#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5k s LEU 2 N 0.00 4.33 -0.14 4.03 2.96 -1.26 -0.71 118.68 127.89 1n5k s LEU 2 Ca 0.00 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1n5k s LEU 2 Cb 0.00 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1n5k s LEU 2 CO 0.00 -0.19 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.99 1n5k s ILE 3 N 1.79 2.07 -0.14 6.68 1.01 0.11 0.01 121.20 132.73 1n5k s ILE 3 Ca 0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1n5k s ILE 3 Cb -0.17 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1n5k s ILE 3 CO 0.11 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.47 1n5k s ALA 4 N 0.76 2.61 -0.18 9.38 0.00 -0.27 0.07 121.76 134.14 1n5k s ALA 4 Ca -0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1n5k s ALA 4 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1n5k s ALA 4 CO -0.01 0.14 0.31 0.42 0.00 0.00 0.00 175.76 176.62 1n5k s ILE 5 N 0.53 5.28 0.32 0.00 -1.09 0.10 -0.39 121.20 125.96 1n5k s ILE 5 Ca -0.08 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 58.98 1n5k s ILE 5 Cb -0.16 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1n5k s ILE 5 CO 0.04 0.34 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.37 1n5k s GLU 6 N 0.80 1.76 0.00 2.79 0.41 0.49 -0.71 118.70 124.25 1n5k s GLU 6 Ca 0.16 -1.89 0.00 0.00 -0.41 0.00 0.00 54.97 52.83 1n5k s GLU 6 Cb -0.14 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 1n5k s GLU 6 CO 0.05 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.40 1n5k n GLY 7 N -0.74 3.39 3.63 -1.39 0.00 -1.26 -1.31 105.19 107.51 1n5k n GLY 7 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1n5k n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n5k s VAL 8 N -2.00 1.82 0.21 1.61 -7.23 -1.26 -4.93 120.40 108.63 1n5k s VAL 8 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 1n5k s VAL 8 Cb 0.00 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1n5k s VAL 8 CO 0.00 0.00 1.29 -1.81 -0.31 0.00 0.00 175.10 174.27 1n5k s ASP 9 N -3.64 6.92 0.00 4.85 1.01 -1.26 -2.71 116.67 121.84 1n5k s ASP 9 Ca 0.68 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.35 1n5k s ASP 9 Cb -0.15 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1n5k s ASP 9 CO 0.57 -0.50 0.00 0.61 0.21 0.00 0.00 175.17 176.06 1n5k n GLY 10 N 2.14 0.70 0.23 0.21 0.00 -1.26 -4.50 105.19 102.71 1n5k n GLY 10 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1n5k n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5k h ALA 11 N 0.00 1.00 -0.25 4.61 0.00 -1.80 -3.40 119.26 119.42 1n5k h ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5k h ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n5k h ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1n5k n GLY 12 N 0.42 1.04 0.34 0.00 0.00 -1.26 -4.94 105.19 100.80 1n5k n GLY 12 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1n5k n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k h LYS 13 N 0.00 0.99 -0.34 1.61 1.57 -1.91 -2.74 116.57 115.76 1n5k h LYS 13 Ca 0.00 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1n5k h LYS 13 Cb 0.55 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1n5k h LYS 13 CO 0.00 0.69 0.18 0.00 -0.57 0.00 0.00 179.45 179.75 1n5k h ARG 14 N 1.01 0.35 -0.62 3.15 3.08 -2.00 -0.81 114.38 118.54 1n5k h ARG 14 Ca 0.26 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.33 1n5k h ARG 14 Cb -0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1n5k h ARG 14 CO -0.05 0.23 0.37 1.15 -1.07 0.00 0.00 179.97 180.60 1n5k h THR 15 N 0.36 1.04 -0.49 2.04 2.02 -1.91 -2.31 112.91 113.66 1n5k h THR 15 Ca 0.14 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1n5k h THR 15 Cb 0.04 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1n5k h THR 15 CO -0.09 0.13 -0.01 0.25 0.37 0.00 0.00 175.52 176.17 1n5k h LEU 16 N 0.71 0.80 -0.20 2.58 5.85 -1.21 -2.70 115.31 121.16 1n5k h LEU 16 Ca 0.26 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1n5k h LEU 16 Cb 0.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1n5k h LEU 16 CO -0.12 0.88 0.07 0.58 -0.34 0.00 0.00 178.44 179.50 1n5k h VAL 17 N 0.77 0.96 0.59 1.05 2.07 -0.64 -1.13 116.25 119.92 1n5k h VAL 17 Ca 0.15 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1n5k h VAL 17 Cb 0.48 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1n5k h VAL 17 CO 0.02 0.03 -0.48 -0.33 0.02 0.00 0.00 177.57 176.83 1n5k h GLU 18 N 0.16 -1.01 -0.66 1.57 5.08 -1.29 -0.06 114.58 118.37 1n5k h GLU 18 Ca 0.08 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1n5k h GLU 18 Cb 0.05 0.23 -0.11 0.00 0.50 0.00 0.00 28.75 29.42 1n5k h GLU 18 CO -0.08 -0.67 0.04 0.87 -1.00 0.00 0.00 179.01 178.17 1n5k h LYS 19 N -1.05 0.15 -0.31 2.33 1.57 -1.40 0.11 116.57 117.98 1n5k h LYS 19 Ca -0.08 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1n5k h LYS 19 Cb 0.88 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1n5k h LYS 19 CO -0.00 0.10 -0.07 1.25 -0.57 0.00 0.00 179.45 180.15 1n5k h LEU 20 N 0.15 0.48 0.59 2.94 5.85 -1.01 -1.58 115.31 122.73 1n5k h LEU 20 Ca 0.36 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1n5k h LEU 20 Cb 0.59 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1n5k h LEU 20 CO -0.54 0.60 -0.29 0.28 -0.34 0.00 0.00 178.44 178.15 1n5k h SER 21 N 0.47 -0.68 -0.24 1.25 0.02 0.11 -1.65 113.55 112.84 1n5k h SER 21 Ca 0.09 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1n5k h SER 21 Cb 0.42 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1n5k h SER 21 CO 0.02 -0.39 -0.03 1.23 -1.14 0.00 0.00 176.83 176.53 1n5k h GLY 22 N -0.95 0.20 0.33 -3.77 0.00 -1.12 -1.29 103.07 96.47 1n5k h GLY 22 Ca -0.08 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.43 1n5k h GLY 22 CO 0.13 -0.07 0.50 0.00 0.00 0.00 0.00 176.54 177.11 1n5k h ALA 23 N 1.22 1.34 -0.53 3.60 0.00 -1.27 -0.43 119.26 123.19 1n5k h ALA 23 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1n5k h ALA 23 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1n5k h ALA 23 CO -0.22 0.02 -0.03 0.74 0.00 0.00 0.00 179.25 179.76 1n5k h PHE 24 N 0.75 1.05 0.00 0.00 0.05 -0.64 -2.61 116.94 115.54 1n5k h PHE 24 Ca 0.47 -0.19 -0.04 0.00 3.82 0.00 0.00 57.97 62.02 1n5k h PHE 24 Cb 0.58 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.26 1n5k h PHE 24 CO -0.06 0.97 -0.20 0.00 -0.18 0.00 0.00 178.31 178.84 1n5k h ARG 25 N 0.83 0.00 -0.19 1.51 3.08 -0.10 -1.94 114.38 117.57 1n5k h ARG 25 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1n5k h ARG 25 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1n5k h ARG 25 CO 0.03 0.20 -0.17 0.00 -1.07 0.00 0.00 179.97 178.96 1n5k h ALA 26 N 1.80 0.27 0.00 0.04 0.00 -0.78 -2.58 119.26 118.01 1n5k h ALA 26 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n5k h ALA 26 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1n5k h ALA 26 CO 0.03 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1n5k