys h SER 342 Cb 0.01 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 1pys h SER 342 CO -0.02 -0.05 0.49 0.40 -0.53 0.00 0.00 176.83 177.12 1pys h ILE 343 N -0.18 1.11 0.42 2.23 1.08 -1.15 -1.61 117.51 119.41 1pys h ILE 343 Ca -0.01 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1pys h ILE 343 Cb 0.14 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.94 1pys h ILE 343 CO 0.02 0.17 -0.45 -0.09 -0.69 0.00 0.00 178.15 177.12 1pys h ARG 344 N 0.95 -0.86 -0.33 2.37 2.43 -0.34 0.57 114.38 119.18 1pys h ARG 344 Ca 0.31 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 1pys h ARG 344 Cb 0.03 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1pys h ARG 344 CO -0.12 -0.57 0.06 0.87 -1.51 0.00 0.00 179.97 178.70 1pys h LYS 345 N -0.89 0.16 -0.91 0.20 1.57 -1.02 -0.69 116.57 114.99 1pys h LYS 345 Ca -0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pys h LYS 345 Cb 0.79 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1pys h LYS 345 CO -0.09 0.11 0.57 1.15 -0.57 0.00 0.00 179.45 180.62 1pys h THR 346 N 0.17 1.25 0.06 -0.16 2.02 -1.13 0.71 112.91 115.82 1pys h THR 346 Ca 0.15 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1pys h THR 346 Cb 0.17 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1pys h THR 346 CO -0.21 0.25 -0.03 0.00 0.37 0.00 0.00 175.52 175.91 1pys h ALA 347 N 1.31 -0.07 -0.03 6.16 0.00 -0.18 -1.48 119.26 124.96 1pys h ALA 347 Ca 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1pys h ALA 347 Cb -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pys h ALA 347 CO -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 179.25 178.66 1pys h ARG 348 N -0.20 -0.06 -0.59 0.00 -0.00 -0.91 -0.56 114.38 112.07 1pys h ARG 348 Ca -0.01 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.58 1pys h ARG 348 Cb 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 29.97 30.04 1pys h ARG 348 CO 0.01 -0.04 -0.32 -0.09 0.00 0.00 0.00 179.97 179.54 1pys h ARG 349 N -0.06 -0.15 -0.44 0.04 2.43 -0.70 -0.28 114.38 115.22 1pys h ARG 349 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1pys h ARG 349 Cb 0.09 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1pys h ARG 349 CO -0.06 -0.10 0.00 0.72 -1.51 0.00 0.00 179.97 179.02 1pys n HIS 350 N -5.44 0.57 -2.99 2.20 8.25 -0.57 -4.89 115.22 112.35 1pys n HIS 350 Ca 0.04 -0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.03 1pys n HIS 350 Cb 0.35 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.43 1pys n HIS 350 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pys n GLY 351 N 0.93 -0.51 3.73 -1.41 0.00 -0.12 -4.98 105.19 102.83 1pys n GLY 351 Ca 0.12 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1pys n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pys s LEU 352 N -6.53 3.61 -0.26 0.99 1.43 -0.29 -5.03 118.68 112.61 1pys s LEU 352 Ca 0.28 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1pys s LEU 352 Cb -0.13 -2.31 0.15 0.00 0.03 0.00 0.00 46.19 43.93 1pys s LEU 352 CO 0.34 0.16 0.43 -0.60 0.23 0.00 0.00 176.35 176.92 1pys s ARG 353 N -2.41 0.41 0.37 1.70 3.00 -1.26 -4.34 118.95 116.41 1pys s ARG 353 Ca 0.27 0.59 0.06 0.00 -1.00 0.00 0.00 55.73 55.66 1pys s ARG 353 Cb -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 34.95 34.54 1pys s ARG 353 CO 0.20 -0.69 0.02 0.95 0.00 0.00 0.00 175.30 175.78 1pys s THR 354 N 2.62 1.72 0.50 4.11 -4.23 -1.26 -4.99 115.64 114.10 1pys s THR 354 Ca 0.14 -2.02 0.15 0.00 -1.18 0.00 0.00 61.69 58.78 1pys s THR 354 Cb -0.15 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.07 1pys s THR 354 CO -0.19 -0.03 2.11 -0.33 -0.54 0.00 0.00 174.62 175.64 1pys h GLU 355 N 1.93 0.04 0.08 3.99 4.39 -1.99 -0.38 114.58 122.65 1pys h GLU 355 Ca -0.43 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 1pys h GLU 355 Cb 1.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1pys h GLU 355 CO 0.76 0.06 -0.04 0.00 -1.16 0.00 0.00 179.01 178.63 1pys h ALA 356 N 1.95 -0.11 -0.60 3.43 0.00 -1.86 -2.76 119.26 119.30 1pys h ALA 356 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1pys h ALA 356 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1pys h ALA 356 CO 0.00 -0.31 0.29 0.66 0.00 0.00 0.00 179.25 179.90 1pys h SER 357 N -0.63 0.79 -0.65 0.00 4.64 -1.40 -1.25 113.55 115.05 1pys h SER 357 Ca -0.01 -0.13 0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1pys h SER 357 Cb 0.51 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 62.30 1pys h SER 357 CO 0.02 0.69 0.12 -0.74 -0.87 0.00 0.00 176.83 176.05 1pys h HIS 358 N 0.82 0.18 0.01 4.77 6.17 -1.09 0.28 115.15 126.29 1pys h HIS 358 Ca 0.21 0.04 -0.20 0.00 0.71 0.00 0.00 60.37 61.13 1pys h HIS 358 Cb 0.11 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1pys h HIS 358 CO -0.00 -0.08 -0.94 0.00 0.71 0.00 0.00 177.93 177.62 1pys h ARG 359 N 0.23 0.03 -0.20 5.26 3.08 -1.16 -3.23 114.38 118.39 1pys h ARG 359 Ca 0.35 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 1pys h ARG 359 Cb 0.56 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1pys h ARG 359 CO -0.47 0.95 -0.48 0.74 -1.07 0.00 0.00 179.97 179.65 1pys h PHE 360 N 0.01 0.65 -0.45 3.04 0.04 -0.05 -0.81 116.94 119.38 1pys h PHE 360 Ca -0.02 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 1pys h PHE 360 Cb 1.65 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.65 1pys h PHE 360 CO 0.01 0.91 0.22 0.93 -0.60 0.00 0.00 178.31 179.78 1pys h GLU 361 N 0.43 0.64 0.00 1.51 5.08 -1.05 -2.70 114.58 118.48 1pys h GLU 361 Ca 0.02 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1pys h GLU 361 Cb 0.99 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1pys h GLU 361 CO 0.09 0.54 -0.54 0.00 -1.00 0.00 0.00 179.01 178.10 1pys h ARG 362 N 0.58 0.00 0.00 2.33 -0.00 -1.56 -3.45 114.38 112.29 1pys h ARG 362 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 1pys h ARG 362 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.07 1pys h ARG 362 CO -0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.97 180.90 1pys n GLY 363 N 0.22 3.42 3.04 0.04 0.00 -0.31 -4.77 105.19 106.82 1pys n GLY 363 Ca -0.01 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1pys n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pys s VAL 364 N -2.72 0.25 -0.26 1.61 1.01 -1.26 -4.64 120.40 114.40 1pys s VAL 364 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 61.98 60.39 1pys s VAL 364 Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1pys s VAL 364 CO 0.00 -0.66 2.17 -0.67 0.00 0.00 0.00 175.10 175.95 1pys n ASP 365 N 1.03 2.81 0.18 3.32 -0.08 -1.26 -4.79 116.55 117.75 1pys n ASP 365 Ca -0.20 0.38 0.10 0.00 -1.51 0.00 0.00 54.79 53.55 1pys n ASP 365 Cb 0.57 -1.41 0.53 0.00 2.34 0.00 0.00 41.12 43.15 1pys n ASP 365 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1pys h PRO 366 N 13.30 0.00 0.00 -0.67 0.13 -1.98 -1.57 132.00 141.21 1pys h PRO 366 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1pys h PRO 366 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1pys h PRO 366 CO 0.98 0.00 -0.14 1.28 -0.23 0.00 0.00 178.00 179.89 1pys n LEU 367 N -2.23 1.45 0.00 1.56 4.77 -1.26 -4.75 117.00 116.55 1pys n LEU 367 Ca -0.01 -2.10 0.12 0.00 -0.03 0.00 0.00 56.01 53.99 1pys n LEU 367 Cb 0.16 -0.21 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 1pys n LEU 367 CO 0.09 0.49 0.42 0.61 -1.33 0.00 0.00 177.39 177.67 1pys n GLY 368 N -0.79 -1.25 0.25 -0.72 0.00 -0.59 -4.49 105.19 97.61 1pys n GLY 368 Ca 0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1pys n GLY 368 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pys h GLN 369 N 0.00 -0.31 -0.55 1.61 7.50 -1.86 -1.70 115.11 119.79 1pys h GLN 369 Ca 0.00 0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.28 1pys h GLN 369 Cb 0.51 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 28.02 1pys h GLN 369 CO 0.00 -0.21 -0.02 0.28 -1.50 0.00 0.00 178.83 177.39 1pys h VAL 370 N -0.33 0.54 -0.62 -0.54 2.07 -1.91 0.52 116.25 115.98 1pys h VAL 370 Ca 0.01 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1pys h VAL 370 Cb 0.37 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1pys h VAL 370 CO -0.23 0.02 0.41 -0.65 0.02 0.00 0.00 177.57 177.14 1pys h PRO 371 N 0.10 0.80 -0.55 1.57 0.11 -1.80 -0.86 132.00 131.38 1pys h PRO 371 Ca 0.28 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1pys h PRO 371 Cb 0.44 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1pys h PRO 371 CO -0.48 0.53 0.07 0.00 -0.21 0.00 0.00 178.00 177.91 1pys h ALA 372 N 1.62 1.08 0.03 -0.75 0.00 0.02 -1.91 119.26 119.35 1pys h ALA 372 Ca 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pys h ALA 372 Cb -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1pys h ALA 372 CO -0.05 0.59 -0.02 1.96 0.00 0.00 0.00 179.25 181.74 1pys h GLN 373 N 0.84 -0.04 -0.86 0.00 1.08 -0.10 -1.35 115.11 114.69 1pys h GLN 373 Ca 0.17 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1pys h GLN 373 Cb 0.41 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1pys h GLN 373 CO 0.01 -0.03 0.57 0.00 -0.95 0.00 0.00 178.83 178.43 1pys h ARG 374 N -0.04 1.09 0.39 1.46 3.08 -1.20 0.99 114.38 120.15 1pys h ARG 374 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1pys h ARG 374 Cb 0.03 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1pys h ARG 374 CO 0.01 0.72 -0.19 -0.09 -1.07 0.00 0.00 179.97 179.35 1pys h ARG 375 N 1.13 -0.51 -0.48 0.04 1.12 -1.04 -0.95 114.38 113.70 1pys h ARG 375 Ca 0.32 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1pys h ARG 375 Cb -0.08 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1pys h ARG 375 CO -0.08 -0.21 0.28 0.00 -3.11 0.00 0.00 179.97 176.85 1pys h ALA 376 N -0.34 0.61 0.06 2.80 0.00 -1.05 -1.60 119.26 119.74 1pys h ALA 376 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pys h ALA 376 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pys h ALA 376 CO 0.09 0.11 -0.07 -0.07 0.00 0.00 0.00 179.25 179.31 1pys h LEU 377 N 0.63 -0.17 -0.69 0.00 3.38 -0.83 0.12 115.31 117.75 1pys h LEU 377 Ca 0.17 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.29 1pys h LEU 377 Cb 0.01 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 1pys h LEU 377 CO -0.03 -0.10 0.20 -1.28 0.09 0.00 0.00 178.44 177.32 1pys h SER 378 N -0.14 0.11 -0.44 -0.43 0.87 -0.87 0.88 113.55 113.52 1pys h SER 378 Ca 0.01 0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1pys h SER 378 Cb 0.14 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1pys h SER 378 CO -0.03 0.03 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.96 1pys h LEU 379 N 0.33 1.02 -0.63 2.23 3.38 -0.76 -1.65 115.31 119.23 1pys h LEU 379 Ca 0.38 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1pys h LEU 379 Cb 0.59 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1pys h LEU 379 CO -0.43 1.21 0.37 -0.07 0.09 0.00 0.00 178.44 179.61 1pys h LEU 380 N 0.83 0.58 -0.46 1.67 3.38 0.10 0.84 115.31 122.24 1pys h LEU 380 Ca 0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1pys h LEU 380 Cb 0.86 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1pys h LEU 380 CO 0.08 0.39 0.30 -0.61 0.09 0.00 0.00 178.44 178.69 1pys h GLN 381 N 0.71 0.59 -0.38 1.13 4.15 -0.75 0.42 115.11 120.98 1pys h GLN 381 Ca 0.26 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.49 1pys h GLN 381 Cb 0.08 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1pys h GLN 381 CO -0.13 0.39 -0.36 0.00 -1.93 0.00 0.00 178.83 176.80 1pys h ALA 382 N 1.18 0.63 0.07 3.38 0.00 -0.27 -1.21 119.26 123.04 1pys h ALA 382 Ca 0.17 -0.44 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 1pys h ALA 382 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1pys h ALA 382 CO -0.05 0.67 -1.75 1.28 0.00 0.00 0.00 179.25 179.41 1pys n LEU 383 N -4.06 2.33 -1.07 0.00 4.32 0.28 -4.41 117.00 114.39 1pys n LEU 383 Ca -0.02 0.29 0.08 0.00 -0.02 0.00 0.00 56.01 56.34 1pys n LEU 383 Cb 0.53 -1.05 0.26 0.00 -1.62 0.00 0.00 43.42 41.54 1pys n LEU 383 CO 0.48 0.63 0.72 0.00 -1.22 0.00 0.00 177.39 178.00 1pys n ALA 384 N -3.20 2.57 -4.08 -1.18 0.00 0.14 -4.98 120.51 109.77 1pys n ALA 384 Ca -0.33 -1.46 -0.32 0.00 0.00 0.00 0.00 53.44 51.33 1pys n ALA 384 Cb 0.90 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 1pys n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pys n GLY 385 N 0.76 -0.42 3.84 0.00 0.00 -0.46 -2.55 105.19 106.36 1pys n GLY 385 Ca 0.19 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1pys n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pys s ALA 386 N -3.42 2.99 -0.17 4.61 0.00 -1.18 -4.69 121.76 119.91 1pys s ALA 386 Ca 0.57 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1pys s ALA 386 Cb -0.31 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1pys s ALA 386 CO 0.89 -0.44 0.09 1.03 0.00 0.00 0.00 175.76 177.33 1pys s ARG 387 N -4.22 3.84 -0.05 0.00 0.52 0.10 -4.47 118.95 114.67 1pys s ARG 387 Ca 0.59 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.59 1pys s ARG 387 Cb -0.11 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 1pys s ARG 387 CO 0.36 0.41 -0.25 0.08 0.02 0.00 0.00 175.30 175.92 1pys s VAL 388 N -0.01 2.10 0.49 3.52 1.01 -1.26 -0.76 120.40 125.48 1pys s VAL 388 Ca 0.07 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1pys s VAL 388 Cb -0.12 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1pys s VAL 388 CO 0.00 0.57 1.02 0.00 0.00 0.00 0.00 175.10 176.70 1pys s ALA 389 N -0.24 2.90 -0.05 5.51 0.00 -0.54 -2.41 121.76 126.92 1pys s ALA 389 Ca -0.01 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1pys s ALA 389 Cb -0.13 -3.22 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 1pys s ALA 389 CO 0.03 -0.29 1.08 1.49 0.00 0.00 0.00 175.76 178.07 1pys h GLU 390 N 1.44 -0.08 -7.08 0.00 4.81 -1.81 -3.44 114.58 108.43 1pys h GLU 390 Ca -0.49 0.01 -0.49 0.00 -0.13 0.00 0.00 59.36 58.26 1pys h GLU 390 Cb 1.21 0.02 0.05 0.00 0.63 0.00 0.00 28.75 30.66 1pys h GLU 390 CO 0.59 0.46 0.41 0.00 -0.73 0.00 0.00 179.01 179.74 1pys s ALA 391 N -3.82 2.77 0.21 2.92 0.00 -1.26 -5.03 121.76 117.54 1pys s ALA 391 Ca -0.15 0.73 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1pys s ALA 391 Cb 0.01 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1pys s ALA 391 CO 0.61 -0.59 -0.22 -0.51 0.00 0.00 0.00 175.76 175.05 1pys s LEU 392 N -3.69 2.51 -0.26 0.00 1.43 -1.26 -4.63 118.68 112.78 1pys s LEU 392 Ca 0.70 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1pys s LEU 392 Cb -0.21 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1pys s LEU 392 CO 0.24 0.10 0.24 -0.76 0.23 0.00 0.00 176.35 176.40 1pys s LEU 393 N -2.85 4.06 -0.06 1.79 1.02 -0.28 -4.93 118.68 117.43 1pys s LEU 393 Ca 0.23 0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.55 1pys s LEU 393 Cb -0.07 -2.21 -0.00 0.00 0.02 0.00 0.00 46.19 43.92 1pys s LEU 393 CO 0.11 -0.05 -0.21 -0.70 0.02 0.00 0.00 176.35 175.53 1pys s GLU 394 N 1.62 2.24 -0.06 1.70 2.12 -1.26 -0.84 118.70 124.21 1pys s GLU 394 Ca 0.10 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.74 1pys s GLU 394 Cb -0.15 -1.86 -0.00 0.00 0.26 0.00 0.00 34.13 32.37 1pys s GLU 394 CO 0.09 0.26 -0.20 0.00 -0.54 0.00 0.00 175.26 174.87 1pys s ALA 395 N 0.07 1.79 0.00 6.30 0.00 0.63 -4.98 121.76 125.56 1pys s ALA 395 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1pys s ALA 395 Cb -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1pys s ALA 395 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1pys n GLY 396 N 3.21 1.23 3.10 0.00 0.00 -1.26 -0.37 105.19 111.10 1pys n GLY 396 Ca -0.19 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 1pys n GLY 396 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pys s SER 397 N -0.65 -0.88 0.29 1.61 0.15 -1.26 -4.92 113.70 108.04 1pys s SER 397 Ca 0.00 -0.97 -0.22 0.00 0.70 0.00 0.00 55.95 55.46 1pys s SER 397 Cb 0.00 1.62 -0.09 0.00 -1.71 0.00 0.00 66.02 65.84 1pys s SER 397 CO 0.00 -0.19 0.83 -2.84 1.20 0.00 0.00 173.24 172.24 1pys s PRO 398 N 1.76 4.36 0.26 5.44 0.02 -1.26 -5.01 135.00 140.56 1pys s PRO 398 Ca 0.16 1.05 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 1pys s PRO 398 Cb -0.07 -2.74 -0.09 0.00 0.02 0.00 0.00 34.50 31.62 1pys s PRO 398 CO -0.06 0.29 1.06 0.15 -0.33 0.00 0.00 177.00 178.10 1pys s LYS 399 N -2.21 4.70 1.05 5.54 -0.14 -1.26 -5.03 119.74 122.38 1pys s LYS 399 Ca 0.49 1.72 -0.12 0.00 -1.36 0.00 0.00 55.97 56.69 1pys s LYS 399 Cb -0.16 -3.22 0.22 0.00 -1.68 0.00 0.00 37.83 32.99 1pys s LYS 399 CO 0.21 0.29 1.07 -2.14 -0.76 0.00 0.00 175.35 174.02 1pys s PRO 400 N -1.33 -0.00 0.61 -1.68 0.02 -1.26 -4.97 135.00 126.39 1pys s PRO 400 Ca 0.44 0.84 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 1pys s PRO 400 Cb -0.30 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 1pys s PRO 400 CO 0.38 -3.11 1.17 -1.25 -0.33 0.00 0.00 177.00 173.87 1pys s PRO 401 N -4.69 2.95 0.22 5.54 0.04 -1.26 -5.01 135.00 132.79 1pys s PRO 401 Ca 0.67 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 1pys s PRO 401 Cb -0.22 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1pys s PRO 401 CO 0.61 -1.19 0.60 -2.00 0.04 0.00 0.00 177.00 175.06 1pys s GLU 402 N -3.52 3.92 0.44 4.56 2.12 -1.26 -4.90 118.70 120.07 1pys s GLU 402 Ca 0.74 0.45 -0.24 0.00 0.36 0.00 0.00 54.97 56.28 1pys s GLU 402 Cb -0.27 -2.71 -0.08 0.00 0.26 0.00 0.00 34.13 31.34 1pys s GLU 402 CO 0.34 0.34 1.22 0.00 -0.54 0.00 0.00 175.26 176.63 1pys s ALA 403 N -1.72 3.07 -0.07 6.30 0.00 -1.26 -4.58 121.76 123.51 1pys s ALA 403 Ca 0.45 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.53 1pys s ALA 403 Cb -0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1pys s ALA 403 CO 0.20 -0.75 -0.23 0.42 0.00 0.00 0.00 175.76 175.40 1pys s ILE 404 N -1.41 2.26 0.07 0.00 1.01 0.21 -4.92 121.20 118.42 1pys s ILE 404 Ca 0.61 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1pys s ILE 404 Cb -0.33 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1pys s ILE 404 CO 0.41 0.57 0.95 -2.16 0.00 0.00 0.00 174.94 174.70 1pys s PRO 405 N -0.12 4.63 -0.10 2.79 0.04 -1.26 0.55 135.00 141.54 1pys s PRO 405 Ca -0.04 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1pys s PRO 405 Cb -0.14 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1pys s PRO 405 CO 0.04 0.13 -0.13 0.12 0.04 0.00 0.00 177.00 177.20 1pys s PHE 406 N 0.34 1.73 -0.33 0.56 5.36 0.14 -4.58 117.98 121.21 1pys s PHE 406 Ca 0.48 -0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 1pys s PHE 406 Cb -0.22 -1.29 0.07 0.00 -0.34 0.00 0.00 43.02 41.23 1pys s PHE 406 CO 0.29 -0.44 0.04 1.03 -1.46 0.00 0.00 175.22 174.68 1pys s ARG 407 N 1.08 2.23 0.32 10.12 3.00 -1.26 0.27 118.95 134.72 1pys s ARG 407 Ca -0.06 -1.45 0.09 0.00 0.00 0.00 0.00 55.73 54.31 1pys s ARG 407 Cb -0.14 -3.25 0.83 0.00 0.00 0.00 0.00 34.95 32.38 1pys s ARG 407 CO -0.02 -0.75 1.77 -1.35 0.00 0.00 0.00 175.30 174.96 1pys h PRO 408 N 7.96 0.65 -0.24 3.54 0.11 -1.97 -0.52 132.00 141.53 1pys h PRO 408 Ca -0.18 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.93 1pys h PRO 408 Cb 1.05 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 1pys h PRO 408 CO 0.56 0.43 0.01 1.49 -0.21 0.00 0.00 178.00 180.28 1pys h GLU 409 N 0.67 0.09 -0.27 1.05 4.81 -1.93 -1.25 114.58 117.74 1pys h GLU 409 Ca 0.59 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.74 1pys h GLU 409 Cb 1.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1pys h GLU 409 CO -0.38 0.06 -0.13 -0.92 -0.73 0.00 0.00 179.01 176.91 1pys h TYR 410 N 0.09 0.48 0.47 0.92 3.20 -1.55 0.13 116.97 120.72 1pys h TYR 410 Ca 0.11 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1pys h TYR 410 Cb 0.14 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1pys h TYR 410 CO -0.18 0.57 -0.34 0.00 -1.64 0.00 0.00 178.16 176.57 1pys h ALA 411 N 1.45 -0.81 -0.62 1.82 0.00 -0.12 -0.39 119.26 120.58 1pys h ALA 411 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pys h ALA 411 Cb 0.48 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1pys h ALA 411 CO 0.03 -0.98 0.41 -0.91 0.00 0.00 0.00 179.25 177.80 1pys h ASN 412 N -0.80 0.63 0.06 0.00 2.35 -1.01 -1.66 115.58 115.16 1pys h ASN 412 Ca -0.05 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1pys h ASN 412 Cb 0.67 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1pys h ASN 412 CO 0.01 0.43 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.82 1pys h ARG 413 N 0.73 0.37 0.12 0.81 2.43 0.04 0.32 114.38 119.20 1pys h ARG 413 Ca 0.25 -0.15 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 1pys h ARG 413 Cb 0.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1pys h ARG 413 CO -0.07 0.65 -1.32 1.25 -1.51 0.00 0.00 179.97 178.97 1pys h LEU 414 N 0.32 0.40 0.02 3.80 5.85 -0.30 -3.32 115.31 122.09 1pys h LEU 414 Ca 0.04 -0.46 -0.26 0.00 0.84 0.00 0.00 57.88 58.05 1pys h LEU 414 Cb 0.71 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1pys h LEU 414 CO 0.05 1.37 -1.34 -0.07 -0.34 0.00 0.00 178.44 178.11 1pys h LEU 415 N 0.07 0.08 0.00 2.25 3.38 -1.23 -3.47 115.31 116.38 1pys h LEU 415 Ca -0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pys h LEU 415 Cb 1.98 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1pys h LEU 415 CO 0.19 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1pys n GLY 416 N 1.48 0.70 3.95 0.83 0.00 0.11 -4.86 105.19 107.39 1pys n GLY 416 Ca -0.09 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 1pys n GLY 416 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pys s THR 417 N -2.00 1.71 -0.39 2.61 -4.23 -0.86 -4.68 115.64 107.79 1pys s THR 417 Ca 0.00 -1.35 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1pys s THR 417 Cb 0.00 -2.06 0.33 0.00 1.34 0.00 0.00 72.50 72.11 1pys s THR 417 CO 0.00 0.00 0.79 -1.54 -0.54 0.00 0.00 174.62 173.33 1pys n SER 418 N -1.93 0.09 -4.72 3.99 3.41 -1.26 -4.55 113.62 108.65 1pys n SER 418 Ca 0.03 -3.12 -0.42 0.00 -0.26 0.00 0.00 58.87 55.11 1pys n SER 418 Cb 0.64 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1pys n SER 418 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pys s TYR 419 N -1.75 3.63 0.41 7.33 2.02 -1.26 -5.00 117.35 122.73 1pys s TYR 419 Ca 0.36 1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 58.40 1pys s TYR 419 Cb 0.32 -3.20 -0.09 0.00 -0.40 0.00 0.00 41.96 38.59 1pys s TYR 419 CO -0.08 -0.37 1.38 -1.25 -1.57 0.00 0.00 175.55 173.66 1pys s PRO 420 N 0.59 3.93 0.10 -1.71 0.04 -1.26 -4.82 135.00 131.88 1pys s PRO 420 Ca 0.52 2.33 -0.20 0.00 0.04 0.00 0.00 61.00 63.70 1pys s PRO 420 Cb -0.25 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1pys s PRO 420 CO 0.30 -0.58 1.22 -1.91 0.04 0.00 0.00 177.00 176.06 1pys n GLU 421 N 0.14 -0.28 -0.24 4.56 2.13 -1.26 -0.72 120.64 124.97 1pys n GLU 421 Ca 0.03 1.20 0.04 0.00 0.66 0.00 0.00 57.16 59.09 1pys n GLU 421 Cb 0.42 -1.77 0.16 0.00 0.27 0.00 0.00 31.44 30.52 1pys n GLU 421 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pys h ALA 422 N 0.09 0.93 -0.34 4.31 0.00 -2.00 -0.49 119.26 121.77 1pys h ALA 422 Ca 0.10 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1pys h ALA 422 Cb 0.26 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pys h ALA 422 CO -0.60 -0.26 0.02 1.49 0.00 0.00 0.00 179.25 179.89 1pys h GLU 423 N 0.35 0.52 -0.03 0.00 4.81 -1.29 -1.86 114.58 117.09 1pys h GLU 423 Ca 0.38 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1pys h GLU 423 Cb 0.59 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1pys h GLU 423 CO -0.42 0.53 -0.02 1.96 -0.73 0.00 0.00 179.01 180.33 1pys h GLN 424 N 0.50 0.06 -0.20 1.92 4.20 -0.19 -2.92 115.11 118.49 1pys h GLN 424 Ca 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1pys h GLN 424 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1pys h GLN 424 CO 0.01 0.52 0.03 0.82 -0.67 0.00 0.00 178.83 179.54 1pys h ILE 425 N -0.40 1.11 -0.14 2.54 2.04 -1.28 -0.89 117.51 120.49 1pys h ILE 425 Ca 0.00 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1pys h ILE 425 Cb 0.51 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1pys h ILE 425 CO 0.01 0.14 -0.39 0.00 0.00 0.00 0.00 178.15 177.91 1pys h ALA 426 N 1.76 1.07 0.59 1.87 0.00 -1.31 -0.87 119.26 122.38 1pys h ALA 426 Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1pys h ALA 426 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pys h ALA 426 CO -0.00 0.59 -0.29 0.82 0.00 0.00 0.00 179.25 180.37 1pys h ILE 427 N 0.26 0.37 -0.88 0.00 1.08 -0.99 0.06 117.51 117.43 1pys h ILE 427 Ca 0.03 -0.16 0.19 0.00 -0.39 0.00 0.00 64.86 64.52 1pys h ILE 427 Cb 0.81 0.44 -0.11 0.00 -3.07 0.00 0.00 36.82 34.88 1pys h ILE 427 CO 0.06 0.02 0.41 -0.07 -0.69 0.00 0.00 178.15 177.89 1pys h LEU 428 N -0.91 0.42 -0.36 1.44 3.38 -1.25 -1.16 115.31 116.87 1pys h LEU 428 Ca -0.08 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1pys h LEU 428 Cb 0.65 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1pys h LEU 428 CO 0.13 0.09 -0.09 0.11 0.09 0.00 0.00 178.44 178.77 1pys h LYS 429 N 0.49 0.69 -0.33 1.13 1.57 -0.88 -2.37 116.57 116.88 1pys h LYS 429 Ca 0.52 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1pys h LYS 429 Cb 0.89 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1pys h LYS 429 CO -0.46 0.86 0.22 0.00 -0.57 0.00 0.00 179.45 179.50 1pys h ARG 430 N 0.49 0.37 0.00 3.15 3.08 0.15 -1.01 114.38 120.60 1pys h ARG 430 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1pys h ARG 430 Cb 0.60 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1pys h ARG 430 CO 0.04 0.24 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1pys n LEU 431 N -4.49 0.00 0.00 3.04 4.77 -0.55 -4.57 117.00 115.20 1pys n LEU 431 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1pys n LEU 431 Cb 0.12 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1pys n LEU 431 CO 0.35 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1pys n GLY 432 N 0.58 0.30 3.78 -0.72 0.00 -0.38 -4.85 105.19 103.89 1pys n GLY 432 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1pys n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pys s ARG 434 N -3.81 3.42 -0.23 0.00 3.52 -0.79 -4.39 118.95 116.67 1pys s ARG 434 Ca 0.68 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.55 1pys s ARG 434 Cb -0.21 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1pys s ARG 434 CO 0.35 -0.28 0.14 0.08 -0.81 0.00 0.00 175.30 174.79 1pys s VAL 435 N 1.56 5.27 0.01 7.11 1.01 -1.26 -1.02 120.40 133.07 1pys s VAL 435 Ca 0.05 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1pys s VAL 435 Cb -0.16 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1pys s VAL 435 CO 0.02 0.37 -0.24 -1.61 0.00 0.00 0.00 175.10 173.64 1pys s GLU 436 N 0.93 1.82 0.00 2.72 2.02 0.12 -4.98 118.70 121.32 1pys s GLU 436 Ca 0.07 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1pys s GLU 436 Cb -0.13 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1pys s GLU 436 CO 0.03 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1pys n GLY 437 N 2.18 2.31 0.12 -1.39 0.00 -1.26 -0.60 105.19 106.55 1pys n GLY 437 Ca -0.16 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.79 1pys n GLY 437 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pys n GLU 438 N -0.31 2.96 0.00 1.61 0.28 -1.26 -4.98 120.64 118.94 1pys n GLU 438 Ca 0.00 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.64 1pys n GLU 438 Cb 0.00 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 31.90 1pys n GLU 438 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pys n GLY 439 N 0.93 1.85 0.15 -1.84 0.00 -1.26 -4.96 105.19 100.05 1pys n GLY 439 Ca 0.03 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1pys n GLY 439 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pys h PRO 440 N 0.00 0.00 -4.77 1.61 0.13 -1.99 -3.47 132.00 123.51 1pys h PRO 440 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1pys h PRO 440 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 1pys h PRO 440 CO 0.00 0.00 -0.70 -0.08 -0.23 0.00 0.00 178.00 176.99 1pys s THR 441 N -3.22 2.97 0.48 1.56 -1.32 -1.26 -4.10 115.64 110.75 1pys s THR 441 Ca 0.08 -1.41 -0.04 0.00 -1.21 0.00 0.00 61.69 59.10 1pys s THR 441 Cb 0.10 -2.72 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1pys s THR 441 CO 0.56 -0.12 0.77 -0.31 -2.21 0.00 0.00 174.62 173.31 1pys s TYR 442 N 1.24 3.47 -0.40 9.09 1.51 0.14 -4.83 117.35 127.57 1pys s TYR 442 Ca -0.05 0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 56.65 1pys s TYR 442 Cb -0.20 -2.34 0.10 0.00 -0.11 0.00 0.00 41.96 39.41 1pys s TYR 442 CO -0.01 -0.34 0.20 1.03 -1.11 0.00 0.00 175.55 175.31 1pys s ARG 443 N -4.73 2.15 -0.26 -0.62 1.81 0.23 0.24 118.95 117.77 1pys s ARG 443 Ca 0.48 -1.72 -0.08 0.00 -1.72 0.00 0.00 55.73 52.69 1pys s ARG 443 Cb -0.10 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.78 1pys s ARG 443 CO 0.43 -1.02 0.09 0.08 -0.68 0.00 0.00 175.30 174.20 1pys s VAL 444 N 1.20 4.46 -0.28 3.52 1.01 0.19 0.12 120.40 130.61 1pys s VAL 444 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1pys s VAL 444 Cb -0.23 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1pys s VAL 444 CO -0.03 0.31 0.06 0.28 0.00 0.00 0.00 175.10 175.72 1pys s THR 445 N 1.63 3.84 0.85 3.92 -1.32 -0.19 0.65 115.64 125.03 1pys s THR 445 Ca 0.06 -0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1pys s THR 445 Cb -0.15 -2.96 0.11 0.00 -1.51 0.00 0.00 72.50 67.99 1pys s THR 445 CO 0.05 0.12 1.15 -2.16 -2.21 0.00 0.00 174.62 171.56 1pys s PRO 446 N 1.49 1.46 0.83 7.08 0.04 -1.26 -1.89 135.00 142.75 1pys s PRO 446 Ca 0.03 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1pys s PRO 446 Cb -0.17 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1pys s PRO 446 CO 0.02 -2.29 1.10 -2.14 0.04 0.00 0.00 177.00 173.72 1pys s PRO 447 N -4.58 1.74 0.46 0.56 0.02 -1.26 -4.75 135.00 127.19 1pys s PRO 447 Ca 0.67 1.11 0.31 0.00 0.02 0.00 0.00 61.00 63.10 1pys s PRO 447 Cb -0.23 -1.84 1.27 0.00 0.02 0.00 0.00 34.50 33.72 1pys s PRO 447 CO 0.55 -1.99 1.91 0.66 -0.33 0.00 0.00 177.00 177.80 1pys h SER 448 N -1.38 0.00 0.00 2.53 4.64 -1.95 -3.00 113.55 114.39 1pys h SER 448 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pys h SER 448 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1pys h SER 448 CO 0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.45 1pys n HIS 449 N -2.81 0.00 -3.52 4.77 1.44 -1.26 -4.26 115.22 109.58 1pys n HIS 449 Ca 0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.31 1pys n HIS 449 Cb 0.27 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.33 1pys n HIS 449 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1pys s ARG 450 N -2.04 3.33 0.38 -1.40 1.81 -1.14 -4.44 118.95 115.45 1pys s ARG 450 Ca 0.36 -2.80 0.28 0.00 -1.72 0.00 0.00 55.73 51.84 1pys s ARG 450 Cb 0.21 -4.14 1.09 0.00 -0.45 0.00 0.00 34.95 31.66 1pys s ARG 450 CO 0.35 -1.24 1.82 -0.07 -0.68 0.00 0.00 175.30 175.47 1pys h LEU 451 N 6.96 0.00 -0.02 2.53 3.38 -1.85 -3.02 115.31 123.29 1pys h LEU 451 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pys h LEU 451 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1pys h LEU 451 CO 0.81 0.00 -0.14 -0.90 0.09 0.00 0.00 178.44 178.30 1pys n ASP 452 N -2.62 0.17 -4.35 -0.43 5.75 -1.26 -4.71 116.55 109.11 1pys n ASP 452 Ca 0.02 0.18 -0.46 0.00 -0.01 0.00 0.00 54.79 54.52 1pys n ASP 452 Cb 0.29 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 1pys n ASP 452 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pys s LEU 453 N -2.93 6.08 0.00 -2.12 1.43 -1.14 -4.77 118.68 115.22 1pys s LEU 453 Ca 0.15 -2.