n ALA 27 N -2.44 1.92 -0.74 0.00 0.00 -0.96 -4.79 120.51 113.51 1n5k n ALA 27 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n5k n ALA 27 Cb 0.38 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1n5k n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5k n GLY 28 N -0.16 0.55 3.54 0.00 0.00 -0.97 -5.07 105.19 103.07 1n5k n GLY 28 Ca 0.04 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1n5k n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k s ARG 29 N -1.42 2.55 0.18 1.61 0.52 -0.77 -5.01 118.95 116.61 1n5k s ARG 29 Ca 0.00 -0.68 -0.22 0.00 -0.52 0.00 0.00 55.73 54.30 1n5k s ARG 29 Cb 0.00 -2.46 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 1n5k s ARG 29 CO 0.00 0.62 0.73 -1.54 0.02 0.00 0.00 175.30 175.14 1n5k s SER 30 N -0.98 7.23 0.01 0.23 1.04 -1.26 -3.23 113.70 116.74 1n5k s SER 30 Ca 0.13 1.52 0.01 0.00 0.48 0.00 0.00 55.95 58.09 1n5k s SER 30 Cb -0.11 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1n5k s SER 30 CO 0.03 0.15 -0.05 -0.69 0.98 0.00 0.00 173.24 173.66 1n5k s VAL 31 N -1.28 0.34 0.02 5.02 1.01 -1.26 -0.39 120.40 123.85 1n5k s VAL 31 Ca 0.38 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1n5k s VAL 31 Cb -0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1n5k s VAL 31 CO 0.23 -0.15 -0.15 0.00 0.00 0.00 0.00 175.10 175.04 1n5k s ALA 32 N -0.68 1.22 0.02 5.51 0.00 -0.67 -5.00 121.76 122.17 1n5k s ALA 32 Ca -0.05 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1n5k s ALA 32 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1n5k s ALA 32 CO -0.00 0.26 -0.23 0.95 0.00 0.00 0.00 175.76 176.74 1n5k s THR 33 N -0.65 1.87 -0.04 0.00 -4.23 -1.26 -0.90 115.64 110.43 1n5k s THR 33 Ca 0.04 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1n5k s THR 33 Cb -0.07 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.21 1n5k s THR 33 CO 0.01 0.36 0.07 -0.22 -0.54 0.00 0.00 174.62 174.30 1n5k s LEU 34 N -0.98 0.97 0.04 4.79 2.96 -0.69 -4.98 118.68 120.79 1n5k s LEU 34 Ca 0.09 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1n5k s LEU 34 Cb -0.09 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 1n5k s LEU 34 CO 0.01 -0.13 0.03 0.00 -1.32 0.00 0.00 176.35 174.94 1n5k s ALA 35 N 1.07 3.41 0.02 5.97 0.00 -1.26 -1.64 121.76 129.33 1n5k s ALA 35 Ca -0.09 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 50.96 1n5k s ALA 35 Cb -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1n5k s ALA 35 CO -0.04 0.70 -0.25 -0.06 0.00 0.00 0.00 175.76 176.11 1n5k s PHE 36 N -1.24 2.20 0.54 0.00 0.08 -0.68 -3.77 117.98 115.10 1n5k s PHE 36 Ca 0.24 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 1n5k s PHE 36 Cb -0.12 -1.35 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1n5k s PHE 36 CO 0.16 0.07 1.10 -2.14 -0.10 0.00 0.00 175.22 174.31 1n5k s PRO 37 N -1.01 3.44 -1.37 0.24 0.02 -1.26 -4.67 135.00 130.39 1n5k s PRO 37 Ca 0.10 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 62.49 1n5k s PRO 37 Cb -0.10 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1n5k s PRO 37 CO 0.01 -0.76 2.10 0.54 -0.33 0.00 0.00 177.00 178.56 1n5k n ARG 38 N -1.28 2.80 -1.70 5.54 1.74 -1.25 -4.95 116.66 117.56 1n5k n ARG 38 Ca 0.11 -2.69 -0.44 0.00 -0.77 0.00 0.00 57.85 54.07 1n5k n ARG 38 Cb 0.51 -3.32 -0.03 0.00 -1.02 0.00 0.00 32.46 28.60 1n5k n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n5k n TYR 39 N 6.84 2.56 -0.07 -1.55 4.02 -1.26 -1.39 117.16 126.32 1n5k n TYR 39 Ca 0.51 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 1n5k n TYR 39 Cb 0.41 -2.64 0.00 0.00 -0.02 0.00 0.00 39.34 37.09 1n5k n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n5k n GLY 40 N 3.84 1.72 0.06 2.72 0.00 -1.26 -4.80 105.19 107.47 1n5k n GLY 40 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1n5k n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n5k n GLN 41 N -2.00 3.16 -3.74 1.61 1.13 -0.48 -5.01 117.38 112.04 1n5k n GLN 41 Ca 0.00 -0.31 -0.12 0.00 -1.94 0.00 0.00 57.00 54.63 1n5k n GLN 41 Cb 0.00 -0.83 -0.12 0.00 0.11 0.00 0.00 30.24 29.40 1n5k n GLN 41 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1n5k s SER 42 N -0.88 -0.34 0.24 1.08 0.15 -1.08 -5.03 113.70 107.85 1n5k s SER 42 Ca 0.03 0.63 -0.01 0.00 0.70 0.00 0.00 55.95 57.30 1n5k s SER 42 Cb 0.03 0.57 0.27 0.00 -1.71 0.00 0.00 66.02 65.17 1n5k s SER 42 CO 0.10 -0.15 1.65 0.58 1.20 0.00 0.00 173.24 176.62 1n5k h VAL 43 N 5.34 1.28 -0.93 4.45 2.07 -1.95 -1.80 116.25 124.70 1n5k h VAL 43 Ca -0.34 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 65.83 1n5k h VAL 43 Cb 1.17 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1n5k h VAL 43 CO 0.34 0.45 0.61 0.00 0.02 0.00 0.00 177.57 178.98 1n5k h ALA 44 N 1.16 1.23 -0.15 1.67 0.00 -1.96 -0.30 119.26 120.92 1n5k h ALA 44 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1n5k h ALA 44 Cb 0.76 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n5k h ALA 44 CO 0.06 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 179.68 1n5k h ALA 45 N 1.38 0.22 -0.77 0.00 0.00 -1.75 -2.07 119.26 116.27 1n5k h ALA 45 Ca 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1n5k h ALA 45 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n5k h ALA 45 CO -0.12 0.07 0.31 -0.44 0.00 0.00 0.00 179.25 179.07 1n5k h ASP 46 N -0.01 1.05 -0.22 0.00 3.45 -0.99 -0.82 116.42 118.88 1n5k h ASP 46 Ca 0.03 -0.16 -0.13 0.00 0.43 0.00 0.00 57.03 57.20 1n5k h ASP 46 Cb 0.62 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1n5k h ASP 46 CO 0.03 0.93 -0.33 0.40 -1.57 0.00 0.00 179.24 178.70 1n5k h ILE 47 N 1.12 1.28 -0.45 0.35 2.04 -1.08 -1.80 117.51 118.97 1n5k h ILE 47 Ca 0.26 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1n5k h ILE 47 Cb 0.20 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1n5k h ILE 47 CO -0.02 0.48 0.19 0.00 0.00 0.00 0.00 178.15 178.80 1n5k h ALA 48 N 1.01 0.59 -0.47 1.87 0.00 -0.90 0.03 119.26 121.39 1n5k h ALA 48 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n5k h ALA 48 Cb 0.86 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1n5k h ALA 48 CO 0.08 0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.71 1n5k h ALA 49 N 1.04 0.61 -0.36 0.00 0.00 -1.05 -1.28 119.26 118.22 1n5k h ALA 49 Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1n5k h ALA 49 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n5k h ALA 49 CO -0.01 0.21 -0.16 0.93 0.00 0.00 0.00 179.25 180.21 1n5k h GLU 50 N 0.62 0.65 -0.50 0.00 5.08 -1.17 -2.62 114.58 116.65 1n5k h GLU 50 Ca 0.16 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1n5k h GLU 50 Cb 0.17 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1n5k h GLU 50 CO -0.02 0.79 0.05 0.00 -1.00 0.00 0.00 179.01 178.83 1n5k h ALA 51 N 1.23 1.16 0.00 3.43 0.00 -0.65 -1.15 119.26 123.29 1n5k h ALA 51 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n5k h ALA 51 