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.21 1pys s LEU 453 Cb 0.19 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1pys s LEU 453 CO 0.57 -0.84 0.00 0.54 0.23 0.00 0.00 176.35 176.84 1pys n ARG 454 N 5.20 0.12 -3.39 1.70 5.12 -1.26 -4.81 116.66 119.34 1pys n ARG 454 Ca 0.01 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.73 1pys n ARG 454 Cb 0.44 -0.86 -0.01 0.00 -1.16 0.00 0.00 32.46 30.87 1pys n ARG 454 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pys s LEU 455 N -4.41 3.38 0.22 0.55 1.43 -1.26 -4.85 118.68 113.75 1pys s LEU 455 Ca 0.00 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 1pys s LEU 455 Cb 0.00 -2.11 0.20 0.00 0.03 0.00 0.00 46.19 44.31 1pys s LEU 455 CO 0.00 -0.78 1.67 -0.08 0.23 0.00 0.00 176.35 177.38 1pys h GLU 456 N 0.82 0.85 -0.56 1.70 4.81 -1.97 -2.60 114.58 117.64 1pys h GLU 456 Ca -0.40 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 58.58 1pys h GLU 456 Cb 1.28 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1pys h GLU 456 CO 0.52 0.92 0.32 0.93 -0.73 0.00 0.00 179.01 180.97 1pys h GLU 457 N 0.76 0.61 -0.78 1.92 3.07 -1.96 -0.15 114.58 118.05 1pys h GLU 457 Ca 0.13 -0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1pys h GLU 457 Cb 0.62 -0.14 -0.10 0.00 -0.84 0.00 0.00 28.75 28.29 1pys h GLU 457 CO 0.04 0.40 0.32 -0.44 -1.40 0.00 0.00 179.01 177.94 1pys h ASP 458 N 0.63 0.30 -0.06 1.42 3.32 -1.82 0.31 116.42 120.52 1pys h ASP 458 Ca 0.23 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.28 1pys h ASP 458 Cb 0.06 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1pys h ASP 458 CO -0.12 0.10 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.12 1pys h LEU 459 N 0.45 0.54 -1.11 1.55 4.07 -1.02 -2.67 115.31 117.13 1pys h LEU 459 Ca 0.44 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 1pys h LEU 459 Cb 0.68 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1pys h LEU 459 CO -0.42 0.82 -0.44 1.62 -1.08 0.00 0.00 178.44 178.95 1pys h VAL 460 N 0.45 1.29 -0.02 1.22 3.04 0.12 -0.84 116.25 121.52 1pys h VAL 460 Ca 0.06 -1.52 -0.08 0.00 -1.01 0.00 0.00 66.70 64.15 1pys h VAL 460 Cb 0.77 1.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1pys h VAL 460 CO 0.06 0.43 -0.37 -0.08 -1.01 0.00 0.00 177.57 176.60 1pys h GLU 461 N 0.00 0.03 -0.49 4.17 4.81 -0.72 -1.88 114.58 120.51 1pys h GLU 461 Ca -0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1pys h GLU 461 Cb 0.79 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1pys h GLU 461 CO 0.06 0.40 0.03 0.93 -0.73 0.00 0.00 179.01 179.69 1pys h GLU 462 N 0.03 0.84 -0.82 1.92 4.39 -0.88 0.48 114.58 120.54 1pys h GLU 462 Ca 0.00 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1pys h GLU 462 Cb 0.66 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1pys h GLU 462 CO 0.05 0.87 0.38 0.28 -1.16 0.00 0.00 179.01 179.43 1pys h VAL 463 N 0.70 1.26 0.10 3.13 2.07 -1.05 -2.05 116.25 120.40 1pys h VAL 463 Ca 0.14 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1pys h VAL 463 Cb 0.47 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1pys h VAL 463 CO 0.02 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 177.88 1pys h ALA 464 N 1.20 -0.13 0.00 1.67 0.00 -0.87 -0.89 119.26 120.24 1pys h ALA 464 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1pys h ALA 464 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pys h ALA 464 CO -0.03 -0.44 -0.37 0.07 0.00 0.00 0.00 179.25 178.48 1pys h ARG 465 N -0.40 0.00 0.11 0.00 0.11 -0.82 0.87 114.38 114.25 1pys h ARG 465 Ca -0.01 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.80 1pys h ARG 465 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1pys h ARG 465 CO 0.02 0.37 -1.19 0.82 0.10 0.00 0.00 179.97 180.10 1pys h ILE 466 N 0.00 1.49 -0.01 0.08 1.08 -1.35 -3.22 117.51 115.58 1pys h ILE 466 Ca -0.00 -2.96 -0.21 0.00 -0.39 0.00 0.00 64.86 61.30 1pys h ILE 466 Cb 0.67 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1pys h ILE 466 CO 0.05 0.87 -0.87 1.56 -0.69 0.00 0.00 178.15 179.06 1pys h GLN 467 N 0.10 0.33 0.00 2.37 1.08 -0.95 -3.48 115.11 114.57 1pys h GLN 467 Ca -0.12 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1pys h GLN 467 Cb 1.90 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1pys h GLN 467 CO 0.20 1.02 0.00 0.41 -0.95 0.00 0.00 178.83 179.51 1pys n GLY 468 N 0.84 2.86 0.29 3.46 0.00 0.30 -4.66 105.19 108.27 1pys n GLY 468 Ca -0.05 -1.37 0.16 0.00 0.00 0.00 0.00 46.02 44.75 1pys n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pys h TYR 469 N 0.00 0.00 0.00 1.61 -1.99 -1.83 -1.16 116.97 113.59 1pys h TYR 469 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1pys h TYR 469 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1pys h TYR 469 CO 0.00 0.06 -0.10 0.93 -0.00 0.00 0.00 178.16 179.05 1pys h GLU 470 N 0.00 0.00 0.00 4.88 3.07 -1.91 -2.33 114.58 118.30 1pys h GLU 470 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pys h GLU 470 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1pys h GLU 470 CO 0.01 0.10 0.00 0.25 -1.40 0.00 0.00 179.01 177.96 1pys n THR 471 N -4.08 0.34 -2.52 1.13 -2.24 -0.44 -4.72 114.28 101.76 1pys n THR 471 Ca -0.02 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 1pys n THR 471 Cb 0.18 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 1pys n THR 471 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pys s ILE 472 N -3.01 4.43 0.81 2.28 1.01 -0.88 -5.00 121.20 120.85 1pys s ILE 472 Ca 0.12 1.73 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1pys s ILE 472 Cb 0.16 -4.12 0.08 0.00 0.01 0.00 0.00 42.46 38.59 1pys s ILE 472 CO 0.45 -0.11 1.09 -2.16 0.00 0.00 0.00 174.94 174.21 1pys s PRO 473 N 3.02 1.93 0.23 2.79 0.04 -1.26 -5.06 135.00 136.69 1pys s PRO 473 Ca 0.51 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1pys s PRO 473 Cb -0.20 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1pys s PRO 473 CO 0.14 -1.83 0.60 -0.51 0.04 0.00 0.00 177.00 175.44 1pys s LEU 474 N -6.00 4.19 -0.03 -3.56 1.02 -1.26 -5.05 118.68 107.99 1pys s LEU 474 Ca 0.62 1.06 -0.30 0.00 0.02 0.00 0.00 54.13 55.53 1pys s LEU 474 Cb -0.17 -3.68 0.11 0.00 0.02 0.00 0.00 46.19 42.47 1pys s LEU 474 CO 0.56 -0.06 0.94 0.00 0.02 0.00 0.00 176.35 177.81 1pys s ALA 475 N -1.77 -1.86 -0.02 4.21 0.00 -1.26 -5.17 121.76 115.89 1pys s ALA 475 Ca 0.47 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.58 1pys s ALA 475 Cb -0.12 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1pys s ALA 475 CO 0.20 -0.67 -0.17 -0.51 0.00 0.00 0.00 175.76 174.61 1pys s LEU 476 N -2.43 1.99 0.28 0.00 1.43 -1.26 -5.14 118.68 113.55 1pys s LEU 476 Ca 0.06 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1pys s LEU 476 Cb -0.01 -0.89 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 1pys s LEU 476 CO -0.08 0.19 0.63 -2.16 0.23 0.00 0.00 176.35 175.16 1pys s PRO 477 N -0.26 3.86 -0.08 1.29 0.04 -1.26 -5.09 135.00 133.49 1pys s PRO 477 Ca 0.04 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 1pys s PRO 477 Cb -0.08 -2.55 0.03 0.00 0.04 0.00 0.00 34.50 31.94 1pys s PRO 477 CO 0.00 0.23 -0.02 0.00 0.04 0.00 0.00 177.00 177.25 1pys s ALA 478 N -1.94 0.84 0.07 8.56 0.00 -1.26 -5.13 121.76 122.91 1pys s ALA 478 Ca 0.50 -0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 1pys s ALA 478 Cb -0.11 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.32 1pys s ALA 478 CO 0.21 -0.44 0.73 -0.59 0.00 0.00 0.00 175.76 175.67 1pys s PHE 479 N 1.89 -0.47 -0.19 0.00 -0.12 -1.26 -5.13 117.98 112.70 1pys s PHE 479 Ca 0.05 0.36 -0.17 0.00 -0.05 0.00 0.00 56.93 57.11 1pys s PHE 479 Cb -0.12 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1pys s PHE 479 CO -0.06 -0.70 0.47 -0.06 -0.05 0.00 0.00 175.22 174.82 1pys s PHE 480 N -3.21 3.40 0.52 3.49 0.08 -1.26 -5.05 117.98 115.94 1pys s PHE 480 Ca 0.01 0.74 -0.21 0.00 0.12 0.00 0.00 56.93 57.59 1pys s PHE 480 Cb -0.01 -2.60 -0.06 0.00 -0.57 0.00 0.00 43.02 39.79 1pys s PHE 480 CO -0.09 -0.02 1.20 -1.25 -0.10 0.00 0.00 175.22 174.96 1pys s PRO 481 N 1.33 3.42 0.40 0.24 0.04 -1.26 -4.95 135.00 134.22 1pys s PRO 481 Ca 0.23 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1pys s PRO 481 Cb -0.15 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 1pys s PRO 481 CO 0.09 -0.85 1.43 0.00 0.04 0.00 0.00 177.00 177.71 1pys s ALA 482 N -1.56 3.42 0.31 8.56 0.00 -1.26 -4.89 121.76 126.34 1pys s ALA 482 Ca 0.70 1.46 0.06 0.00 0.00 0.00 0.00 51.96 54.18 1pys s ALA 482 Cb -0.30 -3.57 0.87 0.00 0.00 0.00 0.00 23.12 20.12 1pys s ALA 482 CO 0.35 -1.03 1.50 -2.30 0.00 0.00 0.00 175.76 174.28 1pys n PRO 483 N 0.24 -0.07 0.00 0.00 -0.02 -1.26 -1.77 135.00 132.12 1pys n PRO 483 Ca 0.03 1.41 0.07 0.00 -2.02 0.00 0.00 63.50 62.98 1pys n PRO 483 Cb 0.41 -2.30 0.33 0.00 -0.02 0.00 0.00 33.50 31.91 1pys n PRO 483 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pys n ASP 484 N -5.36 0.00 -0.14 2.55 5.68 -1.26 -1.77 116.55 116.25 1pys n ASP 484 Ca 0.26 0.31 0.13 0.00 -0.50 0.00 0.00 54.79 54.99 1pys n ASP 484 Cb 0.86 -0.41 0.32 0.00 -1.14 0.00 0.00 41.12 40.76 1pys n ASP 484 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pys n ASN 485 N -1.41 0.78 -4.75 -1.12 3.02 -0.73 -4.79 115.26 106.27 1pys n ASN 485 Ca 0.05 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.59 1pys n ASN 485 Cb 0.14 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1pys n ASN 485 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pys s ARG 486 N -2.72 4.51 0.00 3.52 1.81 -0.73 -3.05 118.95 122.29 1pys s ARG 486 Ca 0.19 1.93 0.00 0.00 -1.72 0.00 0.00 55.73 56.12 1pys s ARG 486 Cb 0.18 -3.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 1pys s ARG 486 CO 0.60 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.60 1pys n GLY 487 N 1.67 0.80 0.29 -3.53 0.00 -1.26 -4.89 105.19 98.27 1pys n GLY 487 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1pys n GLY 487 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pys h VAL 488 N 0.00 0.00 -0.02 1.61 2.07 -1.85 -2.04 116.25 116.03 1pys h VAL 488 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pys h VAL 488 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1pys h VAL 488 CO 0.00 0.00 -0.26 -1.84 0.02 0.00 0.00 177.57 175.49 1pys n GLU 489 N -2.69 1.68 -0.24 1.57 0.28 -1.26 -4.57 120.64 115.41 1pys n GLU 489 Ca -0.02 -1.38 -0.00 0.00 -0.16 0.00 0.00 57.16 55.60 1pys n GLU 489 Cb 0.31 -1.47 0.06 0.00 1.43 0.00 0.00 31.44 31.77 1pys n GLU 489 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pys h ALA 490 N 4.24 0.35 0.08 -1.84 0.00 -1.78 -0.60 119.26 119.71 1pys h ALA 490 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1pys h ALA 490 Cb 0.85 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1pys h ALA 490 CO 0.00 -0.48 -0.33 -1.35 0.00 0.00 0.00 179.25 177.10 1pys h PRO 491 N -0.04 -0.51 -0.88 0.00 0.11 -1.84 0.95 132.00 129.79 1pys h PRO 491 Ca 0.32 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.56 1pys h PRO 491 Cb 0.53 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.68 1pys h PRO 491 CO -0.73 -0.34 0.53 -0.92 -0.21 0.00 0.00 178.00 176.33 1pys h TYR 492 N -0.53 0.95 -0.57 0.65 5.03 -1.67 -1.14 116.97 119.70 1pys h TYR 492 Ca 0.04 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1pys h TYR 492 Cb 0.58 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1pys h TYR 492 CO -0.31 0.39 0.09 0.00 -1.32 0.00 0.00 178.16 177.02 1pys h ARG 493 N 0.87 0.93 -0.53 1.82 3.08 -0.37 -2.05 114.38 118.14 1pys h ARG 493 Ca 0.43 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1pys h ARG 493 Cb 0.38 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1pys h ARG 493 CO -0.25 0.89 0.34 -0.22 -1.07 0.00 0.00 179.97 179.67 1pys h LYS 494 N 0.83 0.67 -0.18 0.04 3.64 0.38 -1.93 116.57 120.02 1pys h LYS 494 Ca 0.17 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1pys h LYS 494 Cb 0.41 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1pys h LYS 494 CO 0.01 0.44 -0.44 1.49 -2.27 0.00 0.00 179.45 178.69 1pys h GLU 495 N 0.69 0.43 0.00 1.90 4.81 -1.29 -2.54 114.58 118.59 1pys h GLU 495 Ca 0.20 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1pys h GLU 495 Cb -0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1pys h GLU 495 CO -0.06 0.79 -0.43 0.37 -0.73 0.00 0.00 179.01 178.95 1pys h GLN 496 N 0.35 0.00 -0.06 1.92 5.75 -0.98 -2.46 115.11 119.63 1pys h GLN 496 Ca 0.03 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.33 1pys h GLN 496 Cb 0.91 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 1pys h GLN 496 CO 0.08 0.43 -0.78 0.00 -2.65 0.00 0.00 178.83 175.91 1pys h ARG 497 N 0.00 0.40 -0.30 1.69 2.47 -1.11 -2.71 114.38 114.82 1pys h ARG 497 Ca -0.00 -0.35 0.04 0.00 -1.26 0.00 0.00 59.98 58.40 1pys h ARG 497 Cb 0.79 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.15 1pys h ARG 497 CO 0.06 1.00 0.07 1.25 0.56 0.00 0.00 179.97 182.91 1pys h LEU 498 N 0.26 0.05 -0.71 3.04 5.85 -1.10 0.40 115.31 123.10 1pys h LEU 498 Ca -0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pys h LEU 498 Cb 1.37 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 1pys h LEU 498 CO 0.13 0.06 0.43 0.03 -0.34 0.00 0.00 178.44 178.76 1pys h ARG 499 N 0.19 0.96 -0.53 1.25 3.08 -1.44 -1.26 114.38 116.63 1pys h ARG 499 Ca 0.14 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1pys h ARG 499 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1pys h ARG 499 CO -0.16 0.67 0.05 0.93 -1.07 0.00 0.00 179.97 180.39 1pys h GLU 500 N 0.97 0.89 -0.80 0.04 5.08 -0.89 -1.32 114.58 118.55 1pys h GLU 500 Ca 0.26 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1pys h GLU 500 Cb -0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1pys h GLU 500 CO -0.05 0.89 0.37 0.28 -1.00 0.00 0.00 179.01 179.50 1pys h VAL 501 N 0.77 1.25 -0.19 3.13 2.07 -0.04 -0.89 116.25 122.35 1pys h VAL 501 Ca 0.16 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1pys h VAL 501 Cb 0.46 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pys h VAL 501 CO 0.02 0.31 0.09 -0.07 0.02 0.00 0.00 177.57 177.93 1pys h LEU 502 N 1.15 0.25 -1.28 2.57 3.38 -0.85 -1.30 115.31 119.23 1pys h LEU 502 Ca 0.27 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1pys h LEU 502 Cb 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1pys h LEU 502 CO -0.03 0.31 -0.35 0.77 0.09 0.00 0.00 178.44 179.23 1pys h SER 503 N 0.17 0.00 0.06 -0.43 4.64 -1.13 -2.09 113.55 114.77 1pys h SER 503 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1pys h SER 503 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1pys h SER 503 CO -0.01 0.35 -0.03 1.23 -0.87 0.00 0.00 176.83 177.51 1pys h GLY 504 N 1.16 -0.08 0.70 -0.77 0.00 -0.69 -3.00 103.07 100.39 1pys h GLY 504 Ca -0.00 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.46 1pys h GLY 504 CO 0.05 -0.03 0.57 1.41 0.00 0.00 0.00 176.54 178.54 1pys h LEU 505 N -0.27 0.78 0.00 3.11 3.38 -1.10 -3.46 115.31 117.75 1pys h LEU 505 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pys h LEU 505 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1pys h LEU 505 CO 0.01 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1pys n GLY 506 N -1.41 -0.98 3.75 0.83 0.00 -1.08 -5.12 105.19 101.19 1pys n GLY 506 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1pys n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pys s PHE 507 N 0.00 3.90 -0.27 1.61 0.40 -0.81 -4.90 117.98 117.92 1pys s PHE 507 Ca 0.00 1.88 -0.10 0.00 -0.60 0.00 0.00 56.93 58.10 1pys s PHE 507 Cb 0.00 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.48 1pys s PHE 507 CO 0.00 0.32 0.17 -1.14 0.70 0.00 0.00 175.22 175.27 1pys s GLN 508 N -1.33 3.94 0.35 0.44 2.00 0.03 -4.14 119.66 120.95 1pys s GLN 508 Ca 0.43 -0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 53.17 1pys s GLN 508 Cb -0.26 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 29.85 1pys s GLN 508 CO 0.32 -0.14 1.36 -2.00 -0.50 0.00 0.00 