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1n5k h ALA 51 CO 0.04 0.55 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1n5k h LEU 52 N 0.75 0.00 -3.13 0.00 3.38 -0.86 -1.70 115.31 113.75 1n5k h LEU 52 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1n5k h LEU 52 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1n5k h LEU 52 CO 0.01 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.95 1n5k n HIS 53 N -2.53 1.30 -0.19 1.13 8.25 -0.50 -0.65 115.22 122.03 1n5k n HIS 53 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1n5k n HIS 53 Cb 0.17 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1n5k n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5k n GLY 54 N 0.83 0.60 3.94 -1.41 0.00 -0.64 -5.01 105.19 103.51 1n5k n GLY 54 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1n5k n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5k s GLU 55 N -0.80 2.06 -1.06 1.61 2.02 -0.80 -4.51 118.70 117.22 1n5k s GLU 55 Ca 0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1n5k s GLU 55 Cb 0.00 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1n5k s GLU 55 CO 0.00 -1.29 0.92 0.72 0.02 0.00 0.00 175.26 175.63 1n5k n HIS 56 N -2.91 -2.16 0.00 1.61 8.25 -1.26 -4.24 115.22 114.51 1n5k n HIS 56 Ca 0.09 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1n5k n HIS 56 Cb 0.60 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 27.34 1n5k n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5k n GLY 57 N -1.52 3.03 0.58 -1.41 0.00 -1.26 -2.01 105.19 102.60 1n5k n GLY 57 Ca -0.08 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1n5k n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5k n ASP 58 N 4.18 1.65 -0.02 1.61 5.68 -1.26 -4.51 116.55 123.88 1n5k n ASP 58 Ca 0.00 -2.06 -0.10 0.00 -0.50 0.00 0.00 54.79 52.14 1n5k n ASP 58 Cb 0.00 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 39.70 1n5k n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1n5k h LEU 59 N 1.55 -0.91 -0.89 -2.12 6.46 -1.69 -2.08 115.31 115.62 1n5k h LEU 59 Ca 0.00 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1n5k h LEU 59 Cb 0.47 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1n5k h LEU 59 CO 0.03 -0.33 0.00 0.00 -0.62 0.00 0.00 178.44 177.52 1n5k n ALA 60 N -2.83 1.38 0.31 1.25 0.00 -1.26 -2.44 120.51 116.92 1n5k n ALA 60 Ca -0.02 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1n5k n ALA 60 Cb 0.31 -1.33 0.50 0.00 0.00 0.00 0.00 19.45 18.94 1n5k n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n5k h SER 61 N 0.00 0.00 -3.74 0.00 4.64 -1.69 -3.42 113.55 109.34 1n5k h SER 61 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1n5k h SER 61 Cb 0.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.13 1n5k h SER 61 CO 0.00 0.00 -0.29 -0.55 -0.87 0.00 0.00 176.83 175.12 1n5k s SER 62 N -5.50 6.20 0.09 4.97 0.15 -1.02 -4.97 113.70 113.62 1n5k s SER 62 Ca 0.04 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.62 1n5k s SER 62 Cb 0.08 -2.19 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 1n5k s SER 62 CO 0.56 -0.20 1.63 0.58 1.20 0.00 0.00 173.24 177.01 1n5k h VAL 63 N 5.42 1.16 -0.07 4.45 2.07 -1.88 -2.55 116.25 124.86 1n5k h VAL 63 Ca -0.32 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1n5k h VAL 63 Cb 1.16 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1n5k h VAL 63 CO 0.64 0.16 -0.38 1.88 0.02 0.00 0.00 177.57 179.89 1n5k h TYR 64 N 0.18 0.15 -0.32 1.57 -1.99 -1.96 -1.84 116.97 112.76 1n5k h TYR 64 Ca 0.07 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1n5k h TYR 64 Cb 0.18 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1n5k h TYR 64 CO -0.01 0.50 0.10 0.00 -0.00 0.00 0.00 178.16 178.75 1n5k h ALA 65 N 1.50 0.42 -0.57 3.88 0.00 -1.85 0.12 119.26 122.76 1n5k h ALA 65 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1n5k h ALA 65 Cb 0.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n5k h ALA 65 CO 0.05 0.06 0.05 0.52 0.00 0.00 0.00 179.25 179.94 1n5k h MET 66 N 0.36 0.96 -0.57 0.00 2.86 -1.24 -1.87 114.93 115.43 1n5k h MET 66 Ca 0.10 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1n5k h MET 66 Cb 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1n5k h MET 66 CO -0.00 0.94 0.31 0.00 1.06 0.00 0.00 176.91 179.21 1n5k h ALA 67 N 0.99 0.73 -0.70 6.32 0.00 -1.16 -2.36 119.26 123.08 1n5k h ALA 67 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1n5k h ALA 67 Cb 0.47 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1n5k h ALA 67 CO 0.02 0.25 0.43 1.15 0.00 0.00 0.00 179.25 181.10 1n5k h THR 68 N 0.76 1.06 -0.40 0.00 2.02 -0.47 0.12 112.91 116.01 1n5k h THR 68 Ca 0.20 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1n5k h THR 68 Cb 0.06 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1n5k h THR 68 CO -0.03 0.15 0.22 -0.07 0.37 0.00 0.00 175.52 176.16 1n5k h LEU 69 N 0.82 0.50 -1.07 2.58 3.38 -0.99 0.28 115.31 120.81 1n5k h LEU 69 Ca 0.29 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1n5k h LEU 69 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1n5k h LEU 69 CO -0.13 0.44 -0.05 -0.26 0.09 0.00 0.00 178.44 178.53 1n5k h PHE 70 N 0.51 0.64 -0.37 1.13 0.05 -1.07 0.17 116.94 117.99 1n5k h PHE 70 Ca 0.14 -0.09 -0.13 0.00 3.82 0.00 0.00 57.97 61.71 1n5k h PHE 70 Cb 0.06 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1n5k h PHE 70 CO -0.02 0.65 -0.29 0.00 -0.18 0.00 0.00 178.31 178.46 1n5k h ALA 71 N 1.38 0.78 -0.14 2.45 0.00 -0.15 -2.21 119.26 121.37 1n5k h ALA 71 Ca 0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1n5k h ALA 71 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n5k h ALA 71 CO 0.02 0.65 -0.51 -0.07 0.00 0.00 0.00 179.25 179.34 1n5k h LEU 72 N 0.68 0.42 -0.30 0.00 3.38 -0.01 -1.21 115.31 118.27 1n5k h LEU 72 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1n5k h LEU 72 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1n5k h LEU 72 CO 0.07 0.86 0.18 -0.78 0.09 0.00 0.00 178.44 178.86 1n5k h ASP 73 N 0.30 0.36 -0.53 -0.43 3.58 -0.76 -2.01 116.42 116.92 1n5k h ASP 73 Ca 0.01 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1n5k h ASP 73 Cb 1.00 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1n5k h ASP 73 CO 0.09 0.30 -0.02 0.03 -2.88 0.00 0.00 179.24 176.76 1n5k h ARG 74 N 0.38 0.99 -0.71 0.28 3.08 -1.23 -2.92 114.38 114.25 1n5k h ARG 74 Ca 0.11 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 59.91 1n5k h ARG 74 Cb 0.01 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1n5k h ARG 74 CO -0.02 0.99 0.40 0.00 -1.07 0.00 0.00 179.97 180.26 1n5k h ALA 75 N 1.06 0.97 0.00 0.04 0.00 -0.91 0.47 119.26 120.89 1n5k h ALA 75 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1n5k h ALA 75 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n5k h ALA 75 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1n5k n GLY 76 N -1.30 -0.64 0.04 0.00 0.00 -0.78 -2.13 105.19 100.38 1n5k n GLY 76 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1n5k n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5k n ALA 77 N -0.60 2.35 -0.30 4.61 0.00 0.16 -4.75 120.51 121.99 1n5k n ALA 77 Ca 0.03 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.30 1n5k n ALA 77 Cb 0.01 -0.06 0.28 0.00 0.00 0.00 0.00 19.45 19.69 1n5k n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n5k h VAL 78 N 0.17 0.53 -0.03 0.00 2.07 -0.91 0.54 116.25 118.62 1n5k h VAL 78 Ca 0.00 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1n5k h VAL 78 Cb 0.05 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1n5k h VAL 78 CO 0.00 0.08 -0.80 0.45 0.02 0.00 0.00 177.57 177.32 1n5k h HIS 79 N 0.43 0.40 -0.24 1.57 3.86 -1.85 -2.18 115.15 117.14 1n5k h HIS 79 Ca 0.53 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.41 1n5k h HIS 79 Cb 0.94 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1n5k h HIS 79 CO -0.14 0.96 -0.41 1.15 0.86 0.00 0.00 177.93 180.36 1n5k h THR 80 N 0.18 1.30 0.22 2.45 2.02 -1.47 -1.60 112.91 116.01 1n5k h THR 80 Ca -0.04 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1n5k h THR 80 Cb 1.39 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1n5k h THR 80 CO 0.13 0.49 -0.11 0.40 0.37 0.00 0.00 175.52 176.81 1n5k h ILE 81 N 0.46 0.78 -0.84 3.11 2.04 -0.95 -2.18 117.51 119.93 1n5k h ILE 81 Ca 0.04 -0.92 0.19 0.00 1.00 0.00 0.00 64.86 65.17 1n5k h ILE 81 Cb 0.90 1.24 -0.11 0.00 -0.74 0.00 0.00 36.82 38.11 1n5k h ILE 81 CO 0.08 0.18 0.35 1.56 0.00 0.00 0.00 178.15 180.31 1n5k h GLN 82 N -0.82 0.41 0.06 2.37 4.20 -1.42 0.82 115.11 120.73 1n5k h GLN 82 Ca -0.03 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1n5k h GLN 82 Cb 0.51 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1n5k h GLN 82 CO 0.05 0.27 -0.15 0.78 -0.67 0.00 0.00 178.83 179.10 1n5k h GLY 83 N 0.42 -0.25 0.65 3.46 0.00 -1.24 -2.46 103.07 103.66 1n5k h GLY 83 Ca 0.50 0.18 0.06 0.00 0.00 0.00 0.00 47.33 48.07 1n5k h GLY 83 CO -0.48 -0.15 0.33 1.41 0.00 0.00 0.00 176.54 177.65 1n5k h LEU 84 N -0.29 0.48 0.00 3.11 3.38 -0.30 0.25 115.31 121.93 1n5k h LEU 84 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n5k h LEU 84 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n5k h LEU 84 CO -0.11 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1n5k n ARG 86 N -1.39 0.68 -0.08 0.00 0.00 0.79 -4.53 116.66 112.14 1n5k n ARG 86 Ca 0.01 0.09 0.12 0.00 -0.00 0.00 0.00 57.85 58.07 1n5k n ARG 86 Cb 0.03 -1.51 0.28 0.00 -0.00 0.00 0.00 32.46 31.26 1n5k n ARG 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n5k n GLY 87 N 2.11 0.87 3.15 2.89 0.00 -0.72 -4.93 105.19 108.56 1n5k n GLY 87 Ca -0.40 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1n5k n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n5k s TYR 88 N -1.78 -0.11 0.19 1.61 1.51 -0.64 -4.98 117.35 113.14 1n5k s TYR 88 Ca 0.34 0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 56.52 1n5k s TYR 88 Cb 0.20 0.03 0.08 0.00 -0.11 0.00 0.00 41.96 42.17 1n5k s TYR 88 CO 0.30 -0.26 1.66 -0.44 -1.11 0.00 0.00 175.55 175.70 1n5k h ASP 89 N 4.63 1.05 -3.76 2.29 3.32 -1.57 -3.43 116.42 118.94 1n5k h ASP 89 Ca -0.29 -0.28 -0.47 0.00 0.02 0.00 0.00 57.03 56.01 1n5k h ASP 89 Cb 1.19 -0.28 -0.31 0.00 0.22 0.00 0.00 39.33 40.14 1n5k h ASP 89 CO 0.39 1.07 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.49 1n5k s VAL 90 N -5.13 0.95 -0.21 -1.35 1.01 0.47 -3.41 120.40 112.74 1n5k s VAL 90 Ca -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1n5k s VAL 90 Cb 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1n5k s VAL 90 CO 0.85 0.29 -0.10 -0.69 0.00 0.00 0.00 175.10 175.45 1n5k s VAL 91 N 0.26 2.85 -0.21 2.92 1.01 0.11 -1.67 120.40 125.67 1n5k s VAL 91 Ca -0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1n5k s VAL 91 Cb -0.10 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1n5k s VAL 91 CO 0.01 0.46 0.01 -0.63 0.00 0.00 0.00 175.10 174.95 1n5k s ILE 92 N 1.40 3.97 -0.17 2.22 1.01 -0.08 0.06 121.20 129.61 1n5k s ILE 92 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1n5k s ILE 92 Cb -0.14 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1n5k s ILE 92 CO -0.07 0.41 -0.03 -0.76 0.00 0.00 0.00 174.94 174.49 1n5k s LEU 93 N 1.17 3.19 -0.79 2.97 1.43 0.11 -1.70 118.68 125.06 1n5k s LEU 93 Ca 0.03 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1n5k s LEU 93 Cb -0.14 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.38 1n5k s LEU 93 CO 0.01 0.12 1.10 -0.62 0.23 0.00 0.00 176.35 177.20 1n5k s ASP 94 N 0.65 6.35 0.00 2.29 3.68 -0.65 0.02 116.67 129.01 1n5k s ASP 94 Ca -0.02 -1.32 0.00 0.00 2.13 0.00 0.00 52.55 53.34 1n5k s ASP 94 Cb -0.14 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1n5k s ASP 94 CO 0.02 -1.37 0.00 0.54 0.13 0.00 0.00 175.17 174.49 1n5k n ARG 95 N 7.64 0.00 0.00 4.34 1.74 0.11 -1.68 116.66 128.81 1n5k n ARG 95 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1n5k n ARG 95 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1n5k n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n5k n TYR 96 N -0.45 0.00 -0.28 -1.55 9.36 -1.26 -4.27 117.16 118.72 1n5k n TYR 96 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1n5k n TYR 96 Cb 0.00 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 38.96 1n5k n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n5k h VAL 97 N 0.00 1.09 -0.10 2.97 2.07 -2.00 -2.13 116.25 118.15 1n5k h VAL 97 Ca 0.00 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1n5k h VAL 97 Cb 0.00 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1n5k h VAL 97 CO 0.00 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.84 1n5k h ALA 98 N 1.52 2.01 -0.88 1.67 0.00 -1.96 -0.90 119.26 120.72 1n5k h ALA 98 Ca 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1n5k h ALA 98 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1n5k h ALA 98 CO -0.12 -0.03 0.58 0.77 0.00 0.00 0.00 179.25 180.45 1n5k h SER 99 N 0.06 1.02 -0.44 0.00 0.02 -1.78 0.45 113.55 112.88 1n5k h SER 99 Ca 0.