175.29 174.33 1pys s GLU 509 N 1.61 4.27 0.02 1.67 2.12 -1.26 -2.25 118.70 124.88 1pys s GLU 509 Ca 0.07 2.32 0.03 0.00 0.36 0.00 0.00 54.97 57.75 1pys s GLU 509 Cb -0.15 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1pys s GLU 509 CO 0.09 -0.30 -0.10 0.08 -0.54 0.00 0.00 175.26 174.49 1pys s VAL 510 N -1.14 0.79 -0.06 3.70 1.01 -0.50 -4.90 120.40 119.30 1pys s VAL 510 Ca 0.50 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1pys s VAL 510 Cb -0.42 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1pys s VAL 510 CO 0.56 0.02 -0.15 -0.31 0.00 0.00 0.00 175.10 175.23 1pys s TYR 511 N -0.62 2.70 0.01 5.22 1.51 -1.26 -4.57 117.35 120.34 1pys s TYR 511 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1pys s TYR 511 Cb -0.06 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1pys s TYR 511 CO 0.00 0.13 -0.02 0.99 -1.11 0.00 0.00 175.55 175.54 1pys s THR 512 N -0.60 0.11 0.62 -0.71 2.01 -1.26 -5.12 115.64 110.69 1pys s THR 512 Ca 0.09 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 1pys s THR 512 Cb -0.11 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 1pys s THR 512 CO 0.01 -0.24 1.23 -1.22 -0.69 0.00 0.00 174.62 173.71 1pys n TYR 513 N 2.30 1.73 0.21 4.92 4.01 -1.26 -4.91 117.16 124.15 1pys n TYR 513 Ca -0.18 0.43 0.08 0.00 -0.16 0.00 0.00 57.90 58.06 1pys n TYR 513 Cb 0.57 -2.25 0.42 0.00 -0.31 0.00 0.00 39.34 37.77 1pys n TYR 513 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1pys h SER 514 N 0.64 0.00 -4.09 7.72 0.02 -1.95 -3.46 113.55 112.43 1pys h SER 514 Ca -0.50 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 1pys h SER 514 Cb 1.34 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.96 1pys h SER 514 CO 0.53 0.30 0.44 -0.36 -1.14 0.00 0.00 176.83 176.60 1pys s PHE 515 N -3.73 2.63 0.02 3.45 0.08 -1.26 -1.49 117.98 117.69 1pys s PHE 515 Ca -0.00 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.60 1pys s PHE 515 Cb 0.11 -3.31 -0.02 0.00 -0.57 0.00 0.00 43.02 39.23 1pys s PHE 515 CO 0.66 -1.66 -0.05 1.41 -0.10 0.00 0.00 175.22 175.48 1pys s MET 516 N -3.31 0.40 -0.08 0.44 -2.45 0.21 -4.68 119.30 109.82 1pys s MET 516 Ca 0.73 -0.56 -0.29 0.00 -1.25 0.00 0.00 55.69 54.31 1pys s MET 516 Cb -0.25 -0.15 -0.02 0.00 1.25 0.00 0.00 34.83 35.66 1pys s MET 516 CO 0.28 0.02 0.99 0.34 1.05 0.00 0.00 175.02 177.70 1pys s ASP 517 N -1.20 7.26 0.33 1.11 -1.08 -0.39 -1.80 116.67 120.90 1pys s ASP 517 Ca -0.09 1.54 0.02 0.00 -0.52 0.00 0.00 52.55 53.50 1pys s ASP 517 Cb -0.08 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.43 1pys s ASP 517 CO -0.00 -0.40 1.94 -0.65 0.52 0.00 0.00 175.17 176.59 1pys h PRO 518 N 7.03 0.90 -0.33 4.34 0.11 -1.81 -1.39 132.00 140.85 1pys h PRO 518 Ca -0.33 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.82 1pys h PRO 518 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1pys h PRO 518 CO 0.83 0.60 0.24 1.49 -0.21 0.00 0.00 178.00 180.95 1pys h GLU 519 N 0.93 0.00 -0.30 1.05 4.57 -1.92 -1.19 114.58 117.73 1pys h GLU 519 Ca 0.34 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1pys h GLU 519 Cb 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1pys h GLU 519 CO -0.11 0.00 0.13 -0.44 -1.18 0.00 0.00 179.01 177.41 1pys h ASP 520 N 0.00 0.36 -0.16 1.04 3.32 -1.65 -0.21 116.42 119.13 1pys h ASP 520 Ca 0.16 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1pys h ASP 520 Cb 0.65 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1pys h ASP 520 CO -0.00 0.33 0.27 0.00 -1.72 0.00 0.00 179.24 178.11 1pys h ALA 521 N 1.73 1.64 0.00 3.45 0.00 -1.32 -0.84 119.26 123.93 1pys h ALA 521 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1pys h ALA 521 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pys h ALA 521 CO -0.01 -0.35 -0.55 -0.09 0.00 0.00 0.00 179.25 178.24 1pys h ARG 522 N 0.00 0.00 -1.09 0.00 2.43 -1.20 0.13 114.38 114.65 1pys h ARG 522 Ca 0.07 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.54 1pys h ARG 522 Cb 0.61 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1pys h ARG 522 CO -0.00 0.29 0.73 0.00 -1.51 0.00 0.00 179.97 179.47 1pys h ARG 523 N -1.00 0.26 -0.01 0.20 3.08 -0.75 0.90 114.38 117.05 1pys h ARG 523 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1pys h ARG 523 Cb 0.63 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1pys h ARG 523 CO -0.05 0.17 -0.52 1.19 -1.07 0.00 0.00 179.97 179.70 1pys n PHE 524 N -4.51 0.00 -2.64 3.04 3.72 -0.40 -4.84 117.46 111.82 1pys n PHE 524 Ca 0.26 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.57 1pys n PHE 524 Cb 1.01 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.59 1pys n PHE 524 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pys n ARG 525 N -0.35 -1.45 -4.42 -1.08 1.74 0.31 -4.18 116.66 107.23 1pys n ARG 525 Ca 0.07 0.60 -0.21 0.00 -0.77 0.00 0.00 57.85 57.54 1pys n ARG 525 Cb 0.39 -4.35 -0.10 0.00 -1.02 0.00 0.00 32.46 27.37 1pys n ARG 525 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pys s LEU 526 N -4.51 2.48 0.65 0.55 1.43 0.42 -4.44 118.68 115.27 1pys s LEU 526 Ca 0.29 -1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1pys s LEU 526 Cb -0.04 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.54 1pys s LEU 526 CO 0.49 -0.33 1.14 -1.81 0.23 0.00 0.00 176.35 176.07 1pys s ASP 527 N -3.44 5.00 0.77 2.29 1.11 -1.26 -4.63 116.67 116.52 1pys s ASP 527 Ca 0.29 2.15 -0.12 0.00 0.18 0.00 0.00 52.55 55.04 1pys s ASP 527 Cb 0.03 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.52 1pys s ASP 527 CO 0.12 -1.71 1.13 -2.16 1.18 0.00 0.00 175.17 173.74 1pys s PRO 528 N -3.85 2.05 0.43 8.23 0.04 -1.26 -4.91 135.00 135.73 1pys s PRO 528 Ca 0.71 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1pys s PRO 528 Cb -0.24 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1pys s PRO 528 CO 0.39 -1.84 1.46 -2.14 0.04 0.00 0.00 177.00 174.92 1pys s PRO 529 N -4.44 3.81 -0.04 0.56 0.02 -1.26 -4.97 135.00 128.67 1pys s PRO 529 Ca 0.67 2.50 0.13 0.00 0.02 0.00 0.00 61.00 64.32 1pys s PRO 529 Cb -0.22 -2.76 -0.23 0.00 0.02 0.00 0.00 34.50 31.32 1pys s PRO 529 CO 0.51 -0.75 0.67 0.54 -0.33 0.00 0.00 177.00 177.64 1pys n ARG 530 N 0.00 0.63 -4.79 5.54 1.74 -1.26 -4.84 116.66 113.68 1pys n ARG 530 Ca 0.04 0.30 -0.33 0.00 -0.77 0.00 0.00 57.85 57.09 1pys n ARG 530 Cb 0.41 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.89 1pys n ARG 530 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pys s LEU 531 N -6.09 2.41 0.16 0.55 1.43 -1.26 -5.05 118.68 110.83 1pys s LEU 531 Ca -0.05 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1pys s LEU 531 Cb 0.08 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1pys s LEU 531 CO 0.82 0.13 -0.17 -0.76 0.23 0.00 0.00 176.35 176.60 1pys s LEU 532 N 0.56 2.44 0.20 1.79 1.43 -1.26 -1.32 118.68 122.52 1pys s LEU 532 Ca -0.11 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.07 1pys s LEU 532 Cb -0.16 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1pys s LEU 532 CO 0.04 -0.07 0.48 -0.76 0.23 0.00 0.00 176.35 176.27 1pys s LEU 533 N -2.65 4.19 0.13 1.79 1.02 -0.58 -4.98 118.68 117.60 1pys s LEU 533 Ca 0.15 0.76 0.22 0.00 0.02 0.00 0.00 54.13 55.27 1pys s LEU 533 Cb -0.05 -3.51 -0.09 0.00 0.02 0.00 0.00 46.19 42.55 1pys s LEU 533 CO 0.06 -0.04 0.88 0.18 0.02 0.00 0.00 176.35 177.45 1pys n LEU 534 N -0.17 0.65 -3.18 1.79 4.77 -1.26 -4.51 117.00 115.09 1pys n LEU 534 Ca -0.01 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 56.02 1pys n LEU 534 Cb 0.52 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1pys n LEU 534 CO 0.47 -0.10 -0.21 -0.46 -1.33 0.00 0.00 177.39 175.76 1pys n ASN 535 N -2.61 1.00 -4.76 -1.43 6.94 -1.26 -5.13 115.26 108.01 1pys n ASN 535 Ca -0.02 -2.97 -0.35 0.00 -0.02 0.00 0.00 54.58 51.21 1pys n ASN 535 Cb 0.60 -0.62 0.03 0.00 -2.36 0.00 0.00 39.78 37.43 1pys n ASN 535 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1pys s PRO 536 N -2.11 2.94 0.43 -0.53 0.04 -1.26 -4.94 135.00 129.57 1pys s PRO 536 Ca 0.39 1.63 0.21 0.00 0.04 0.00 0.00 61.00 63.27 1pys s PRO 536 Cb 0.28 -1.95 0.96 0.00 0.04 0.00 0.00 34.50 33.83 1pys s PRO 536 CO -0.09 -1.18 1.87 -0.07 0.04 0.00 0.00 177.00 177.57 1pys h LEU 537 N 0.60 0.00 -7.00 -3.56 3.38 -2.01 -3.45 115.31 103.27 1pys h LEU 537 Ca -0.49 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.65 1pys h LEU 537 Cb 1.27 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.82 1pys h LEU 537 CO 0.55 0.27 0.68 0.00 0.09 0.00 0.00 178.44 180.03 1pys s ALA 538 N -3.91 -1.98 0.37 1.53 0.00 -1.26 -5.03 121.76 111.47 1pys s ALA 538 Ca -0.01 1.49 0.12 0.00 0.00 0.00 0.00 51.96 53.56 1pys s ALA 538 Cb 0.12 -0.32 0.92 0.00 0.00 0.00 0.00 23.12 23.85 1pys s ALA 538 CO 0.65 -0.50 1.82 -1.00 0.00 0.00 0.00 175.76 176.74 1pys h PRO 539 N 2.16 0.56 0.00 0.00 0.13 -2.00 0.21 132.00 133.06 1pys h PRO 539 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1pys h PRO 539 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1pys h PRO 539 CO 0.27 0.37 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 1pys n GLU 540 N -4.62 0.30 -1.04 0.86 4.71 -1.26 -2.52 120.64 117.06 1pys n GLU 540 Ca 0.21 0.05 0.01 0.00 -0.01 0.00 0.00 57.16 57.42 1pys n GLU 540 Cb 0.64 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.71 1pys n GLU 540 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1pys n LYS 541 N -1.32 1.68 -0.01 3.49 5.02 0.70 -1.26 118.16 126.46 1pys n LYS 541 Ca 0.11 -3.26 0.14 0.00 -2.02 0.00 0.00 58.31 53.28 1pys n LYS 541 Cb 0.22 -1.48 0.55 0.00 -0.02 0.00 0.00 35.03 34.29 1pys n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pys n ALA 542 N -0.79 2.58 -2.18 7.82 0.00 -1.05 -4.46 120.51 122.43 1pys n ALA 542 Ca 0.21 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1pys n ALA 542 Cb 0.81 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1pys n ALA 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pys s ALA 543 N -1.98 1.03 -0.21 0.00 0.00 -0.74 -1.53 121.76 118.33 1pys s ALA 543 Ca 0.38 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 1pys s ALA 543 Cb 0.21 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1pys s ALA 543 CO 0.33 -0.46 0.11 -0.51 0.00 0.00 0.00 175.76 175.22 1pys s LEU 544 N -3.10 3.96 0.18 0.00 1.43 -0.43 0.67 118.68 121.40 1pys s LEU 544 Ca 0.26 0.10 -0.33 0.00 -1.03 0.00 0.00 54.13 53.14 1pys s LEU 544 Cb 0.07 -2.03 -0.15 0.00 0.03 0.00 0.00 46.19 44.11 1pys s LEU 544 CO 0.04 0.13 1.24 -2.11 0.23 0.00 0.00 176.35 175.88 1pys n ARG 545 N 3.85 1.39 -0.01 1.70 1.85 -0.56 -4.65 116.66 120.23 1pys n ARG 545 Ca -0.16 0.50 0.06 0.00 -1.00 0.00 0.00 57.85 57.25 1pys n ARG 545 Cb 0.52 -2.05 -0.14 0.00 -1.05 0.00 0.00 32.46 29.74 1pys n ARG 545 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1pys n THR 546 N 1.70 0.44 -4.19 8.89 -2.24 -1.26 -0.85 114.28 116.77 1pys n THR 546 Ca 0.14 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1pys n THR 546 Cb 0.26 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 1pys n THR 546 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pys s HIS 547 N -3.25 0.98 -0.21 4.78 3.76 -1.26 -4.66 115.29 115.43 1pys s HIS 547 Ca -0.07 -1.01 -0.15 0.00 -0.15 0.00 0.00 55.06 53.69 1pys s HIS 547 Cb 0.12 -0.57 -0.19 0.00 1.11 0.00 0.00 32.58 33.05 1pys s HIS 547 CO 0.87 -0.24 0.08 -0.11 -0.85 0.00 0.00 174.74 174.49 1pys n LEU 548 N -0.11 2.15 -0.30 0.89 7.94 -1.26 -4.58 117.00 121.73 1pys n LEU 548 Ca -0.09 0.31 0.13 0.00 -1.11 0.00 0.00 56.01 55.25 1pys n LEU 548 Cb 0.62 -0.96 0.30 0.00 0.53 0.00 0.00 43.42 43.91 1pys n LEU 548 CO 0.31 0.53 0.95 2.19 -1.11 0.00 0.00 177.39 180.27 1pys h PHE 549 N -0.68 0.39 -0.81 1.96 -5.15 -1.95 -2.00 116.94 108.69 1pys h PHE 549 Ca -0.47 0.05 0.19 0.00 -0.20 0.00 0.00 57.97 57.54 1pys h PHE 549 Cb 1.59 -0.03 -0.12 0.00 0.22 0.00 0.00 35.95 37.61 1pys h PHE 549 CO 0.05 -0.20 0.23 -1.35 -2.00 0.00 0.00 178.31 175.04 1pys h PRO 550 N 0.22 0.27 -0.49 6.09 0.11 -2.00 0.48 132.00 136.68 1pys h PRO 550 Ca 0.56 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.60 1pys h PRO 550 Cb 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1pys h PRO 550 CO -0.65 0.18 0.09 0.78 -0.21 0.00 0.00 178.00 178.19 1pys h GLY 551 N 0.28 0.87 1.00 -0.55 0.00 -1.66 -1.38 103.07 101.63 1pys h GLY 551 Ca 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1pys h GLY 551 CO -0.56 0.53 0.10 1.41 0.00 0.00 0.00 176.54 178.02 1pys h LEU 552 N 0.69 0.18 -0.76 3.11 3.38 -1.16 -0.16 115.31 120.60 1pys h LEU 552 Ca 0.15 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1pys h LEU 552 Cb 0.37 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1pys h LEU 552 CO 0.01 0.14 0.39 0.58 0.09 0.00 0.00 178.44 179.64 1pys h VAL 553 N 0.21 0.84 -0.09 1.22 2.07 -0.74 0.39 116.25 120.15 1pys h VAL 553 Ca 0.06 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1pys h VAL 553 Cb -0.02 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1pys h VAL 553 CO -0.01 0.12 0.02 0.03 0.02 0.00 0.00 177.57 177.74 1pys h ARG 554 N 0.64 0.14 -0.01 1.57 3.08 -0.51 -2.10 114.38 117.19 1pys h ARG 554 Ca 0.38 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1pys h ARG 554 Cb 0.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pys h ARG 554 CO -0.28 0.34 0.02 -0.39 -1.07 0.00 0.00 179.97 178.59 1pys h VAL 555 N -0.08 0.52 -0.03 2.04 -1.51 -0.32 0.00 116.25 116.87 1pys h VAL 555 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1pys h VAL 555 Cb 0.27 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1pys h VAL 555 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 177.57 176.60 1pys h LEU 556 N 0.00 0.05 0.09 4.19 5.85 -0.33 -1.32 115.31 123.85 1pys h LEU 556 Ca 0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1pys h LEU 556 Cb 0.04 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1pys h LEU 556 CO -0.00 0.31 -0.05 0.50 -0.34 0.00 0.00 178.44 178.85 1pys h LYS 557 N -0.20 -0.14 -0.93 1.25 3.64 -0.43 -1.54 116.57 118.22 1pys h LYS 557 Ca 0.01 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1pys h LYS 557 Cb 0.28 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1pys h LYS 557 CO 0.00 -0.09 0.62 0.93 -2.27 0.00 0.00 179.45 178.64 1pys h GLU 558 N -0.14 0.40 0.04 1.90 5.08 -1.03 -0.00 114.58 120.82 1pys h GLU 558 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pys h GLU 558 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pys h GLU 558 CO 0.01 0.26 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.36 1pys h ASN 559 N 0.41 -0.05 -1.00 1.42 2.35 -0.55 -2.82 115.58 115.35 1pys h ASN 559 Ca 0.49 -0.51 0.21 0.00 -0.55 0.00 0.00 56.30 55.94 1pys h ASN 559 Cb 1.24 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.52 1pys h ASN 559 CO -0.20 0.50 0.62 -0.07 -1.65 0.00 0.00 177.43 176.63 1pys h LEU 560 N -0.62 0.68 -0.20 1.61 3.38 -0.06 0.48 115.31 120.59 1pys h LEU 560 Ca -0.01 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1pys h LEU 560 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pys h LEU 560 CO 0.01 0.22 -0.52 0.44 0.09 0.00 0.00 178.44 178.68 1pys h ASP 561 N 0.65 0.80 -0.04 -0.43 3.32 -1.35 -3.34 116.42 116.03 1pys h ASP 561 Ca 0.57 -0.58 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1pys h ASP 561 Cb 1.05 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 40.38 1pys h ASP 561 CO -0.35 1.23 -0.81 0.25 -1.72 0.00 0.00 179.24 177.84 1pys h LEU 562 N 0.40 0.78 -8.15 1.55 6.46 -0.99 -3.45 115.31 111.91 1pys h LEU 562 Ca -0.01 -0.71 -0.20 0.00 -0.12 0.00 0.00 57.88 56.84 1pys h LEU 562 Cb 1.13 -0.24 -0.19 0.00 -0.73 0.00 0.00 40.66 40.64 1pys h LEU 562 CO 0.11 1.39 -0.71 -1.81 -0.62 0.00 0.00 178.44 176.80 1pys s ASP 563 N -7.04 0.61 -0.93 1.25 1.01 0.05 -5.10 116.67 106.52 1pys s ASP 563 Ca -0.11 -0.68 -0.02 0.00 0.71 0.00 0.00 52.55 52.45 1pys s ASP 563 Cb 0.06 0.10 0.25 0.00 