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1n5k h SER 99 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1n5k h SER 99 CO -0.00 0.74 0.01 -1.13 -1.14 0.00 0.00 176.83 175.31 1n5k h ASN 100 N 1.20 0.76 -0.25 3.07 -1.24 -1.26 -1.71 115.58 116.16 1n5k h ASN 100 Ca 0.32 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 1n5k h ASN 100 Cb -0.13 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 1n5k h ASN 100 CO -0.07 0.87 0.07 0.00 -1.29 0.00 0.00 177.43 177.01 1n5k h ALA 101 N 0.91 0.32 0.38 1.57 0.00 -1.03 -1.75 119.26 119.66 1n5k h ALA 101 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n5k h ALA 101 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1n5k h ALA 101 CO 0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 1n5k h ALA 102 N 0.90 -0.51 -0.47 0.00 0.00 -0.85 -2.00 119.26 116.33 1n5k h ALA 102 Ca 0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1n5k h ALA 102 Cb 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1n5k h ALA 102 CO -0.00 -0.77 -0.17 1.88 0.00 0.00 0.00 179.25 180.19 1n5k h TYR 103 N -0.55 1.03 -0.03 0.00 -1.99 -1.37 -1.58 116.97 112.48 1n5k h TYR 103 Ca -0.05 -0.22 -0.00 0.00 2.00 0.00 0.00 58.73 60.45 1n5k h TYR 103 Cb 0.41 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1n5k h TYR 103 CO -0.04 1.00 0.01 0.77 -0.00 0.00 0.00 178.16 179.90 1n5k h SER 104 N 0.80 0.05 -0.51 3.88 0.02 -1.32 0.11 113.55 116.58 1n5k h SER 104 Ca 0.12 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1n5k h SER 104 Cb 0.71 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1n5k h SER 104 CO 0.05 0.21 0.33 0.00 -1.14 0.00 0.00 176.83 176.29 1n5k h ALA 105 N 0.84 0.65 -0.61 3.77 0.00 -1.38 -2.36 119.26 120.17 1n5k h ALA 105 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n5k h ALA 105 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1n5k h ALA 105 CO -0.00 0.08 0.40 0.00 0.00 0.00 0.00 179.25 179.73 1n5k h ALA 106 N 1.19 0.77 0.00 0.00 0.00 -1.08 0.18 119.26 120.33 1n5k h ALA 106 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1n5k h ALA 106 Cb -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n5k h ALA 106 CO -0.05 0.20 -0.14 0.00 0.00 0.00 0.00 179.25 179.27 1n5k h ARG 107 N 0.83 0.00 -0.15 0.00 3.08 -0.44 -2.26 114.38 115.44 1n5k h ARG 107 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1n5k h ARG 107 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1n5k h ARG 107 CO -0.05 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.27 1n5k n LEU 108 N -3.97 2.61 -3.07 3.04 4.77 -0.74 -4.94 117.00 114.69 1n5k n LEU 108 Ca -0.02 -0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 54.76 1n5k n LEU 108 Cb 0.23 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1n5k n LEU 108 CO 0.33 0.49 0.13 1.41 -1.33 0.00 0.00 177.39 178.42 1n5k n HIS 109 N 0.98 -2.27 -4.03 -1.77 8.25 -0.51 -5.01 115.22 110.86 1n5k n HIS 109 Ca 0.17 0.73 -0.23 0.00 -0.26 0.00 0.00 57.72 58.13 1n5k n HIS 109 Cb 0.51 -4.47 -0.06 0.00 1.12 0.00 0.00 29.99 27.09 1n5k n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n5k s GLU 110 N -5.94 2.39 0.00 -0.41 2.02 0.51 -5.02 118.70 112.25 1n5k s GLU 110 Ca 0.42 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1n5k s GLU 110 Cb -0.19 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1n5k s GLU 110 CO 0.53 0.05 0.00 0.27 0.02 0.00 0.00 175.26 176.12 1n5k n ASN 111 N -1.22 1.48 0.20 -0.19 0.23 -1.26 -4.15 115.26 110.35 1n5k n ASN 111 Ca -0.02 -0.99 0.13 0.00 -0.53 0.00 0.00 54.58 53.17 1n5k n ASN 111 Cb 0.62 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.04 1n5k n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n5k h ALA 112 N 0.87 1.02 -0.18 -2.53 0.00 -1.95 -0.75 119.26 115.72 1n5k h ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5k h ALA 112 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n5k h ALA 112 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1n5k n ALA 113 N -1.83 2.49 -1.92 0.00 0.00 -1.26 -4.76 120.51 113.23 1n5k n ALA 113 Ca -0.02 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.46 1n5k n ALA 113 Cb 0.06 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 18.63 1n5k n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1n5k s GLY 114 N -1.70 1.66 0.20 0.00 0.00 -0.29 -4.99 107.32 102.20 1n5k s GLY 114 Ca 0.34 -0.88 -0.09 0.00 0.00 0.00 0.00 44.72 44.10 1n5k s GLY 114 CO 0.30 -0.36 1.77 0.50 0.00 0.00 0.00 173.10 175.30 1n5k h LYS 115 N -0.99 1.11 -0.04 2.90 1.79 -1.93 -3.14 116.57 116.26 1n5k h LYS 115 Ca -0.45 -0.20 0.03 0.00 -2.18 0.00 0.00 60.65 57.85 1n5k h LYS 115 Cb 1.31 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 1n5k h LYS 115 CO 0.58 0.90 -0.13 0.00 -1.08 0.00 0.00 179.45 179.72 1n5k h ALA 116 N 1.15 -0.12 -0.99 3.86 0.00 -1.94 0.25 119.26 121.46 1n5k h ALA 116 Ca 0.25 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1n5k h ALA 116 Cb 0.20 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1n5k h ALA 116 CO -0.02 -0.61 0.66 0.00 0.00 0.00 0.00 179.25 179.28 1n5k h ALA 117 N 0.79 1.30 -0.22 0.00 0.00 -1.82 0.47 119.26 119.78 1n5k h ALA 117 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1n5k h ALA 117 Cb 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n5k h ALA 117 CO -0.16 0.65 -0.38 0.00 0.00 0.00 0.00 179.25 179.37 1n5k h ALA 118 N 1.38 0.95 -0.11 0.00 0.00 -1.41 -2.48 119.26 117.59 1n5k h ALA 118 Ca 0.37 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n5k h ALA 118 Cb -0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1n5k h ALA 118 CO -0.08 0.62 0.03 2.35 0.00 0.00 0.00 179.25 182.16 1n5k h TRP 119 N 0.41 0.18 -0.59 0.00 7.01 0.51 -2.25 115.95 121.22 1n5k h TRP 119 Ca 0.04 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.08 1n5k h TRP 119 Cb 0.84 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 1n5k h TRP 119 CO 0.03 0.34 0.39 0.28 -2.79 0.00 0.00 178.44 176.69 1n5k h VAL 120 N -0.04 1.00 0.72 2.65 2.07 -0.84 -1.67 116.25 120.14 1n5k h VAL 120 Ca 0.03 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1n5k h VAL 120 Cb 0.25 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1n5k h VAL 120 CO 0.00 0.10 -0.35 -0.61 0.02 0.00 0.00 177.57 176.74 1n5k h GLN 121 N 0.57 -0.93 0.20 1.57 5.75 -1.10 -2.01 115.11 119.16 1n5k h GLN 121 Ca 0.25 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1n5k h GLN 121 Cb 0.27 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1n5k h GLN 121 CO -0.07 -0.60 -0.25 0.00 -2.65 0.00 0.00 178.83 175.26 1n5k h ARG 122 N -1.04 -0.48 0.39 1.69 3.08 -1.02 -2.01 114.38 114.99 1n5k h ARG 122 Ca -0.10 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1n5k h ARG 122 Cb 0.76 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1n5k h ARG 122 CO 0.16 -0.32 -0.19 0.82 -1.07 0.00 0.00 179.97 179.37 1n5k h ILE 123 N -0.50 0.62 -0.02 2.04 1.08 -1.38 0.29 117.51 119.64 1n5k h ILE 123 Ca 0.01 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1n5k h ILE 123 Cb 0.48 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1n5k h ILE 123 CO -0.08 0.01 -0.07 -0.33 -0.69 0.00 0.00 178.15 176.98 1n5k h GLU 124 N -0.55 0.08 0.04 2.37 5.08 -1.43 0.15 114.58 120.32 1n5k h GLU 124 Ca -0.05 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 1n5k h GLU 124 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1n5k h GLU 124 CO 0.09 0.71 -1.01 0.74 -1.00 0.00 0.00 179.01 178.53 1n5k h PHE 125 N -0.53 0.17 0.06 4.33 0.05 -1.49 -1.29 116.94 118.24 1n5k h PHE 125 Ca -0.00 -0.13 -0.24 0.00 3.82 0.00 0.00 57.97 61.42 1n5k h PHE 125 Cb 0.72 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.65 1n5k h PHE 125 CO 0.15 1.40 -1.09 0.00 -0.18 0.00 0.00 178.31 178.58 1n5k h ALA 126 N -0.20 0.26 0.00 2.45 0.00 -1.04 -3.21 119.26 117.52 1n5k h ALA 126 Ca -0.25 -0.87 -0.46 0.00 0.00 0.00 0.00 54.91 53.34 1n5k h ALA 126 Cb 1.41 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1n5k h ALA 126 CO -0.05 1.07 -2.53 -2.13 0.00 0.00 0.00 179.25 175.61 1n5k n ARG 127 N -3.48 0.58 0.00 0.00 0.63 0.89 -4.54 116.66 110.74 1n5k n ARG 127 Ca -0.04 0.25 0.14 0.00 -0.92 0.00 0.00 57.85 57.28 1n5k n ARG 127 Cb 0.96 -1.48 0.67 0.00 0.45 0.00 0.00 32.46 33.06 1n5k n ARG 127 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1n5k n LEU 128 N -4.18 0.52 -3.00 6.15 4.77 0.50 -4.94 117.00 116.82 1n5k n LEU 128 Ca -0.54 -0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.16 1n5k n LEU 128 Cb 0.89 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1n5k n LEU 128 CO 0.04 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 176.75 1n5k n GLY 129 N 1.21 -0.51 3.74 -0.72 0.00 -1.12 -4.94 105.19 102.86 1n5k n GLY 129 Ca 0.17 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1n5k n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5k s LEU 130 N -6.48 4.40 0.12 0.99 1.43 -0.50 -4.91 118.68 113.73 1n5k s LEU 130 Ca 0.27 2.55 -0.31 0.00 -1.03 0.00 0.00 54.13 55.61 1n5k s LEU 130 Cb -0.13 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1n5k s LEU 130 CO 0.34 -0.61 1.81 -2.16 0.23 0.00 0.00 176.35 175.96 1n5k s PRO 131 N -0.36 4.14 0.17 1.29 0.04 -1.26 -4.68 135.00 134.33 1n5k s PRO 131 Ca 0.57 2.57 -0.32 0.00 0.04 0.00 0.00 61.00 63.87 1n5k s PRO 131 Cb -0.39 -3.58 -0.10 0.00 0.04 0.00 0.00 34.50 30.46 1n5k s PRO 131 CO 0.42 -0.83 1.59 0.15 0.04 0.00 0.00 177.00 178.37 1n5k s LYS 132 N 2.69 4.20 0.41 4.56 -0.14 -1.26 -4.96 119.74 125.24 1n5k s LYS 132 Ca 0.80 2.39 -0.24 0.00 -1.36 0.00 0.00 55.97 57.56 1n5k s LYS 132 Cb -0.45 -3.15 -0.08 0.00 -1.68 0.00 0.00 37.83 32.46 1n5k s LYS 132 CO 0.36 -0.63 1.12 -1.25 -0.76 0.00 0.00 175.35 174.19 1n5k s PRO 133 N 1.17 4.03 0.06 -1.68 0.04 -1.26 -4.92 135.00 132.43 1n5k s PRO 133 Ca 0.71 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 1n5k s PRO 133 Cb -0.44 -2.58 -0.14 0.00 0.04 0.00 0.00 34.50 31.39 1n5k s PRO 133 CO 0.31 -0.30 1.33 -0.44 0.04 0.00 0.00 177.00 177.95 1n5k h ASP 134 N 2.47 0.54 -4.00 6.66 3.45 -0.79 -3.44 116.42 121.31 1n5k h ASP 134 Ca -0.49 -0.52 -0.35 0.00 0.43 0.00 0.00 57.03 56.10 1n5k h ASP 134 Cb 1.23 -0.15 -0.28 0.00 -0.56 0.00 0.00 39.33 39.56 1n5k h ASP 134 CO 0.62 0.96 -0.76 0.26 -1.57 0.00 0.00 179.24 178.74 1n5k s TRP 135 N -4.15 0.63 -0.20 4.55 0.52 -0.94 -4.32 118.94 115.01 1n5k s TRP 135 Ca -0.13 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1n5k s TRP 135 Cb 0.06 -0.40 0.03 0.00 -1.15 0.00 0.00 33.47 32.01 1n5k s TRP 135 CO 0.79 -0.01 -0.17 -0.65 0.02 0.00 0.00 176.95 176.93 1n5k s GLN 136 N -0.23 2.72 -0.36 4.98 -0.21 -0.79 -1.11 119.66 124.66 1n5k s GLN 136 Ca 0.02 -0.98 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 1n5k s GLN 136 Cb -0.03 -2.65 0.03 0.00 1.00 0.00 0.00 33.01 31.35 1n5k s GLN 136 CO -0.00 -0.32 0.18 0.08 -2.12 0.00 0.00 175.29 173.11 1n5k s VAL 137 N 1.24 4.43 -0.30 1.09 1.01 0.48 -0.97 120.40 127.37 1n5k s VAL 137 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1n5k s VAL 137 Cb -0.15 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1n5k s VAL 137 CO -0.10 -0.19 0.72 -0.22 0.00 0.00 0.00 175.10 175.31 1n5k s LEU 138 N 1.53 4.10 -0.77 3.92 2.96 0.21 -0.38 118.68 130.25 1n5k s LEU 138 Ca 0.02 0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 54.33 1n5k s LEU 138 Cb -0.19 -2.98 0.10 0.00 0.50 0.00 0.00 46.19 43.63 1n5k s LEU 138 CO 0.06 -0.54 1.01 -0.22 -1.32 0.00 0.00 176.35 175.33 1n5k s LEU 139 N 2.79 4.81 -0.03 -0.68 2.96 -0.42 -1.06 118.68 127.06 1n5k s LEU 139 Ca 0.30 -1.52 -0.29 0.00 -0.22 0.00 0.00 54.13 52.39 1n5k s LEU 139 Cb -0.15 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1n5k s LEU 139 CO 0.12 -1.23 0.96 0.00 -1.32 0.00 0.00 176.35 174.87 1n5k s ALA 140 N 3.27 3.22 0.12 5.97 0.00 -0.38 -4.64 121.76 129.32 1n5k s ALA 140 Ca 0.26 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1n5k s ALA 140 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1n5k s ALA 140 CO 0.01 -0.29 0.06 0.14 0.00 0.00 0.00 175.76 175.67 1n5k s VAL 141 N 1.19 0.12 0.19 0.00 -7.23 -1.26 -4.37 120.40 109.04 1n5k s VAL 141 Ca 0.50 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1n5k s VAL 141 Cb -0.20 -1.95 -0.11 0.00 0.56 0.00 0.00 36.38 34.68 1n5k s VAL 141 CO 0.25 -0.53 1.59 -0.55 -0.31 0.00 0.00 175.10 175.55 1n5k s SER 142 N -3.02 6.53 0.28 4.85 0.15 -1.26 -4.90 113.70 116.33 1n5k s SER 142 Ca 0.21 2.70 -0.02 0.00 0.70 0.00 0.00 55.95 59.55 1n5k s SER 142 Cb 0.07 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.18 1n5k s SER 142 CO -0.00 -0.85 1.85 0.00 1.20 0.00 0.00 173.24 175.44 1n5k h ALA 143 N 6.46 1.25 -0.23 5.45 0.00 -1.99 -0.43 119.26 129.78 1n5k h ALA 143 Ca -0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1n5k h ALA 143 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1n5k h ALA 143 CO 0.90 0.54 0.04 0.93 0.00 0.00 0.00 179.25 181.67 1n5k h GLU 144 N 0.88 0.38 -0.53 0.00 3.07 -1.99 -1.79 114.58 114.59 1n5k h GLU 144 Ca 0.21 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1n5k h GLU 144 Cb 0.20 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1n5k h GLU 144 CO -0.02 0.51 0.02 1.25 -1.40 0.00 0.00 179.01 179.38 1n5k h LEU 145 N 0.19 0.91 -0.59 1.33 7.12 -1.89 -1.79 115.31 120.58 1n5k h LEU 145 Ca 0.07 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.75 1n5k h LEU 145 Cb 0.31 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1n5k h LEU 145 CO 0.00 0.98 0.24 0.00 -0.13 0.00 0.00 178.44 179.53 1n5k h ALA 146 N 0.96 0.77 -0.48 1.25 0.00 -1.05 -1.61 119.26 119.10 1n5k h ALA 146 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1n5k h ALA 146 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1n5k h ALA 146 CO 0.02 0.39 0.04 0.78 0.00 0.00 0.00 179.25 180.48 1n5k h GLY 147 N 0.82 0.83 1.01 0.00 0.00 -1.18 -2.40 103.07 102.16 1n5k h GLY 147 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1n5k h GLY 147 CO -0.02 0.49 0.01 -2.09 0.00 0.00 0.00 176.54 174.93 1n5k h GLU 148 N 0.73 0.89 0.28 4.80 4.57 -0.99 -2.04 114.58 122.82 1n5k h GLU 148 Ca 0.15 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1n5k h GLU 148 Cb 0.39 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1n5k h GLU 148 CO 0.01 0.91 -0.25 0.00 -1.18 0.00 0.00 179.01 178.50 1n5k h ARG 149 N 0.75 -0.53 -0.39 1.92 2.47 -1.01 0.15 114.38 117.74 1n5k h ARG 149 Ca 0.14 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 1n5k h ARG 149 Cb 0.50 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.88 1n5k h ARG 149 CO 0.02 -0.35 -0.02 0.77 0.56 0.00 0.00 179.97 180.95 1n5k h SER 150 N -0.55 -0.21 -0.36 7.04 0.02 -1.39 0.94 113.55 119.04 1n5k h SER 150 Ca -0.01 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1n5k h SER 