1.01 0.00 0.00 42.92 44.34 1pys s ASP 563 CO 0.88 -0.35 0.97 0.54 0.21 0.00 0.00 175.17 177.42 1pys n ARG 564 N 1.04 3.13 -1.65 8.23 3.00 -1.25 -3.37 116.66 125.78 1pys n ARG 564 Ca -0.20 -4.53 -0.41 0.00 -0.01 0.00 0.00 57.85 52.71 1pys n ARG 564 Cb 0.57 -2.43 0.02 0.00 0.00 0.00 0.00 32.46 30.62 1pys n ARG 564 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1pys n PRO 565 N 1.90 1.52 0.05 5.56 -0.02 -1.26 -4.87 135.00 137.88 1pys n PRO 565 Ca 0.24 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1pys n PRO 565 Cb 0.37 -2.20 0.22 0.00 -0.02 0.00 0.00 33.50 31.87 1pys n PRO 565 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pys n GLU 566 N -0.05 0.24 -3.63 -0.52 -0.58 -1.26 -4.96 120.64 109.88 1pys n GLU 566 Ca 0.09 0.08 -0.03 0.00 -0.42 0.00 0.00 57.16 56.88 1pys n GLU 566 Cb 0.40 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 1pys n GLU 566 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1pys s ARG 567 N -3.13 0.75 -0.09 3.49 1.70 -1.26 -1.51 118.95 118.89 1pys s ARG 567 Ca 0.07 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 1pys s ARG 567 Cb 0.14 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.89 1pys s ARG 567 CO 0.70 -0.34 0.79 0.00 -1.08 0.00 0.00 175.30 175.37 1pys s ALA 568 N -2.88 -1.82 -0.31 7.88 0.00 0.31 -4.95 121.76 119.99 1pys s ALA 568 Ca 0.11 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1pys s ALA 568 Cb 0.00 -0.28 0.14 0.00 0.00 0.00 0.00 23.12 22.98 1pys s ALA 568 CO -0.03 -0.35 0.30 -1.17 0.00 0.00 0.00 175.76 174.51 1pys s LEU 569 N -1.09 -0.10 0.49 0.00 2.96 -1.25 -1.05 118.68 118.64 1pys s LEU 569 Ca -0.08 -1.07 0.07 0.00 -0.22 0.00 0.00 54.13 52.83 1pys s LEU 569 Cb -0.00 0.44 0.01 0.00 0.50 0.00 0.00 46.19 47.13 1pys s LEU 569 CO 0.07 -0.35 0.38 -0.76 -1.32 0.00 0.00 176.35 174.36 1pys s LEU 570 N 2.05 2.98 -0.09 -0.68 1.43 -0.53 -0.79 118.68 123.04 1pys s LEU 570 Ca 0.12 -1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 51.85 1pys s LEU 570 Cb -0.15 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.67 1pys s LEU 570 CO -0.24 -0.90 0.80 0.72 0.23 0.00 0.00 176.35 176.96 1pys s PHE 571 N -2.66 -0.55 -0.09 0.29 -0.71 -0.95 -2.54 117.98 110.78 1pys s PHE 571 Ca 0.40 0.95 -0.12 0.00 -1.04 0.00 0.00 56.93 57.13 1pys s PHE 571 Cb -0.02 0.42 0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1pys s PHE 571 CO 0.24 -0.51 0.30 -2.00 -1.34 0.00 0.00 175.22 171.92 1pys s GLU 572 N -1.14 0.44 -0.08 1.99 2.12 0.29 -1.41 118.70 120.91 1pys s GLU 572 Ca -0.07 0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.55 1pys s GLU 572 Cb -0.00 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 1pys s GLU 572 CO 0.07 -0.08 -0.24 0.08 -0.54 0.00 0.00 175.26 174.55 1pys s VAL 573 N -0.26 2.02 0.03 3.70 1.01 -1.26 -1.46 120.40 124.17 1pys s VAL 573 Ca -0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1pys s VAL 573 Cb -0.03 -1.73 0.10 0.00 0.00 0.00 0.00 36.38 34.72 1pys s VAL 573 CO 0.01 0.55 1.17 -0.83 0.00 0.00 0.00 175.10 176.01 1pys s GLY 574 N 0.16 -0.35 0.38 4.51 0.00 -0.79 -4.99 107.32 106.25 1pys s GLY 574 Ca -0.13 0.57 -0.24 0.00 0.00 0.00 0.00 44.72 44.92 1pys s GLY 574 CO 0.07 0.11 0.97 0.50 0.00 0.00 0.00 173.10 174.75 1pys s ARG 575 N -2.72 4.33 0.00 2.90 3.00 -1.26 -0.95 118.95 124.25 1pys s ARG 575 Ca 0.13 1.30 0.02 0.00 0.00 0.00 0.00 55.73 57.18 1pys s ARG 575 Cb 0.02 -2.50 -0.01 0.00 0.00 0.00 0.00 34.95 32.47 1pys s ARG 575 CO -0.02 0.05 -0.06 0.54 0.00 0.00 0.00 175.30 175.81 1pys s VAL 576 N -1.83 0.43 -0.19 3.52 0.11 0.62 -4.91 120.40 118.14 1pys s VAL 576 Ca 0.57 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1pys s VAL 576 Cb -0.16 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1pys s VAL 576 CO 0.21 0.02 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.47 1pys s PHE 577 N -0.36 2.85 -0.30 1.54 0.40 -0.03 -0.90 117.98 121.19 1pys s PHE 577 Ca -0.00 -1.59 -0.06 0.00 -0.60 0.00 0.00 56.93 54.67 1pys s PHE 577 Cb -0.03 -1.95 0.19 0.00 0.51 0.00 0.00 43.02 41.73 1pys s PHE 577 CO -0.00 -0.78 0.91 -0.98 0.70 0.00 0.00 175.22 175.07 1pys s ARG 578 N 1.30 0.27 0.00 0.44 1.70 -1.26 -4.32 118.95 117.08 1pys s ARG 578 Ca 0.04 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.58 1pys s ARG 578 Cb -0.14 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 1pys s ARG 578 CO -0.11 -0.50 0.00 0.39 -1.08 0.00 0.00 175.30 174.01 1pys n GLU 579 N 5.22 0.00 -4.01 3.89 1.02 -1.26 -4.76 120.64 120.74 1pys n GLU 579 Ca 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 1pys n GLU 579 Cb 0.56 -0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.89 1pys n GLU 579 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pys s ARG 580 N 0.00 0.70 -0.12 3.49 0.52 -1.26 -5.13 118.95 117.15 1pys s ARG 580 Ca 0.00 -1.13 -0.22 0.00 -0.52 0.00 0.00 55.73 53.86 1pys s ARG 580 Cb 0.00 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 1pys s ARG 580 CO 0.00 -0.17 0.64 -2.00 0.02 0.00 0.00 175.30 173.79 1pys s GLU 581 N -3.90 4.34 0.03 3.54 2.12 -1.26 -4.55 118.70 119.01 1pys s GLU 581 Ca 0.07 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.10 1pys s GLU 581 Cb 0.07 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1pys s GLU 581 CO -0.10 -0.03 0.02 -1.83 -0.54 0.00 0.00 175.26 172.78 1pys s GLU 582 N 1.18 0.46 0.02 4.30 -1.05 -0.07 -4.96 118.70 118.57 1pys s GLU 582 Ca 0.33 -0.75 -0.19 0.00 -0.15 0.00 0.00 54.97 54.20 1pys s GLU 582 Cb -0.17 0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.64 1pys s GLU 582 CO 0.14 -0.09 0.55 0.99 0.95 0.00 0.00 175.26 177.80 1pys s THR 583 N -2.26 4.87 0.26 1.83 2.01 -1.26 -0.28 115.64 120.82 1pys s THR 583 Ca -0.08 1.16 0.08 0.00 0.31 0.00 0.00 61.69 63.16 1pys s THR 583 Cb -0.04 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1pys s THR 583 CO -0.04 0.49 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.28 1pys s HIS 584 N -0.62 1.96 -0.04 4.92 3.76 -0.13 -1.07 115.29 124.07 1pys s HIS 584 Ca 0.29 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1pys s HIS 584 Cb -0.18 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.48 1pys s HIS 584 CO 0.17 0.38 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.14 1pys s LEU 585 N -3.43 1.78 -0.04 0.89 2.96 0.15 -1.88 118.68 119.11 1pys s LEU 585 Ca 0.28 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 1pys s LEU 585 Cb 0.01 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.97 1pys s LEU 585 CO 0.11 0.08 0.37 0.00 -1.32 0.00 0.00 176.35 175.60 1pys s ALA 586 N 0.28 -0.94 0.26 5.97 0.00 -0.54 0.30 121.76 127.09 1pys s ALA 586 Ca -0.07 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1pys s ALA 586 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1pys s ALA 586 CO 0.02 -0.26 0.32 0.20 0.00 0.00 0.00 175.76 176.04 1pys s GLY 587 N -1.03 1.29 -0.21 0.00 0.00 -0.80 -0.55 107.32 106.02 1pys s GLY 587 Ca -0.11 -1.47 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 1pys s GLY 587 CO 0.04 -1.10 0.56 -2.27 0.00 0.00 0.00 173.10 170.32 1pys s LEU 588 N -3.16 -0.25 -0.05 0.66 0.20 -1.05 -1.77 118.68 113.26 1pys s LEU 588 Ca 0.33 1.15 0.04 0.00 0.69 0.00 0.00 54.13 56.34 1pys s LEU 588 Cb 0.03 1.90 -0.02 0.00 -0.43 0.00 0.00 46.19 47.67 1pys s LEU 588 CO 0.15 -0.20 -0.17 -0.22 -0.29 0.00 0.00 176.35 175.62 1pys s LEU 589 N 0.65 2.59 -0.00 -0.68 2.96 0.37 -1.46 118.68 123.11 1pys s LEU 589 Ca -0.03 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1pys s LEU 589 Cb -0.05 -1.52 0.04 0.00 0.50 0.00 0.00 46.19 45.17 1pys s LEU 589 CO -0.04 0.31 0.46 0.12 -1.32 0.00 0.00 176.35 175.88 1pys s PHE 590 N -0.55 -0.35 0.00 5.38 5.36 -0.21 -1.56 117.98 126.04 1pys s PHE 590 Ca 0.08 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1pys s PHE 590 Cb -0.11 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1pys s PHE 590 CO 0.01 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 1pys n GLY 591 N 0.90 -1.15 0.25 13.12 0.00 -1.26 -0.53 105.19 116.51 1pys n GLY 591 Ca -0.20 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.67 1pys n GLY 591 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pys h GLU 592 N 2.26 0.62 0.00 1.61 4.11 -1.67 -3.45 114.58 118.06 1pys h GLU 592 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pys h GLU 592 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pys h GLU 592 CO 0.00 0.41 0.00 0.41 0.07 0.00 0.00 179.01 179.90 1pys n GLY 593 N -1.28 -0.59 3.60 1.06 0.00 -1.26 -4.71 105.19 102.01 1pys n GLY 593 Ca 0.07 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 1pys n GLY 593 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pys s VAL 594 N 0.00 3.97 -3.49 1.61 1.01 -0.52 -4.94 120.40 118.04 1pys s VAL 594 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1pys s VAL 594 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1pys s VAL 594 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1pys n GLY 595 N 2.47 -1.72 3.68 4.51 0.00 -1.26 -0.78 105.19 112.08 1pys n GLY 595 Ca -0.18 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1pys n GLY 595 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pys s LEU 596 N 0.00 4.20 0.27 0.99 1.43 -1.26 -4.92 118.68 119.39 1pys s LEU 596 Ca 0.00 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1pys s LEU 596 Cb 0.00 -3.55 0.61 0.00 0.03 0.00 0.00 46.19 43.28 1pys s LEU 596 CO 0.00 -0.57 1.65 -0.65 0.23 0.00 0.00 176.35 177.01 1pys h PRO 597 N 7.38 0.18 -0.99 1.29 0.11 -1.98 0.16 132.00 138.14 1pys h PRO 597 Ca -0.28 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.57 1pys h PRO 597 Cb 1.12 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 1pys h PRO 597 CO 0.91 0.12 0.32 -2.67 -0.21 0.00 0.00 178.00 176.46 1pys n TRP 598 N -5.26 1.52 -4.08 0.65 4.27 -1.26 -4.84 117.44 108.45 1pys n TRP 598 Ca 0.19 -1.14 -0.10 0.00 -3.89 0.00 0.00 57.50 52.56 1pys n TRP 598 Cb 0.61 -0.59 -0.09 0.00 -1.36 0.00 0.00 31.31 29.88 1pys n TRP 598 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pys s ALA 599 N -1.66 0.53 -0.12 -1.67 0.00 0.04 -5.08 121.76 113.79 1pys s ALA 599 Ca 0.29 -1.25 0.18 0.00 0.00 0.00 0.00 51.96 51.17 1pys s ALA 599 Cb 0.24 0.92 -0.26 0.00 0.00 0.00 0.00 23.12 24.01 1pys s ALA 599 CO 0.06 -0.57 0.22 0.36 0.00 0.00 0.00 175.76 175.82 1pys n LYS 600 N -0.16 0.82 -1.77 0.00 0.00 -1.26 -4.76 118.16 111.03 1pys n LYS 600 Ca -0.05 -0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 57.75 1pys n LYS 600 Cb 0.64 -1.47 -0.03 0.00 -0.00 0.00 0.00 35.03 34.16 1pys n LYS 600 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1pys s GLU 601 N -2.83 4.15 0.05 -1.58 8.01 -1.26 -4.96 118.70 120.27 1pys s GLU 601 Ca -0.08 2.50 0.01 0.00 0.01 0.00 0.00 54.97 57.40 1pys s GLU 601 Cb 0.08 -4.04 -0.03 0.00 -4.31 0.00 0.00 34.13 25.83 1pys s GLU 601 CO 0.79 -0.91 -0.05 1.03 0.01 0.00 0.00 175.26 176.13 1pys s ARG 602 N 4.12 0.53 -0.22 1.61 0.52 -1.26 -4.30 118.95 119.95 1pys s ARG 602 Ca 0.84 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 1pys s ARG 602 Cb -0.41 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.99 1pys s ARG 602 CO 0.38 -0.03 0.13 -0.51 0.02 0.00 0.00 175.30 175.29 1pys s LEU 603 N -2.13 4.08 0.23 2.53 1.43 0.04 -4.96 118.68 119.90 1pys s LEU 603 Ca -0.04 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 1pys s LEU 603 Cb -0.03 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1pys s LEU 603 CO -0.03 0.11 0.93 -0.94 0.23 0.00 0.00 176.35 176.64 1pys s SER 604 N 0.77 -0.07 0.58 2.29 1.04 -1.26 -1.44 113.70 115.61 1pys s SER 604 Ca 0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1pys s SER 604 Cb -0.13 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1pys s SER 604 CO 0.02 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1pys n GLY 605 N -0.57 0.21 0.40 7.32 0.00 -1.26 -3.81 105.19 107.47 1pys n GLY 605 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 1pys n GLY 605 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pys h TYR 606 N 0.00 -1.32 0.00 1.61 3.20 -1.98 0.79 116.97 119.27 1pys h TYR 606 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1pys h TYR 606 Cb 0.00 0.66 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1pys h TYR 606 CO 0.00 -0.42 0.00 0.74 -1.64 0.00 0.00 178.16 176.84 1pys h PHE 607 N -0.21 0.00 0.08 -3.82 0.04 -1.98 0.74 116.94 111.79 1pys h PHE 607 Ca 0.18 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.81 1pys h PHE 607 Cb 0.56 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 1pys h PHE 607 CO -0.74 0.00 -0.59 1.25 -0.60 0.00 0.00 178.31 177.63 1pys h LEU 608 N 0.00 0.38 -0.84 1.54 5.85 -0.99 -2.24 115.31 119.01 1pys h LEU 608 Ca 0.00 -0.91 -0.06 0.00 0.84 0.00 0.00 57.88 57.75 1pys h LEU 608 Cb 0.35 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1pys h LEU 608 CO 0.00 1.26 0.16 0.25 -0.34 0.00 0.00 178.44 179.77 1pys h LEU 609 N -0.44 0.97 -1.82 2.25 6.46 -0.78 0.63 115.31 122.57 1pys h LEU 609 Ca -0.10 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.45 1pys h LEU 609 Cb 1.42 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1pys h LEU 609 CO 0.11 0.93 -0.10 0.50 -0.62 0.00 0.00 178.44 179.26 1pys h LYS 610 N 0.98 0.00 0.11 1.25 3.64 -0.92 -1.75 116.57 119.89 1pys h LYS 610 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1pys h LYS 610 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1pys h LYS 610 CO -0.00 0.10 -0.05 0.78 -2.27 0.00 0.00 179.45 178.01 1pys h GLY 611 N 1.18 -0.15 1.47 5.01 0.00 -0.28 -1.75 103.07 108.55 1pys h GLY 611 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1pys h GLY 611 CO 0.01 -0.06 0.21 -0.97 0.00 0.00 0.00 176.54 175.74 1pys h TYR 612 N -0.81 0.00 0.22 5.60 0.05 -0.87 0.02 116.97 121.18 1pys h TYR 612 Ca -0.02 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 1pys h TYR 612 Cb 0.56 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.33 1pys h TYR 612 CO 0.11 0.00 -1.48 -0.07 -1.05 0.00 0.00 178.16 175.67 1pys h LEU 613 N 0.00 0.72 -0.63 3.88 3.38 -1.23 -1.03 115.31 120.40 1pys h LEU 613 Ca 0.09 -0.81 -0.11 0.00 0.09 0.00 0.00 57.88 57.13 1pys h LEU 613 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1pys h LEU 613 CO -0.00 1.65 -0.15 -0.33 0.09 0.00 0.00 178.44 179.70 1pys h GLU 614 N 0.13 0.92 0.01 1.13 5.08 -0.36 0.17 114.58 121.65 1pys h GLU 614 Ca -0.25 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1pys h GLU 614 Cb 2.