150 Cb 0.50 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1n5k h SER 150 CO -0.04 -0.07 0.22 -0.09 -1.14 0.00 0.00 176.83 175.71 1n5k h ARG 151 N 0.08 0.43 0.17 3.45 2.43 -1.11 -3.10 114.38 116.73 1n5k h ARG 151 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1n5k h ARG 151 Cb 0.28 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1n5k h ARG 151 CO -0.34 0.28 -0.08 0.78 -1.51 0.00 0.00 179.97 179.10 1n5k h GLY 152 N 0.44 -0.24 -1.48 2.80 0.00 0.15 0.16 103.07 104.92 1n5k h GLY 152 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1n5k h GLY 152 CO -0.06 -0.09 0.00 -0.96 0.00 0.00 0.00 176.54 175.43 1n5k n ARG 153 N -5.00 0.35 0.00 4.80 0.00 0.32 -2.89 116.66 114.24 1n5k n ARG 153 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1n5k n ARG 153 Cb 0.25 -1.25 0.00 0.00 -0.00 0.00 0.00 32.46 31.46 1n5k n ARG 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n5k n ALA 154 N 0.56 1.30 0.19 2.89 0.00 -1.17 -4.84 120.51 119.44 1n5k n ALA 154 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1n5k n ALA 154 Cb 0.13 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.06 1n5k n ALA 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n5k n GLN 155 N -1.87 0.13 -0.25 0.00 6.02 0.04 -4.59 117.38 116.86 1n5k n GLN 155 Ca 0.00 0.57 0.07 0.00 -0.01 0.00 0.00 57.00 57.63 1n5k n GLN 155 Cb 0.00 -1.87 0.19 0.00 1.02 0.00 0.00 30.24 29.58 1n5k n GLN 155 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1n5k n ARG 156 N -2.13 2.91 -4.53 -1.09 5.12 -1.16 -5.08 116.66 110.70 1n5k n ARG 156 Ca -0.00 -2.24 -0.25 0.00 -1.93 0.00 0.00 57.85 53.42 1n5k n ARG 156 Cb 0.07 -1.39 -0.11 0.00 -1.16 0.00 0.00 32.46 29.87 1n5k n ARG 156 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n5k s ALA 161 N -1.23 2.78 0.12 7.54 0.00 -1.26 -5.09 121.76 124.63 1n5k s ALA 161 Ca 0.29 -2.12 -0.30 0.00 0.00 0.00 0.00 51.96 49.83 1n5k s ALA 161 Cb 0.17 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 1n5k s ALA 161 CO 0.18 -0.10 1.19 1.03 0.00 0.00 0.00 175.76 178.06 1n5k s ARG 162 N -3.73 4.47 0.94 0.00 0.52 -1.26 -5.04 118.95 114.86 1n5k s ARG 162 Ca 0.34 1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 57.22 1n5k s ARG 162 Cb 0.07 -3.29 0.21 0.00 0.52 0.00 0.00 34.95 32.45 1n5k s ARG 162 CO 0.16 -0.15 1.28 0.16 0.02 0.00 0.00 175.30 176.77 1n5k s ASP 163 N 0.55 3.13 0.50 0.23 1.47 -1.26 -4.81 116.67 116.48 1n5k s ASP 163 Ca 0.55 0.02 0.15 0.00 1.18 0.00 0.00 52.55 54.46 1n5k s ASP 163 Cb -0.31 -0.04 1.20 0.00 -0.34 0.00 0.00 42.92 43.43 1n5k s ASP 163 CO 0.33 -2.70 2.12 0.78 0.68 0.00 0.00 175.17 176.37 1n5k h ASN 164 N -1.51 0.02 0.12 2.11 2.35 -1.25 -2.09 115.58 115.33 1n5k h ASN 164 Ca -0.42 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.07 1n5k h ASN 164 Cb 1.22 -0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.62 1n5k h ASN 164 CO 0.33 0.05 -1.10 1.88 -1.65 0.00 0.00 177.43 176.94 1n5k h TYR 165 N 0.02 0.88 -0.53 1.19 -1.99 -1.93 -3.26 116.97 111.35 1n5k h TYR 165 Ca 0.01 -0.56 -0.05 0.00 2.00 0.00 0.00 58.73 60.12 1n5k h TYR 165 Cb 0.06 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1n5k h TYR 165 CO 0.00 1.41 0.13 0.93 -0.00 0.00 0.00 178.16 180.63 1n5k h GLU 166 N 0.10 0.81 -0.00 4.88 5.08 -1.86 -2.72 114.58 120.87 1n5k h GLU 166 Ca -0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1n5k h GLU 166 Cb 1.81 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1n5k h GLU 166 CO 0.21 0.73 -0.02 0.54 -1.00 0.00 0.00 179.01 179.47 1n5k n ARG 167 N -4.28 0.86 -3.34 2.33 1.74 -0.81 -4.54 116.66 108.62 1n5k n ARG 167 Ca 0.04 -0.12 -0.46 0.00 -0.77 0.00 0.00 57.85 56.53 1n5k n ARG 167 Cb 0.22 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1n5k n ARG 167 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n5k s ASP 168 N -2.23 6.92 0.29 0.55 -1.08 -1.03 -4.91 116.67 115.18 1n5k s ASP 168 Ca 0.39 -2.98 0.01 0.00 -0.52 0.00 0.00 52.55 49.45 1n5k s ASP 168 Cb 0.21 -2.20 0.55 0.00 -1.46 0.00 0.00 42.92 40.02 1n5k s ASP 168 CO 0.41 -0.48 1.85 0.00 0.52 0.00 0.00 175.17 177.47 1n5k h ALA 169 N 7.42 1.53 -0.29 3.66 0.00 -1.84 -1.77 119.26 127.96 1n5k h ALA 169 Ca 0.13 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1n5k h ALA 169 Cb 0.99 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1n5k h ALA 169 CO 0.83 0.26 -0.40 0.93 0.00 0.00 0.00 179.25 180.87 1n5k h GLU 170 N 1.01 0.70 -0.42 0.00 5.08 -1.96 -2.31 114.58 116.67 1n5k h GLU 170 Ca 0.47 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1n5k h GLU 170 Cb 0.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1n5k h GLU 170 CO -0.23 0.97 0.25 1.25 -1.00 0.00 0.00 179.01 180.25 1n5k h LEU 171 N 0.57 0.51 -1.02 1.33 5.85 -1.71 -1.26 115.31 119.58 1n5k h LEU 171 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1n5k h LEU 171 Cb 0.93 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1n5k h LEU 171 CO 0.08 0.42 0.54 1.56 -0.34 0.00 0.00 178.44 180.71 1n5k h GLN 172 N 0.55 1.21 -0.15 1.25 1.08 -1.21 0.93 115.11 118.78 1n5k h GLN 172 Ca 0.15 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1n5k h GLN 172 Cb 0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1n5k h GLN 172 CO -0.03 0.85 0.01 0.37 -0.95 0.00 0.00 178.83 179.08 1n5k h GLN 173 N 1.23 0.26 -0.70 1.46 5.75 -1.10 -1.36 115.11 120.65 1n5k h GLN 173 Ca 0.32 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1n5k h GLN 173 Cb -0.05 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1n5k h GLN 173 CO -0.06 0.47 0.29 0.00 -2.65 0.00 0.00 178.83 176.88 1n5k h ARG 174 N 0.01 1.02 -0.74 1.69 3.08 -0.93 -1.41 114.38 117.10 1n5k h ARG 174 Ca 0.04 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1n5k h ARG 174 Cb 0.35 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1n5k h ARG 174 CO 0.01 0.82 0.30 1.15 -1.07 0.00 0.00 179.97 181.17 1n5k h THR 175 N 1.00 1.25 -0.60 2.04 2.02 -0.67 0.62 112.91 118.57 1n5k h THR 175 Ca 0.24 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1n5k h THR 175 Cb 0.17 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1n5k h THR 175 CO -0.02 0.32 0.07 1.23 0.37 0.00 0.00 175.52 177.49 1n5k h GLY 176 N 1.12 1.06 1.02 2.16 0.00 -0.50 -1.48 103.07 106.45 1n5k h GLY 176 Ca 0.25 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1n5k h GLY 176 CO -0.02 0.65 -0.22 0.00 0.00 0.00 0.00 176.54 176.95 1n5k h ALA 177 N 1.15 0.54 -0.55 3.60 0.00 -0.68 -2.45 119.26 120.86 1n5k h ALA 177 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1n5k h ALA 177 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1n5k h ALA 177 CO 0.01 0.51 0.21 0.28 0.00 0.00 0.00 179.25 180.27 1n5k h VAL 178 N 0.62 1.22 -0.52 0.00 2.07 -0.73 -2.44 116.25 116.47 1n5k h VAL 178 Ca 0.08 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1n5k h VAL 178 Cb 0.78 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1n5k h VAL 178 CO 0.06 0.27 0.12 1.88 0.02 0.00 0.00 177.57 179.92 1n5k h TYR 179 N 0.75 0.19 -0.91 1.57 0.99 -1.16 0.21 116.97 118.62 1n5k h TYR 179 Ca 0.18 0.03 0.05 0.00 2.00 0.00 0.00 58.73 61.00 1n5k h TYR 179 Cb 0.21 -0.00 -0.06 0.00 1.00 0.00 0.00 36.73 37.88 1n5k h TYR 179 CO 0.01 0.00 0.58 0.00 -0.00 0.00 0.00 178.16 178.75 1n5k h ALA 180 N 1.40 1.24 -0.44 3.88 0.00 -1.07 0.52 119.26 124.79 1n5k h ALA 180 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1n5k h ALA 180 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1n5k h ALA 180 CO -0.33 0.38 0.06 0.93 0.00 0.00 0.00 179.25 180.29 1n5k h GLU 181 N 1.08 0.74 -0.32 0.00 5.08 -0.76 0.31 114.58 120.71 1n5k h GLU 181 Ca 0.38 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1n5k h GLU 181 Cb 0.