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1pys h GLU 614 CO 0.25 1.00 -0.00 0.00 -1.00 0.00 0.00 179.01 179.25 1pys h ALA 615 N 1.01 -0.01 -0.24 3.43 0.00 -1.09 -1.36 119.26 121.00 1pys h ALA 615 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pys h ALA 615 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1pys h ALA 615 CO 0.05 -0.46 -0.07 1.25 0.00 0.00 0.00 179.25 180.02 1pys h LEU 616 N -0.10 -0.25 -1.55 0.00 5.85 -0.86 -2.73 115.31 115.67 1pys h LEU 616 Ca -0.00 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1pys h LEU 616 Cb 0.10 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1pys h LEU 616 CO 0.00 -0.09 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.52 1pys h PHE 617 N -0.01 0.00 -0.46 1.25 0.04 -0.33 -2.57 116.94 114.86 1pys h PHE 617 Ca 0.12 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 1pys h PHE 617 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1pys h PHE 617 CO -0.25 0.24 -0.21 0.00 -0.60 0.00 0.00 178.31 177.49 1pys h ALA 618 N 1.76 0.77 -0.66 2.45 0.00 -0.96 -1.21 119.26 121.42 1pys h ALA 618 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1pys h ALA 618 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1pys h ALA 618 CO 0.03 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.23 1pys h ARG 619 N 0.80 0.95 -0.00 0.00 2.47 -1.23 0.20 114.38 117.57 1pys h ARG 619 Ca 0.11 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1pys h ARG 619 Cb 0.76 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1pys h ARG 619 CO 0.06 0.76 -0.01 1.28 0.56 0.00 0.00 179.97 182.62 1pys n LEU 620 N -4.32 0.03 -1.55 3.04 4.77 -1.04 -4.92 117.00 113.00 1pys n LEU 620 Ca 0.06 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 1pys n LEU 620 Cb 0.15 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1pys n LEU 620 CO 0.39 0.01 -0.17 0.61 -1.33 0.00 0.00 177.39 176.89 1pys n GLY 621 N 1.34 -0.16 3.68 -0.72 0.00 0.06 -4.90 105.19 104.49 1pys n GLY 621 Ca 0.13 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1pys n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pys s LEU 622 N -3.91 3.29 -0.21 0.99 1.43 -0.69 -4.89 118.68 114.69 1pys s LEU 622 Ca 0.00 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.25 1pys s LEU 622 Cb 0.00 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1pys s LEU 622 CO 0.00 -0.06 0.76 0.00 0.23 0.00 0.00 176.35 177.28 1pys s ALA 623 N -2.32 3.58 -0.05 4.21 0.00 -1.26 -4.51 121.76 121.41 1pys s ALA 623 Ca 0.33 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1pys s ALA 623 Cb -0.06 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1pys s ALA 623 CO 0.21 -0.74 -0.24 0.12 0.00 0.00 0.00 175.76 175.11 1pys s PHE 624 N 2.37 2.45 -0.09 0.00 5.36 -1.26 0.40 117.98 127.20 1pys s PHE 624 Ca 0.33 -0.63 -0.15 0.00 -0.96 0.00 0.00 56.93 55.53 1pys s PHE 624 Cb -0.16 -1.59 0.03 0.00 -0.34 0.00 0.00 43.02 40.97 1pys s PHE 624 CO 0.10 -0.16 0.37 0.50 -1.46 0.00 0.00 175.22 174.58 1pys s ARG 625 N -0.27 0.56 -0.18 10.12 3.52 -0.72 -4.99 118.95 126.98 1pys s ARG 625 Ca -0.00 0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1pys s ARG 625 Cb -0.13 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1pys s ARG 625 CO 0.03 -0.11 -0.20 0.08 -0.81 0.00 0.00 175.30 174.28 1pys s VAL 626 N -0.40 2.06 -0.03 7.11 1.01 -1.26 0.35 120.40 129.24 1pys s VAL 626 Ca -0.05 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1pys s VAL 626 Cb -0.03 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1pys s VAL 626 CO 0.02 0.53 -0.02 -1.61 0.00 0.00 0.00 175.10 174.02 1pys s GLU 627 N 1.29 2.78 0.31 2.72 2.02 -0.64 -4.91 118.70 122.27 1pys s GLU 627 Ca 0.05 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 1pys s GLU 627 Cb -0.13 -2.66 -0.10 0.00 0.10 0.00 0.00 34.13 31.35 1pys s GLU 627 CO -0.13 0.64 1.14 0.00 0.02 0.00 0.00 175.26 176.93 1pys s ALA 628 N -0.99 3.38 -0.15 5.21 0.00 -1.26 0.11 121.76 128.06 1pys s ALA 628 Ca 0.17 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1pys s ALA 628 Cb -0.11 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1pys s ALA 628 CO 0.07 -0.28 0.88 -1.14 0.00 0.00 0.00 175.76 175.29 1pys s GLN 629 N -1.65 0.75 0.28 0.00 0.74 -1.11 -4.73 119.66 113.94 1pys s GLN 629 Ca 0.47 0.30 -0.15 0.00 0.05 0.00 0.00 55.36 56.04 1pys s GLN 629 Cb -0.32 0.35 -0.08 0.00 1.10 0.00 0.00 33.01 34.06 1pys s GLN 629 CO 0.42 -0.21 0.69 0.00 -0.55 0.00 0.00 175.29 175.65 1pys s ALA 630 N -0.85 3.39 -0.03 1.58 0.00 -1.26 -3.39 121.76 121.20 1pys s ALA 630 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1pys s ALA 630 Cb -0.01 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1pys s ALA 630 CO 0.03 0.37 0.06 -0.06 0.00 0.00 0.00 175.76 176.16 1pys s PHE 631 N -1.86 -0.03 0.29 0.00 0.08 -1.26 -5.04 117.98 110.16 1pys s PHE 631 Ca 0.51 0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.75 1pys s PHE 631 Cb -0.12 -0.18 0.61 0.00 -0.57 0.00 0.00 43.02 42.77 1pys s PHE 631 CO 0.19 -0.10 1.59 -1.35 -0.10 0.00 0.00 175.22 175.44 1pys h PRO 632 N 7.19 0.04 0.00 0.24 0.11 -1.94 -0.31 132.00 137.32 1pys h PRO 632 Ca -0.43 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1pys h PRO 632 Cb 1.13 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1pys h PRO 632 CO 0.47 0.02 -0.45 0.27 -0.21 0.00 0.00 178.00 178.10 1pys h PHE 633 N 0.04 0.00 -4.44 0.65 -5.15 -1.78 -3.47 116.94 102.80 1pys h PHE 633 Ca 0.52 0.00 -0.46 0.00 -0.20 0.00 0.00 57.97 57.83 1pys h PHE 633 Cb 1.00 0.00 0.12 0.00 0.22 0.00 0.00 35.95 37.29 1pys h PHE 633 CO -0.52 0.45 0.40 -0.51 -2.00 0.00 0.00 178.31 176.13 1pys s LEU 634 N -6.49 2.49 -0.19 2.10 1.43 -0.13 -1.24 118.68 116.66 1pys s LEU 634 Ca 0.04 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 1pys s LEU 634 Cb 0.08 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1pys s LEU 634 CO 0.73 -2.18 0.52 -2.28 0.23 0.00 0.00 176.35 173.37 1pys s HIS 635 N -3.63 3.40 0.27 0.29 5.65 0.39 -3.99 115.29 117.67 1pys s HIS 635 Ca 0.65 0.81 -0.00 0.00 0.25 0.00 0.00 55.06 56.77 1pys s HIS 635 Cb -0.10 -2.66 0.63 0.00 -1.18 0.00 0.00 32.58 29.27 1pys s HIS 635 CO 0.50 -0.06 1.66 -1.35 -0.65 0.00 0.00 174.74 174.85 1pys h PRO 636 N 7.34 0.24 0.00 2.88 0.11 -1.90 -0.10 132.00 140.58 1pys h PRO 636 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pys h PRO 636 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pys h PRO 636 CO 0.74 0.16 0.00 0.78 -0.21 0.00 0.00 178.00 179.48 1pys h GLY 637 N 0.25 0.00 -6.22 -0.55 0.00 -1.98 -3.36 103.07 91.21 1pys h GLY 637 Ca 0.51 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.26 1pys h GLY 637 CO -0.60 0.00 -1.02 -0.62 0.00 0.00 0.00 176.54 174.31 1pys n VAL 638 N -2.30 -0.83 -3.73 4.60 0.31 -0.07 -5.09 118.33 111.22 1pys n VAL 638 Ca 0.04 -3.76 -0.12 0.00 -0.01 0.00 0.00 64.34 60.49 1pys n VAL 638 Cb 0.36 -1.81 -0.12 0.00 -0.91 0.00 0.00 33.84 31.36 1pys n VAL 638 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1pys s SER 639 N -0.58 -0.32 0.17 4.52 0.15 -1.11 -0.86 113.70 115.67 1pys s SER 639 Ca 0.34 0.60 -0.19 0.00 0.70 0.00 0.00 55.95 57.40 1pys s SER 639 Cb 0.10 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1pys s SER 639 CO -0.16 -0.16 0.54 -0.83 1.20 0.00 0.00 173.24 173.83 1pys s GLY 640 N 1.17 -0.31 -0.11 9.45 0.00 -0.43 -2.75 107.32 114.35 1pys s GLY 640 Ca -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 1pys s GLY 640 CO -0.08 -0.11 0.09 1.09 0.00 0.00 0.00 173.10 174.08 1pys s ARG 641 N -3.82 3.28 -0.14 2.90 1.70 0.30 -1.75 118.95 121.42 1pys s ARG 641 Ca 0.05 -0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 54.88 1pys s ARG 641 Cb -0.01 -3.05 -0.03 0.00 -0.57 0.00 0.00 34.95 31.29 1pys s ARG 641 CO -0.08 0.75 0.59 0.08 -1.08 0.00 0.00 175.30 175.57 1pys s VAL 642 N -0.98 5.09 -0.46 4.99 1.01 0.14 -1.62 120.40 128.57 1pys s VAL 642 Ca 0.14 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1pys s VAL 642 Cb -0.12 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.46 1pys s VAL 642 CO 0.03 0.22 0.25 -0.76 0.00 0.00 0.00 175.10 174.84 1pys s LEU 643 N 1.18 5.15 -0.09 3.92 2.01 0.16 -1.65 118.68 129.36 1pys s LEU 643 Ca 0.30 -2.29 -0.16 0.00 0.01 0.00 0.00 54.13 51.99 1pys s LEU 643 Cb -0.16 -1.80 -0.05 0.00 0.01 0.00 0.00 46.19 44.19 1pys s LEU 643 CO 0.12 -0.47 0.41 -0.69 1.01 0.00 0.00 176.35 176.74 1pys s VAL 644 N 0.76 5.16 -1.76 -1.59 1.01 0.12 -1.76 120.40 122.33 1pys s VAL 644 Ca 0.11 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 1pys s VAL 644 Cb -0.22 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 32.59 1pys s VAL 644 CO -0.04 0.42 0.54 -0.62 0.00 0.00 0.00 175.10 175.41 1pys n GLU 645 N 3.03 -1.50 -0.79 2.72 -0.58 0.16 -0.33 120.64 123.35 1pys n GLU 645 Ca -0.10 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1pys n GLU 645 Cb 0.52 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.76 1pys n GLU 645 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pys n GLY 646 N -1.44 1.01 3.27 0.62 0.00 -1.26 -5.03 105.19 102.36 1pys n GLY 646 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1pys n GLY 646 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pys s GLU 647 N -0.16 1.44 -0.25 1.61 -1.05 0.55 -5.05 118.70 115.79 1pys s GLU 647 Ca 0.00 -0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 53.54 1pys s GLU 647 Cb 0.00 -1.58 -0.01 0.00 -0.44 0.00 0.00 34.13 32.10 1pys s GLU 647 CO 0.00 0.40 1.42 -2.00 0.95 0.00 0.00 175.26 176.04 1pys s GLU 648 N -1.25 3.92 0.00 -4.83 2.12 -1.26 -0.70 118.70 116.69 1pys s GLU 648 Ca 0.08 1.48 0.04 0.00 0.36 0.00 0.00 54.97 56.93 1pys s GLU 648 Cb -0.09 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1pys s GLU 648 CO 0.02 -1.13 0.32 1.33 -0.54 0.00 0.00 175.26 175.26 1pys n VAL 649 N 6.16 0.00 -3.70 3.70 0.24 -0.66 -4.97 118.33 119.10 1pys n VAL 649 Ca 0.16 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1pys n VAL 649 Cb 0.46 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1pys n VAL 649 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pys n GLY 650 N 0.83 -0.66 3.42 7.63 0.00 -1.24 -2.24 105.19 112.92 1pys n GLY 650 Ca 0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1pys n GLY 650 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pys n PHE 651 N 6.33 0.45 -3.64 1.61 1.16 -0.84 0.26 117.46 122.79 1pys n PHE 651 Ca 0.00 -2.57 -0.09 0.00 -1.87 0.00 0.00 57.45 52.92 1pys n PHE 651 Cb 0.00 -0.11 -0.07 0.00 -1.61 0.00 0.00 39.48 37.69 1pys n PHE 651 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1pys s LEU 652 N 0.00 -0.79 0.00 5.98 2.96 -0.72 -2.44 118.68 123.67 1pys s LEU 652 Ca 0.14 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.41 1pys s LEU 652 Cb 0.01 2.30 0.00 0.00 0.50 0.00 0.00 46.19 48.99 1pys s LEU 652 CO 0.10 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 1pys n GLY 653 N 3.50 -1.29 3.87 7.98 0.00 -0.63 -1.31 105.19 117.31 1pys n GLY 653 Ca -0.17 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1pys n GLY 653 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pys s ALA 654 N -1.05 3.82 0.38 4.61 0.00 -0.04 -1.34 121.76 128.13 1pys s ALA 654 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 1pys s ALA 654 Cb 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 23.12 20.89 1pys s ALA 654 CO 0.00 0.60 1.44 -1.17 0.00 0.00 0.00 175.76 176.63 1pys s LEU 655 N -1.46 4.29 0.16 0.00 2.96 0.13 -0.46 118.68 124.31 1pys s LEU 655 Ca 0.24 2.96 -0.32 0.00 -0.22 0.00 0.00 54.13 56.79 1pys s LEU 655 Cb -0.14 -3.72 -0.11 0.00 0.50 0.00 0.00 46.19 42.72 1pys s LEU 655 CO 0.13 -0.88 1.79 1.57 -1.32 0.00 0.00 176.35 177.64 1pys n HIS 656 N 0.37 2.69 -0.31 5.38 -0.00 -0.38 -4.33 115.22 118.66 1pys n HIS 656 Ca 0.02 -0.07 0.10 0.00 -0.00 0.00 0.00 57.72 57.77 1pys n HIS 656 Cb 0.40 -2.71 0.26 0.00 -0.00 0.00 0.00 29.99 27.95 1pys n HIS 656 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1pys h PRO 657 N 7.75 0.55 -0.76 1.57 0.11 -1.89 -0.72 132.00 138.62 1pys h PRO 657 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pys h PRO 657 Cb 1.21 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1pys h PRO 657 CO 0.95 0.36 0.46 0.93 -0.21 0.00 0.00 178.00 180.49 1pys h GLU 658 N 0.57 1.03 -0.21 1.05 5.08 -1.98 0.31 114.58 120.43 1pys h GLU 658 Ca 0.51 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 1pys h GLU 658 Cb 0.82 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1pys h GLU 658 CO -0.42 0.72 -0.32 0.82 -1.00 0.00 0.00 179.01 178.82 1pys h ILE 659 N 1.03 1.28 0.02 3.13 2.04 -1.59 -1.19 117.51 122.23 1pys h ILE 659 Ca 0.27 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1pys h ILE 659 Cb -0.04 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1pys h ILE 659 CO -0.05 0.43 -0.01 0.00 0.00 0.00 0.00 178.15 178.51 1pys h ALA 660 N 1.30 -0.03 -0.32 1.87 0.00 -0.19 -2.48 119.26 119.42 1pys h ALA 660 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1pys h ALA 660 Cb 0.74 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1pys h ALA 660 CO 0.06 -0.48 0.15 1.96 0.00 0.00 0.00 179.25 180.94 1pys h GLN 661 N -0.10 0.31 -0.85 0.00 7.50 0.09 -1.26 115.11 120.80 1pys h GLN 661 Ca -0.00 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1pys h GLN 661 Cb 0.09 -0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.50 1pys h GLN 661 CO 0.01 0.21 0.56 1.49 -1.50 0.00 0.00 178.83 179.59 1pys h GLU 662 N 0.32 1.07 -0.15 1.46 4.81 -1.15 -2.40 114.58 118.54 1pys h GLU 662 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1pys h GLU 662 Cb 0.05 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1pys h GLU 662 CO -0.10 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 1pys n LEU 663 N -4.43 1.88 -3.52 1.64 4.77 -0.87 -4.96 117.00 111.50 1pys n LEU 663 Ca 0.10 -0.75 -0.22 0.00 -0.03 0.00 0.00 56.01 55.12 1pys n LEU 663 Cb 0.07 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1pys n LEU 663 CO 0.36 0.37 0.20 -0.62 -1.33 0.00 0.00 177.39 176.37 1pys n GLU 664 N 0.46 -7.51 -4.34 3.23 1.02 -0.53 -5.02 120.64 107.96 1pys n GLU 664 Ca 0.17 0.83 -0.25 0.00 -0.02 0.00 0.00 57.16 57.89 1pys n GLU 664 Cb 0.38 -5.86 -0.09 0.00 -0.02 0.00 0.00 31.44 25.84 1pys n GLU 664 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pys s LEU 665 N -6.97 2.89 0.99 -4.62 1.43 -0.87 -5.04 118.68 106.49 1pys s LEU 665 Ca 0.39 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1pys s LEU 665 Cb -0.17 -1.51 0.22 0.00 0.03 0.00 0.00 46.19 44.76 1pys s LEU 665 CO 0.72 0.07 1.35 -2.84 0.23 0.00 0.00 176.35 175.89 1pys s PRO 666 N -3.12 0.39 0.58 1.29 0.02 -1.26 -4.59 135.00 128.31 1pys s PRO 666 Ca 0.27 -0.52 -0.19 0.00 0.02 0.00 0.00 61.00 60.58 1pys s PRO 666 Cb -0.07 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1pys s PRO 666 CO 0.16 -2.57 1.15 -1.25 -0.33 0.00 0.00 177.00 174.16 1pys s PRO 667 N -5.95 3.13 -0.01 5.54 0.04 -1.26 -4.99 135.00 131.50 1pys s PRO 667 Ca 0.76 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 1pys s PRO 667 Cb -0.02 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1pys s PRO 667 CO 0.54 -1.04 0.05 0.08 0.04 0.00 0.00 177.00 176.67 1pys s VAL 668 N -1.80 0.04 0.03 -0.36 1.01 -1.26 -4.64 120.40 113.42 1pys s VAL 668 Ca 0.73 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1pys s VAL 668 Cb -0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1pys s VAL 668 CO 0.31 -0.17 -0.19 -1.00 0.00 0.00 0.00 175.10 174.05 1pys s HIS 669 N -0.52 2.54 0.30 5.22 3.76 -0.60 -0.69 115.29 125.30 1pys s HIS 669 Ca -0.06 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.42 1pys s HIS 669 Cb -0.04 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.19 1pys s HIS 669 CO 0.00 0.21 0.65 -0.48 -0.85 0.00 0.00 174.74 174.27 1pys s LEU 670 N -1.27 0.09 0.11 0.89 0.05 -0.45 -0.48 118.68 117.62 1pys s LEU 670 Ca 0.14 -0.92 -0.17 0.00 0.05 0.00 0.00 54.13 53.22 1pys s LEU 670 Cb -0.10 2.37 0.04 0.00 -2.05 0.00 0.00 46.19 46.45 1pys s LEU 670 CO 0.04 -1.38 0.42 0.72 -0.55 0.00 0.00 176.35 175.61 1pys s PHE 671 N -3.45 -0.25 -0.14 3.48 -0.71 -0.73 -1.61 117.98 114.58 1pys s PHE 671 Ca 0.17 -0.01 -0.09 0.00 -1.04 0.00 0.00 56.93 55.97 1pys s PHE 671 Cb -0.04 0.28 0.05 0.00 -1.21 0.00 0.00 43.02 42.10 1pys s PHE 671 CO 0.10 -0.69 0.34 -2.00 -1.34 0.00 0.00 175.22 171.63 1pys s GLU 672 N -3.57 0.33 0.20 1.99 2.12 -1.02 -1.91 118.70 116.85 1pys s GLU 672 Ca 0.01 0.63 0.04 0.00 0.36 0.00 0.00 54.97 56.01 1pys s GLU 672 Cb 0.01 -0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 1pys s GLU 672 CO -0.10 -0.13 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.95 1pys s LEU 673 N 1.06 2.27 -0.25 2.70 1.43 0.15 -1.99 118.68 124.04 1pys s LEU 673 Ca -0.07 -1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 1pys s LEU 673 Cb -0.08 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 1pys s LEU 673 CO -0.08 -0.47 0.06 -0.60 0.23 0.00 0.00 176.35 175.49 1pys s ARG 674 N -3.84 3.58 0.44 1.70 3.52 -0.95 -0.68 118.95 122.72 1pys s ARG 674 Ca 0.25 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1pys s ARG 674 Cb 0.05 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1pys s ARG 674 CO 0.06 -0.21 0.70 -0.51 -0.81 0.00 0.00 175.30 174.53 1pys s LEU 675 N 1.59 3.74 0.04 -0.88 1.43 -0.24 -4.40 118.68 119.96 1pys s LEU 675 Ca 0.06 0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 53.59 1pys s LEU 675 Cb -0.15 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1pys s LEU 675 CO 0.03 -0.52 0.78 -2.16 0.23 0.00 0.00 176.35 174.71 1pys s PRO 676 N -4.59 4.51 0.78 1.29 0.04 -1.26 -4.37 135.00 131.40 1pys s PRO 676 Ca 0.45 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1pys s PRO 676 Cb -0.10 -3.37 0.07 0.00 0.04 0.00 0.00 34.50 31.13 1pys s PRO 676 CO 0.41 0.25 1.14 -0.51 0.04 0.00 0.00 177.00 178.33 1pys s LEU 677 N 0.06 3.12 0.96 -3.56 1.43 -1.26 -4.97 118.68 114.46 1pys s LEU 677 Ca 0.39 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1pys s LEU 677 Cb -0.20 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.54 1pys s LEU 677 CO 0.23 -2.31 0.62 -2.65 0.23 0.00 0.00 176.35 172.48 1pys n PRO 678 N -3.32 -0.52 -4.56 1.29 -0.02 -1.26 -4.99 135.00 121.63 1pys n PRO 678 Ca 0.11 -0.10 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1pys n PRO 678 Cb 0.52 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.83 1pys n PRO 678 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pys s ASP 679 N -2.20 3.21 -0.18 2.55 -1.08 -1.26 -5.05 116.67 112.66 1pys s ASP 679 Ca 0.60 -0.59 0.01 0.00 -0.52 0.00 0.00 52.55 52.05 1pys s ASP 679 Cb -0.21 -1.47 0.02 0.00 -1.46 0.00 0.00 42.92 39.80 1pys s ASP 679 CO 0.65 0.07 -0.19 -0.75 0.52 0.00 0.00 175.17 175.46 1pys s LYS 680 N 0.90 2.93 0.93 4.34 2.20 -1.26 -5.12 119.74 124.66 1pys s LYS 680 Ca -0.05 -0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 54.62 1pys s LYS 680 Cb -0.15 -2.54 0.15 0.00 -1.51 0.00 0.00 37.83 33.78 1pys s LYS 680 CO -0.03 -0.22 1.09 -1.25 -0.36 0.00 0.00 175.35 174.58 1pys s PRO 681 N 1.30 0.95 -0.20 4.03 0.04 -1.26 -5.01 135.00 134.86 1pys s PRO 681 Ca 0.05 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 1pys s PRO 681 Cb -0.13 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1pys s PRO 681 CO -0.13 -2.41 0.81 -1.17 0.04 0.00 0.00 177.00 174.14 1pys s LEU 682 N -6.29 4.13 -0.42 -3.56 2.96 -1.26 -5.00 118.68 109.24 1pys s LEU 682 Ca 0.64 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1pys s LEU 682 Cb -0.18 -3.18 0.11 0.00 0.50 0.00 0.00 46.19 43.44 1pys s LEU 682 CO 0.57 -0.43 0.17 0.00 -1.32 0.00 0.00 176.35 175.34 1pys s ALA 683 N 2.39 3.11 0.22 5.97 0.00 -1.26 -5.08 121.76 127.11 1pys s ALA 683 Ca 0.36 -2.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.29 1pys s ALA 683 Cb -0.16 -2.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1pys s ALA 683 CO 0.10 -1.82 1.35 0.12 0.00 0.00 0.00 175.76 175.51 1pys s PHE 684 N 0.68 3.18 -0.33 0.00 5.36 -1.26 -4.99 117.98 120.63 1pys s PHE 684 Ca 0.12 1.16 0.03 0.00 -0.96 0.00 0.00 56.93 57.27 1pys s PHE 684 Cb -0.21 -3.67 0.10 0.00 -0.34 0.00 0.00 43.02 38.89 1pys s PHE 684 CO -0.05 -2.14 0.05 -0.65 -1.46 0.00 0.00 175.22 170.97 1pys s GLN 685 N -0.20 1.35 -0.13 10.12 -1.52 -1.26 -5.08 119.66 122.94 1pys s GLN 685 Ca 0.58 -1.64 -0.32 0.00 -1.95 0.00 0.00 55.36 52.03 1pys s GLN 685 Cb -0.38 -2.90 -0.10 0.00 -0.22 0.00 0.00 33.01 29.41 1pys s GLN 685 CO 0.40 -0.92 2.02 -3.47 -0.25 0.00 0.00 175.29 173.07 1pys n ASP 686 N 4.41 3.39 -4.76 5.90 -0.08 -1.26 -4.90 116.55 119.25 1pys n ASP 686 Ca 0.01 0.71 -0.37 0.00 -1.51 0.00 0.00 54.79 53.63 1pys n ASP 686 Cb 0.42 -1.43 0.02 0.00 2.34 0.00 0.00 41.12 42.47 1pys n ASP 686 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1pys s PRO 687 N 4.97 3.28 0.26 -0.67 0.04 -1.26 -4.97 135.00 136.65 1pys s PRO 687 Ca 0.96 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.68 1pys s PRO 687 Cb -0.58 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.66 1pys s PRO 687 CO 0.46 -1.00 1.26 0.45 0.04 0.00 0.00 177.00 178.20 1pys s SER 688 N -1.26 6.94 0.00 6.66 0.15 -1.26 -4.92 113.70 120.01 1pys s SER 688 Ca 0.71 2.47 0.14 0.00 0.70 0.00 0.00 55.95 59.96 1pys s SER 688 Cb -0.34 -2.63 0.40 0.00 -1.71 0.00 0.00 66.02 61.74 1pys s SER 688 CO 0.39 -0.44 1.33 0.54 1.20 0.00 0.00 173.24 176.27 1pys n ARG 689 N 1.67 2.03 -4.41 5.44 5.12 -1.26 -4.88 116.66 120.37 1pys n ARG 689 Ca 0.02 -1.60 -0.33 0.00 -1.93 0.00 0.00 57.85 54.01 1pys n ARG 689 Cb 0.43 -1.35 -0.10 0.00 -1.16 0.00 0.00 32.46 30.28 1pys n ARG 689 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1pys s HIS 690 N -1.41 2.99 0.33 -1.55 3.76 -1.26 -5.10 115.29 113.06 1pys s HIS 690 Ca 0.30 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.97 1pys s HIS 690 Cb 0.16 -1.66 -0.13 0.00 1.11 0.00 0.00 32.58 32.06 1pys s HIS 690 CO 0.20 0.41 1.22 -0.35 -0.85 0.00 0.00 174.74 175.37 1pys n PRO 691 N 1.65 1.94 -1.87 8.40 -0.04 -1.26 -4.84 135.00 138.98 1pys n PRO 691 Ca -0.16 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 63.68 1pys n PRO 691 Cb 0.53 -2.21 0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1pys n PRO 691 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pys s ALA 692 N -1.09 2.79 -0.10 0.55 0.00 -1.26 -4.71 121.76 117.94 1pys s ALA 692 Ca 0.56 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1pys s ALA 692 Cb -0.60 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1pys s ALA 692 CO 0.62 -1.32 -0.23 0.00 0.00 0.00 0.00 175.76 174.82 1pys s ALA 693 N -3.41 2.19 0.32 0.00 0.00 0.17 -4.95 121.76 116.08 1pys s ALA 693 Ca 0.59 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1pys s ALA 693 Cb -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1pys s ALA 693 CO 0.51 0.30 0.40 -0.06 0.00 0.00 0.00 175.76 176.91 1pys s PHE 694 N 0.30 3.10 -0.28 0.00 0.40 -1.26 0.11 117.98 120.35 1pys s PHE 694 Ca -0.17 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 55.69 1pys s PHE 694 Cb -0.18 -1.87 0.15 0.00 0.51 0.00 0.00 43.02 41.63 1pys s PHE 694 CO 0.08 0.11 1.18 0.50 0.70 0.00 0.00 175.22 177.80 1pys s ARG 695 N -4.09 0.34 0.10 0.44 6.06 -0.99 -4.93 118.95 115.88 1pys s ARG 695 Ca 0.42 0.35 0.09 0.00 -2.50 0.00 0.00 55.73 54.10 1pys s ARG 695 Cb -0.08 0.17 -0.04 0.00 0.06 0.00 0.00 34.95 35.06 1pys s ARG 695 CO 0.29 -0.05 -0.23 -0.51 -2.50 0.00 0.00 175.30 172.30 1pys s ASP 696 N -0.02 3.54 -0.22 -2.12 1.11 -1.08 -0.14 116.67 117.74 1pys s ASP 696 Ca 0.04 -0.62 -0.26 0.00 0.18 0.00 0.00 52.55 51.89 1pys s ASP 696 Cb -0.04 -0.39 0.08 0.00 1.07 0.00 0.00 42.92 43.63 1pys s ASP 696 CO -0.09 0.20 0.75 -1.48 1.18 0.00 0.00 175.17 175.73 1pys s LEU 697 N -1.85 -0.69 0.05 1.23 0.05 -0.18 -2.78 118.68 114.50 1pys s LEU 697 Ca 0.15 1.20 0.06 0.00 0.05 0.00 0.00 54.13 55.59 1pys s LEU 697 Cb -0.10 2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 46.42 1pys s LEU 697 CO 0.06 -0.32 -0.13 0.00 -0.55 0.00 0.00 176.35 175.41 1pys s ALA 698 N -0.03 2.79 -0.09 1.48 0.00 0.15 0.22 121.76 126.28 1pys s ALA 698 Ca -0.02 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1pys s ALA 698 Cb -0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1pys s ALA 698 CO 0.02 0.60 -0.23 0.08 0.00 0.00 0.00 175.76 176.23 1pys s VAL 699 N -1.02 1.98 -0.18 0.00 1.01 -0.61 -2.45 120.40 119.14 1pys s VAL 699 Ca 0.17 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1pys s VAL 699 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1pys s VAL 699 CO 0.08 0.54 0.43 -0.69 0.00 0.00 0.00 175.10 175.46 1pys s VAL 700 N 0.24 5.19 0.00 2.92 1.01 -0.03 -0.85 120.40 128.89 1pys s VAL 700 Ca -0.15 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1pys s VAL 700 Cb -0.17 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1pys s VAL 700 CO 0.07 0.27 -0.04 -0.69 0.00 0.00 0.00 175.10 174.71 1pys s VAL 701 N 1.13 0.33 0.18 2.92 1.01 0.74 -2.25 120.40 124.46 1pys s VAL 701 Ca 0.21 -0.31 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1pys s VAL 701 Cb -0.15 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 35.81 1pys s VAL 701 CO 0.08 0.01 1.73 -2.16 0.00 0.00 0.00 175.10 174.76 1pys s PRO 702 N -0.32 4.14 0.13 2.72 0.04 -1.26 0.16 135.00 140.60 1pys s PRO 702 Ca -0.01 2.57 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 1pys s PRO 702 Cb -0.03 -3.21 0.19 0.00 0.04 0.00 0.00 34.50 31.49 1pys s PRO 702 CO -0.00 -0.75 0.73 0.00 0.04 0.00 0.00 177.00 177.01 1pys n ALA 703 N 4.40 0.07 0.31 8.56 0.00 -0.30 -0.19 120.51 133.36 1pys n ALA 703 Ca 0.16 0.50 0.19 0.00 0.00 0.00 0.00 53.44 54.30 1pys n ALA 703 Cb 0.36 -0.29 0.95 0.00 0.00 0.00 0.00 19.45 20.48 1pys n ALA 703 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pys h PRO 704 N 0.00 0.00 -6.53 0.00 0.13 -1.89 -3.44 132.00 120.26 1pys h PRO 704 Ca 0.21 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.82 1pys h PRO 704 Cb 0.33 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.50 1pys h PRO 704 CO -0.48 0.02 1.11 0.99 -0.23 0.00 0.00 178.00 179.42 1pys s THR 705 N -3.99 2.43 0.22 1.56 2.01 0.73 -4.93 115.64 113.67 1pys s THR 705 Ca -0.02 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1pys s THR 705 Cb 0.12 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.54 1pys s THR 705 CO 0.49 0.00 1.30 -2.16 -0.69 0.00 0.00 174.62 173.56 1pys s PRO 706 N 2.59 4.39 0.28 4.92 0.04 -1.26 -4.92 135.00 141.03 1pys s PRO 706 Ca 0.81 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.93 1pys s PRO 706 Cb -0.47 -3.17 0.58 0.00 0.04 0.00 0.00 34.50 31.48 1pys s PRO 706 CO 0.36 -0.23 1.78 -0.92 0.04 0.00 0.00 177.00 178.03 1pys h TYR 707 N 5.03 0.91 -0.62 0.56 3.20 -1.96 -1.13 116.97 122.96 1pys h TYR 707 Ca -0.45 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.52 1pys h TYR 707 Cb 1.22 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1pys h TYR 707 CO 0.61 0.24 0.41 0.78 -1.64 0.00 0.00 178.16 178.56 1pys h GLY 708 N 0.72 0.71 1.20 1.82 0.00 -1.94 -1.06 103.07 104.52 1pys h GLY 708 Ca 0.50 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.42 1pys h GLY 708 CO -0.35 0.16 -0.55 -2.09 0.00 0.00 0.00 176.54 173.71 1pys h GLU 709 N 0.55 0.84 -0.06 4.80 4.81 -1.59 -1.81 114.58 122.11 1pys h GLU 709 Ca 0.27 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1pys h GLU 709 Cb 0.36 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pys h GLU 709 CO -0.08 1.17 0.01 0.28 -0.73 0.00 0.00 179.01 179.66 1pys h VAL 710 N 0.65 1.20 -0.77 0.32 2.07 -1.28 -2.39 116.25 116.05 1pys h VAL 710 Ca 0.01 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1pys h VAL 710 Cb 1.15 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1pys h VAL 710 CO 0.12 0.17 0.42 -0.08 0.02 0.00 0.00 177.57 178.22 1pys h GLU 711 N -0.12 0.68 -0.53 1.57 4.81 -1.18 -0.07 114.58 119.73 1pys h GLU 711 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1pys h GLU 711 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pys h GLU 711 CO 0.00 0.45 0.12 0.00 -0.73 0.00 0.00 179.01 178.85 1pys h ALA 712 N 1.44 1.21 0.25 2.92 0.00 -1.20 -1.48 119.26 122.40 1pys h ALA 712 Ca 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pys h ALA 712 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pys h ALA 712 CO -0.26 0.54 -0.12 1.25 0.00 0.00 0.00 179.25 180.67 1pys h LEU 713 N 0.79 -0.28 -0.65 0.00 6.46 -0.56 0.91 115.31 121.98 1pys h LEU 713 Ca 0.17 -0.24 0.08 0.00 -0.12 0.00 0.00 57.88 57.78 1pys h LEU 713 Cb 0.30 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 1pys h LEU 713 CO -0.00 0.13 0.31 0.58 -0.62 0.00 0.00 178.44 178.84 1pys h VAL 714 N -0.75 0.86 0.44 1.05 2.07 -1.06 -1.34 116.25 117.52 1pys h VAL 714 Ca -0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1pys h VAL 714 Cb 0.50 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1pys h VAL 714 CO 0.06 0.10 -0.21 -0.09 0.02 0.00 0.00 177.57 177.45 1pys h ARG 715 N 0.55 -0.57 -0.07 1.57 2.43 -1.22 0.13 114.38 117.20 1pys h ARG 715 Ca 0.31 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1pys h ARG 715 Cb 0.31 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1pys h ARG 715 CO -0.25 -0.34 0.06 0.93 -1.51 0.00 0.00 179.97 178.85 1pys h GLU 716 N -0.65 0.00 0.00 0.20 4.39 -0.53 -2.74 114.58 115.25 1pys h GLU 716 Ca -0.06 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.36 1pys h GLU 716 Cb 0.48 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 1pys h GLU 716 CO 0.10 0.00 -1.65 0.00 -1.16 0.00 0.00 179.01 176.29 1pys h ALA 717 N 1.96 0.75 0.00 3.43 0.00 -1.01 -3.37 119.26 121.02 1pys h ALA 717 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1pys h ALA 717 Cb 0.14 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pys h ALA 717 CO -0.00 1.52 0.29 0.00 0.00 0.00 0.00 179.25 181.05 1pys h ALA 718 N 1.04 1.27 0.00 0.00 0.00 -0.42 -3.40 119.26 117.76 1pys h ALA 718 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pys h ALA 718 Cb 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1pys h ALA 718 CO 0.08 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1pys n GLY 719 N -1.22 -3.54 0.05 0.00 0.00 -1.26 -4.33 105.19 94.88 1pys n GLY 719 Ca -0.02 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1pys n GLY 719 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pys n PRO 720 N -0.25 0.09 -0.20 1.61 -0.04 -1.26 -3.21 135.00 131.75 1pys n PRO 720 Ca 0.00 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1pys n PRO 720 Cb 0.00 -1.64 0.27 0.00 -0.04 0.00 0.00 33.50 32.09 1pys n PRO 720 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pys n TYR 721 N -1.80 0.52 -2.62 0.54 4.01 -1.26 -4.91 117.16 111.64 1pys n TYR 721 Ca 0.04 -0.26 -0.41 0.00 -0.16 0.00 0.00 57.90 57.11 1pys n TYR 721 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.27 1pys n TYR 721 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pys s LEU 722 N -1.34 4.45 -0.19 7.72 2.96 -1.20 -0.52 118.68 130.56 1pys s LEU 722 Ca 0.37 1.87 -0.09 0.00 -0.22 0.00 0.00 54.13 56.05 1pys s LEU 722 Cb 0.20 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.23 1pys s LEU 722 CO 0.28 -0.21 -0.24 1.21 -1.32 0.00 0.00 176.35 176.07 1pys n GLU 723 N 3.14 0.39 -4.03 1.98 2.13 0.72 -4.88 120.64 120.09 1pys n GLU 723 Ca 0.04 0.17 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 1pys n GLU 723 Cb 0.48 -1.16 -0.11 0.00 0.27 0.00 0.00 31.44 30.92 1pys n GLU 723 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1pys s SER 724 N -6.66 0.62 -0.09 4.31 0.01 -1.19 -5.01 113.70 105.70 1pys s SER 724 Ca -0.26 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 1pys s SER 724 Cb 0.10 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.43 1pys s SER 724 CO 0.33 -0.23 0.19 -0.22 0.41 0.00 0.00 173.24 173.72 1pys s LEU 725 N -1.47 0.14 0.00 2.44 0.20 -1.26 -1.55 118.68 117.18 1pys s LEU 725 Ca -0.12 0.40 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 1pys s LEU 725 Cb -0.10 0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 46.09 1pys s LEU 725 CO -0.00 -0.21 0.02 0.00 -0.29 0.00 0.00 176.35 175.86 1pys s ALA 726 N 1.91 -0.02 -0.32 5.97 0.00 0.12 -4.97 121.76 124.45 1pys s ALA 726 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 1pys s ALA 726 Cb -0.12 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1pys s ALA 726 CO -0.07 -0.09 0.46 -1.17 0.00 0.00 0.00 175.76 174.89 1pys s LEU 727 N -0.69 4.25 -0.00 0.00 2.96 -1.26 -0.10 118.68 123.83 1pys s LEU 727 Ca -0.08 0.09 0.12 0.00 -0.22 0.00 0.00 54.13 54.04 1pys s LEU 727 Cb -0.05 -2.52 -0.14 0.00 0.50 0.00 0.00 46.19 43.98 1pys s LEU 727 CO -0.00 -0.36 0.42 2.22 -1.32 0.00 0.00 176.35 177.30 1pys n PHE 728 N 5.56 0.00 -3.72 5.38 -1.74 0.09 -4.99 117.46 118.05 1pys n PHE 728 Ca -0.06 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.71 1pys n PHE 728 Cb 0.49 -0.08 -0.11 0.00 1.52 0.00 0.00 39.48 41.30 1pys n PHE 728 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1pys s ASP 729 N -2.47 -0.43 -0.26 5.98 2.15 -1.24 -4.96 116.67 115.43 1pys s ASP 729 Ca 0.02 0.79 0.02 0.00 0.43 0.00 0.00 52.55 53.81 1pys s ASP 729 Cb 0.08 0.73 0.06 0.00 -0.30 0.00 0.00 42.92 43.50 1pys s ASP 729 CO 0.48 -0.16 -0.08 -0.22 -0.17 0.00 0.00 175.17 175.02 1pys s LEU 730 N 0.85 3.28 0.01 -1.34 2.96 -1.26 -0.33 118.68 122.85 1pys s LEU 730 Ca -0.05 -1.40 0.04 0.00 -0.22 0.00 0.00 54.13 52.49 1pys s LEU 730 Cb -0.06 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1pys s LEU 730 CO -0.06 -0.22 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.15 1pys s TYR 731 N 1.18 1.09 -0.26 5.38 5.04 -0.53 -4.96 117.35 124.29 1pys s TYR 731 Ca -0.06 -0.27 -0.06 0.00 -2.44 0.00 0.00 57.07 54.25 1pys s TYR 731 Cb -0.20 -0.68 0.13 0.00 0.35 0.00 0.00 41.96 41.57 1pys s TYR 731 CO -0.06 -0.00 0.51 1.14 -1.34 0.00 0.00 175.55 175.80 1pys s GLN 732 N -0.65 0.45 0.00 4.97 -2.07 -1.26 0.24 119.66 121.33 1pys s GLN 732 Ca 0.03 1.03 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1pys s GLN 732 Cb -0.06 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1pys s GLN 732 CO 0.00 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 1pys n GLY 733 N 5.41 -0.53 3.77 2.60 0.00 -1.26 -5.03 105.19 110.16 1pys n GLY 733 Ca -0.07 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1pys n GLY 733 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pys s PRO 734 N -1.44 4.06 -0.20 1.61 0.04 -1.26 0.25 135.00 138.07 1pys s PRO 734 Ca 0.00 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.02 1pys s PRO 734 Cb 0.00 -2.70 0.65 0.00 0.04 0.00 0.00 34.50 32.49 1pys s PRO 734 CO 0.00 -0.32 1.51 -0.35 0.04 0.00 0.00 177.00 177.88 1pys n PRO 735 N 0.11 3.98 -1.69 0.56 -0.04 -1.26 -5.09 135.00 131.58 1pys n PRO 735 Ca 0.04 -2.51 -0.44 0.00 -0.04 0.00 0.00 63.50 60.55 1pys n PRO 735 Cb 0.46 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 1pys n PRO 735 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pys n LEU 736 N 0.41 3.47 -4.59 1.53 4.77 0.14 -4.77 117.00 117.95 1pys n LEU 736 Ca 0.24 1.10 -0.55 0.00 -0.03 0.00 0.00 56.01 56.77 1pys n LEU 736 Cb 1.04 -1.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 1pys n LEU 736 CO 0.28 -0.18 1.52 -0.81 -1.33 0.00 0.00 177.39 176.87 1pys n PRO 737 N 2.98 1.14 -1.46 3.23 -0.04 -1.26 -4.69 135.00 134.90 1pys n PRO 737 Ca 0.14 0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 63.59 1pys n PRO 737 Cb 0.32 -2.22 0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1pys n PRO 737 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pys n GLU 738 N 6.55 0.57 -0.97 0.54 1.02 -1.26 -2.30 120.64 124.79 1pys n GLU 738 Ca 0.33 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1pys n GLU 738 Cb 0.16 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1pys n GLU 738 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pys n GLY 739 N 1.78 0.41 3.14 0.62 0.00 -1.26 -5.01 105.19 104.86 1pys n GLY 739 Ca 0.11 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1pys n GLY 739 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pys s HIS 740 N -2.00 0.81 0.18 1.61 3.76 -0.97 -1.15 115.29 117.52 1pys s HIS 740 Ca 0.00 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 1pys s HIS 740 Cb 0.00 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 1pys s HIS 740 CO 0.00 -0.16 0.01 -1.59 -0.85 0.00 0.00 174.74 172.15 1pys s LYS 741 N -3.42 1.12 -0.02 1.40 -2.85 0.12 -4.23 119.74 111.86 1pys s LYS 741 Ca 0.07 -1.55 0.06 0.00 -1.00 0.00 0.00 55.97 53.56 1pys s LYS 741 Cb 0.03 -0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 1pys s LYS 741 CO -0.04 -0.15 -0.21 -1.54 0.10 0.00 0.00 175.35 173.50 1pys s SER 742 N -3.18 2.45 -0.28 0.03 1.04 0.64 -0.18 113.70 114.22 1pys s SER 742 Ca 0.25 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1pys s SER 742 Cb 0.06 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.96 1pys s SER 742 CO 0.05 0.26 -0.05 -0.76 0.98 0.00 0.00 173.24 173.72 1pys s LEU 743 N -0.49 3.69 0.06 2.42 1.43 -0.03 -1.46 118.68 124.30 1pys s LEU 743 Ca 0.08 -1.31 -0.27 0.00 -1.03 0.00 0.00 54.13 51.59 1pys s LEU 743 Cb -0.08 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1pys s LEU 743 CO -0.01 -0.23 0.86 0.00 0.23 0.00 0.00 176.35 177.20 1pys s ALA 744 N 1.19 3.29 -0.05 4.21 0.00 0.55 -1.57 121.76 129.39 1pys s ALA 744 Ca -0.07 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1pys s ALA 744 Cb -0.20 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1pys s ALA 744 CO -0.03 -0.02 -0.10 -0.06 0.00 0.00 0.00 175.76 175.55 1pys s PHE 745 N 0.15 1.22 -0.23 0.00 0.08 0.13 -0.73 117.98 118.61 1pys s PHE 745 Ca 0.43 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.96 1pys s PHE 745 Cb -0.21 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1pys s PHE 745 CO 0.26 -0.21 0.27 -1.01 -0.10 0.00 0.00 175.22 174.43 1pys s HIS 746 N 0.55 3.33 0.27 0.36 3.76 0.86 -1.01 115.29 123.41 1pys s HIS 746 Ca -0.11 0.38 0.11 0.00 -0.15 0.00 0.00 55.06 55.29 1pys s HIS 746 Cb -0.14 -2.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 1pys s HIS 746 CO 0.02 0.01 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.32 1pys s LEU 747 N 1.26 2.93 -0.12 0.89 1.02 0.81 -0.70 118.68 124.76 1pys s LEU 747 Ca 0.12 -0.81 -0.05 0.00 0.02 0.00 0.00 54.13 53.42 1pys s LEU 747 Cb -0.14 -1.45 0.06 0.00 0.02 0.00 0.00 46.19 44.68 1pys s LEU 747 CO 0.06 0.02 0.24 -0.13 0.02 0.00 0.00 176.35 176.57 1pys s ARG 748 N -3.59 0.13 -0.08 1.70 0.52 -0.59 -2.35 118.95 114.69 1pys s ARG 748 Ca 0.31 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 56.20 1pys s ARG 748 Cb -0.06 -0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.29 1pys s ARG 748 CO 0.18 -0.28 -0.03 -0.06 0.02 0.00 0.00 175.30 175.13 1pys s PHE 749 N 2.27 3.05 -0.13 -0.53 0.40 0.12 -0.20 117.98 122.96 1pys s PHE 749 Ca 0.00 0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.37 1pys s PHE 749 Cb -0.12 -1.76 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1pys s PHE 749 CO -0.08 0.39 0.31 0.50 0.70 0.00 0.00 175.22 177.04 1pys s ARG 750 N -0.82 0.28 -0.22 0.44 3.52 0.32 0.41 118.95 122.88 1pys s ARG 750 Ca 0.12 0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 56.25 1pys s ARG 750 Cb -0.11 -0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.16 1pys s ARG 750 CO 0.02 -0.16 0.13 -1.58 -0.81 0.00 0.00 175.30 172.90 1pys s HIS 751 N 1.27 3.29 0.09 5.12 5.65 -1.26 -4.71 115.29 124.75 1pys s HIS 751 Ca -0.09 0.14 -0.35 0.00 0.25 0.00 0.00 55.06 55.01 1pys s HIS 751 Cb -0.09 -2.21 -0.16 0.00 -1.18 0.00 0.00 32.58 28.94 1pys s HIS 751 CO -0.10 0.07 1.56 -1.00 -0.65 0.00 0.00 174.74 174.62 1pys h PRO 752 N 7.32 -0.86 0.01 2.88 0.13 -1.98 -3.27 132.00 136.25 1pys h PRO 752 Ca -0.38 0.06 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 1pys h PRO 752 Cb 1.17 0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 1pys h PRO 752 CO 0.67 -0.57 -0.91 -0.22 -0.23 0.00 0.00 178.00 176.73 1pys h LYS 753 N -0.89 0.11 -3.82 0.86 3.64 -2.00 -3.40 116.57 111.07 1pys h LYS 753 Ca -0.03 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1pys h LYS 753 Cb 0.82 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.60 1pys h LYS 753 CO -0.16 0.94 -0.15 -0.98 -2.27 0.00 0.00 179.45 176.83 1pys s ARG 754 N -3.05 1.70 0.45 1.90 1.04 -1.23 -4.99 118.95 114.77 1pys s ARG 754 Ca -0.01 -1.46 -0.22 0.00 -1.04 0.00 0.00 55.73 53.00 1pys s ARG 754 Cb 0.10 0.46 -0.09 0.00 -2.04 0.00 0.00 34.95 33.39 1pys s ARG 754 CO 0.82 -0.71 1.05 0.99 -0.04 0.00 0.00 175.30 177.42 1pys s THR 755 N -3.58 3.70 0.17 4.99 2.01 -1.26 -4.09 115.64 117.58 1pys s THR 755 Ca 0.26 1.17 -0.25 0.00 0.31 0.00 0.00 61.69 63.17 1pys s THR 755 Cb -0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 1pys s THR 755 CO 0.13 -0.13 0.78 -0.76 -0.69 0.00 0.00 174.62 173.95 1pys s LEU 756 N -3.14 4.59 0.26 4.42 1.43 -1.26 -4.98 118.68 120.00 1pys s LEU 756 Ca 0.64 1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 55.09 1pys s LEU 756 Cb -0.19 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1pys s LEU 756 CO 0.24 0.20 0.94 -0.13 0.23 0.00 0.00 176.35 177.83 1pys s ARG 757 N -1.18 4.76 0.39 1.70 1.81 -1.26 -4.94 118.95 120.23 1pys s ARG 757 Ca 0.36 1.43 0.17 0.00 -1.72 0.00 0.00 55.73 55.96 1pys s ARG 757 Cb -0.23 -3.13 1.05 0.00 -0.45 0.00 0.00 34.95 32.19 1pys s ARG 757 CO 0.26 0.45 1.80 -0.44 -0.68 0.00 0.00 175.30 176.69 1pys h ASP 758 N 3.85 0.48 0.22 0.23 3.32 -2.00 0.48 116.42 123.00 1pys h ASP 758 Ca -0.46 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1pys h ASP 758 Cb 1.20 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1pys h ASP 758 CO 0.67 0.14 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.87 1pys h GLU 759 N 0.45 0.00 -0.06 3.56 3.07 -1.97 0.30 114.58 119.92 1pys h GLU 759 Ca 0.55 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.33 1pys h GLU 759 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1pys h GLU 759 CO -0.26 0.13 -0.27 0.93 -1.40 0.00 0.00 179.01 178.14 1pys h GLU 760 N 0.00 0.29 0.19 2.33 5.08 -0.42 0.47 114.58 122.53 1pys h GLU 760 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1pys h GLU 760 Cb 0.28 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1pys h GLU 760 CO 0.02 0.87 -0.09 0.28 -1.00 0.00 0.00 179.01 179.08 1pys h VAL 761 N -0.21 0.90 0.10 3.13 2.07 -1.14 -0.90 116.25 120.20 1pys h VAL 761 Ca -0.02 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1pys h VAL 761 Cb 0.91 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1pys h VAL 761 CO 0.06 0.13 -0.47 -0.33 0.02 0.00 0.00 177.57 176.97 1pys h GLU 762 N -0.56 -0.67 -1.00 1.57 4.39 -0.48 0.48 114.58 118.31 1pys h GLU 762 Ca -0.03 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.83 1pys h GLU 762 Cb 0.42 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 1pys h GLU 762 CO 0.04 -0.45 0.63 1.49 -1.16 0.00 0.00 179.01 179.57 1pys h GLU 763 N -0.70 0.99 -0.50 2.33 4.22 -0.96 -1.15 114.58 118.82 1pys h GLU 763 Ca 0.01 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.31 1pys h GLU 763 Cb 0.72 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1pys h GLU 763 CO -0.28 0.66 -0.03 0.00 -2.18 0.00 0.00 179.01 177.18 1pys h ALA 764 N 1.53 0.67 0.00 2.92 0.00 0.33 -1.82 119.26 122.89 1pys h ALA 764 Ca 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pys h ALA 764 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pys h ALA 764 CO -0.24 0.51 0.00 1.33 0.00 0.00 0.00 179.25 180.85 1pys n VAL 765 N -4.29 0.85 0.11 0.00 0.24 0.15 -1.84 118.33 113.55 1pys n VAL 765 Ca 0.01 0.20 -0.17 0.00 -2.04 0.00 0.00 64.34 62.34 1pys n VAL 765 Cb 0.34 -1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 31.52 1pys n VAL 765 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pys h SER 766 N 0.00 0.48 -0.03 -1.34 0.02 -0.39 -2.45 113.55 109.84 1pys h SER 766 Ca 0.00 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 1pys h SER 766 Cb 0.35 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1pys h SER 766 CO 0.00 1.39 -0.06 0.03 -1.14 0.00 0.00 176.83 177.05 1pys h ARG 767 N 0.09 0.23 0.23 3.45 2.47 -1.05 0.16 114.38 119.96 1pys h ARG 767 Ca -0.14 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 1pys h ARG 767 Cb 1.98 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1pys h ARG 767 CO 0.21 0.31 -0.11 0.28 0.56 0.00 0.00 179.97 181.22 1pys h VAL 768 N 0.22 0.72 -0.95 2.04 2.07 -1.56 -2.74 116.25 116.05 1pys h VAL 768 Ca 0.05 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.78 1pys h VAL 768 Cb 0.26 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1pys h VAL 768 CO 0.01 0.17 0.57 0.00 0.02 0.00 0.00 177.57 178.34 1pys h ALA 769 N -0.35 1.46 0.51 1.67 0.00 -0.92 0.12 119.26 121.74 1pys h ALA 769 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pys h ALA 769 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pys h ALA 769 CO 0.05 0.10 -0.24 1.49 0.00 0.00 0.00 179.25 180.64 1pys h GLU 770 N 0.85 -0.66 0.00 0.00 4.81 -0.74 -2.39 114.58 116.46 1pys h GLU 770 Ca 0.49 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1pys h GLU 770 Cb 0.59 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1pys h GLU 770 CO -0.30 -0.44 -0.01 0.00 -0.73 0.00 0.00 179.01 177.52 1pys h ALA 771 N -1.63 1.11 -0.29 2.92 0.00 -1.33 -0.80 119.26 119.24 1pys h ALA 771 Ca -0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1pys h ALA 771 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pys h ALA 771 CO 0.11 0.02 -0.16 1.25 0.00 0.00 0.00 179.25 180.47 1pys h LEU 772 N 0.00 0.65 0.00 0.00 5.85 -0.65 -2.92 115.31 118.24 1pys h LEU 772 Ca -0.00 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 1pys h LEU 772 Cb 0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1pys h LEU 772 CO 0.00 0.93 -0.60 0.03 -0.34 0.00 0.00 178.44 178.46 1pys h ARG 773 N 0.38 0.00 0.00 1.25 3.08 -0.72 -0.34 114.38 118.03 1pys h ARG 773 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1pys h ARG 773 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1pys h ARG 773 CO 0.05 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1pys n ALA 774 N -2.25 1.76 1.00 0.04 0.00 -0.42 -0.57 120.51 120.08 1pys n ALA 774 Ca 0.01 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1pys n ALA 774 Cb 0.76 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1pys n ALA 774 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pys n ARG 775 N -2.18 0.04 -0.17 0.00 5.12 -1.11 -4.96 116.66 113.41 1pys n ARG 775 Ca 0.03 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1pys n ARG 775 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1pys n ARG 775 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pys n GLY 776 N 1.50 1.18 3.80 -0.13 0.00 0.27 -5.10 105.19 106.71 1pys n GLY 776 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1pys n GLY 776 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pys s PHE 777 N -2.00 3.25 0.41 1.61 0.08 -0.14 -4.94 117.98 116.24 1pys s PHE 777 Ca 0.00 0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.23 1pys s PHE 777 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1pys s PHE 777 CO 0.00 0.53 0.51 0.20 -0.10 0.00 0.00 175.22 176.37 1pys s GLY 778 N -2.43 1.95 -0.57 4.36 0.00 -0.95 -3.32 107.32 106.36 1pys s GLY 778 Ca 0.30 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1pys s GLY 778 CO 0.23 -1.52 0.34 -2.27 0.00 0.00 0.00 173.10 169.88 1pys s LEU 779 N -4.28 4.69 0.64 0.66 2.96 -1.26 -0.85 118.68 121.23 1pys s LEU 779 Ca 0.52 -3.01 0.37 0.00 -0.22 0.00 0.00 54.13 51.80 1pys s LEU 779 Cb -0.08 -1.72 2.11 0.00 0.50 0.00 0.00 46.19 46.99 1pys s LEU 779 CO 0.32 -0.27 2.27 -0.09 -1.32 0.00 0.00 176.35 177.26 1pys h ARG 780 N 6.63 0.00 -1.37 1.98 2.43 -1.80 -3.44 114.38 118.82 1pys h ARG 780 Ca -0.04 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.28 1pys h ARG 780 Cb 0.91 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.21 1pys h ARG 780 CO 0.70 0.00 0.73 0.20 -1.51 0.00 0.00 179.97 180.09 1pys s GLY 781 N -4.09 -0.13 -0.03 2.80 0.00 -1.22 -4.88 107.32 99.78 1pys s GLY 781 Ca -0.05 2.30 -0.29 0.00 0.00 0.00 0.00 44.72 46.68 1pys s GLY 781 CO 0.45 1.01 0.86 -2.27 0.00 0.00 0.00 173.10 173.16 1pys s LEU 782 N -1.17 -0.42 -1.25 0.66 0.20 -1.26 -0.67 118.68 114.76 1pys s LEU 782 Ca 0.03 0.17 -0.06 0.00 0.69 0.00 0.00 54.13 54.96 1pys s LEU 782 Cb -0.01 2.10 0.01 0.00 -0.43 0.00 0.00 46.19 47.86 1pys s LEU 782 CO -0.03 -0.59 1.08 -0.67 -0.29 0.00 0.00 176.35 175.85 1pys n ASP 783 N 0.08 -5.00 -4.68 3.68 2.03 -1.12 -4.98 116.55 106.56 1pys n ASP 783 Ca -0.11 -0.54 -0.37 0.00 0.52 0.00 0.00 54.79 54.30 1pys n ASP 783 Cb 0.61 -4.84 -0.09 0.00 -0.72 0.00 0.00 41.12 36.08 1pys n ASP 783 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1pys s THR 784 N -3.32 5.33 -2.00 5.18 2.01 -1.22 -4.94 115.64 116.69 1pys s THR 784 Ca 0.40 0.32 0.15 0.00 0.31 0.00 0.00 61.69 62.88 1pys s THR 784 Cb -0.18 -3.55 0.44 0.00 0.01 0.00 0.00 72.50 69.22 1pys s THR 784 CO 0.69 0.35 1.33 -0.81 -0.69 0.00 0.00 174.62 175.49