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1n5k h GLU 181 CO -0.15 0.77 0.21 -0.07 -1.00 0.00 0.00 179.01 178.76 1n5k h LEU 182 N 0.60 0.37 -0.44 1.33 3.38 -0.14 -1.02 115.31 119.39 1n5k h LEU 182 Ca 0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1n5k h LEU 182 Cb 0.40 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1n5k h LEU 182 CO 0.01 0.29 0.10 0.00 0.09 0.00 0.00 178.44 178.93 1n5k h ALA 183 N 1.10 0.58 -0.36 1.53 0.00 -0.80 -1.04 119.26 120.27 1n5k h ALA 183 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1n5k h ALA 183 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n5k h ALA 183 CO -0.02 0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.68 1n5k h ALA 184 N 0.96 1.64 -0.16 0.00 0.00 -0.64 -2.57 119.26 118.49 1n5k h ALA 184 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n5k h ALA 184 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n5k h ALA 184 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1n5k n GLN 185 N -4.43 2.24 -3.19 0.00 10.64 -0.41 -4.97 117.38 117.26 1n5k n GLN 185 Ca 0.02 -1.84 -0.15 0.00 -1.83 0.00 0.00 57.00 53.20 1n5k n GLN 185 Cb 0.11 -1.47 0.06 0.00 -0.86 0.00 0.00 30.24 28.08 1n5k n GLN 185 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1n5k n GLY 186 N 1.36 -0.12 3.67 2.61 0.00 -0.75 -4.93 105.19 107.02 1n5k n GLY 186 Ca 0.17 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1n5k n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n5k s TRP 187 N -3.24 2.05 0.00 1.61 -0.00 -0.47 -2.00 118.94 116.89 1n5k s TRP 187 Ca 0.27 0.21 0.00 0.00 -0.00 0.00 0.00 56.10 56.58 1n5k s TRP 187 Cb -0.12 -3.93 0.00 0.00 -0.00 0.00 0.00 33.47 29.42 1n5k s TRP 187 CO 0.52 -3.87 0.00 0.41 -0.00 0.00 0.00 176.95 174.01 1n5k n GLY 188 N 4.11 0.85 0.00 5.86 0.00 -1.26 -4.82 105.19 109.92 1n5k n GLY 188 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1n5k n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5k n GLY 189 N -2.01 0.91 3.74 -0.02 0.00 -0.85 -4.57 105.19 102.40 1n5k n GLY 189 Ca 0.00 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1n5k n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k s ARG 190 N -1.72 4.78 0.34 1.61 0.52 -1.26 -4.35 118.95 118.87 1n5k s ARG 190 Ca 0.00 1.45 0.09 0.00 -0.52 0.00 0.00 55.73 56.75 1n5k s ARG 190 Cb 0.00 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 1n5k s ARG 190 CO 0.00 0.41 -0.04 -1.58 0.02 0.00 0.00 175.30 174.12 1n5k s TRP 191 N -0.74 2.49 -0.08 -0.53 0.52 -1.26 -1.89 118.94 117.46 1n5k s TRP 191 Ca 0.43 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 56.07 1n5k s TRP 191 Cb -0.25 -1.42 0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1n5k s TRP 191 CO 0.31 0.53 0.16 -1.17 0.02 0.00 0.00 176.95 176.80 1n5k s LEU 192 N -3.67 0.37 -0.23 2.99 0.20 -0.15 -4.90 118.68 113.28 1n5k s LEU 192 Ca 0.34 0.33 -0.08 0.00 0.69 0.00 0.00 54.13 55.40 1n5k s LEU 192 Cb 0.00 0.34 -0.04 0.00 -0.43 0.00 0.00 46.19 46.07 1n5k s LEU 192 CO 0.18 -0.19 0.09 -0.69 -0.29 0.00 0.00 176.35 175.46 1n5k s VAL 193 N 1.65 4.69 0.24 1.68 1.01 -1.26 -0.62 120.40 127.79 1n5k s VAL 193 Ca -0.04 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1n5k s VAL 193 Cb -0.12 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1n5k s VAL 193 CO -0.06 0.36 -0.06 0.68 0.00 0.00 0.00 175.10 176.02 1n5k s VAL 194 N 1.25 1.45 0.59 2.92 -7.23 -0.22 -4.97 120.40 114.19 1n5k s VAL 194 Ca 0.05 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.20 1n5k s VAL 194 Cb -0.14 -2.31 0.08 0.00 0.56 0.00 0.00 36.38 34.57 1n5k s VAL 194 CO 0.04 -0.39 0.68 0.61 -0.31 0.00 0.00 175.10 175.73 1n5k n GLY 195 N -0.47 2.24 0.16 2.32 0.00 -1.26 -1.25 105.19 106.92 1n5k n GLY 195 Ca -0.06 -2.26 0.01 0.00 0.00 0.00 0.00 46.02 43.71 1n5k n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5k h ALA 196 N 0.31 1.20 -0.41 4.61 0.00 -1.94 -3.00 119.26 120.03 1n5k h ALA 196 Ca -0.31 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1n5k h ALA 196 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n5k h ALA 196 CO 0.46 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 1n5k n ASP 197 N -3.97 2.81 -4.71 0.00 3.85 -1.26 -4.97 116.55 108.30 1n5k n ASP 197 Ca -0.02 -2.17 -0.42 0.00 -0.71 0.00 0.00 54.79 51.47 1n5k n ASP 197 Cb 0.50 -0.39 -0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1n5k n ASP 197 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1n5k n VAL 198 N 0.66 2.02 -2.59 2.12 3.14 -1.14 -4.92 118.33 117.63 1n5k n VAL 198 Ca 0.15 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.60 1n5k n VAL 198 Cb 0.51 -1.64 -0.02 0.00 -1.06 0.00 0.00 33.84 31.63 1n5k n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n5k s ASP 199 N -0.28 6.86 0.10 6.55 2.15 -1.26 -4.96 116.67 125.83 1n5k s ASP 199 Ca 0.55 1.06 -0.27 0.00 0.43 0.00 0.00 52.55 54.32 1n5k s ASP 199 Cb -0.55 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.43 1n5k s ASP 199 CO 0.62 -0.94 1.44 -0.65 -0.17 0.00 0.00 175.17 175.48 1n5k h PRO 200 N 8.39 -0.41 -0.79 4.34 0.11 -1.91 -1.48 132.00 140.26 1n5k h PRO 200 Ca -0.22 0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.08 1n5k h PRO 200 Cb 1.07 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 1n5k h PRO 200 CO 1.04 -0.27 0.30 0.78 -0.21 0.00 0.00 178.00 179.63 1n5k h GLY 201 N -0.42 1.21 1.08 -0.55 0.00 -1.92 -1.09 103.07 101.37 1n5k h GLY 201 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1n5k h GLY 201 CO -0.39 -0.16 -0.01 0.07 0.00 0.00 0.00 176.54 176.05 1n5k h ARG 202 N 0.40 1.05 -0.60 4.80 0.11 -1.90 -2.49 114.38 115.76 1n5k h ARG 202 Ca 0.45 -0.34 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 1n5k h ARG 202 Cb 0.74 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.70 1n5k h ARG 202 CO -0.46 1.04 0.33 1.25 0.10 0.00 0.00 179.97 182.23 1n5k h LEU 203 N 0.95 0.75 -0.11 0.08 5.85 -0.18 -1.52 115.31 121.13 1n5k h LEU 203 Ca 0.17 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1n5k h LEU 203 Cb 0.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1n5k h LEU 203 CO 0.03 0.63 0.07 0.00 -0.34 0.00 0.00 178.44 178.83 1n5k h ALA 204 N 1.15 0.14 -0.64 1.25 0.00 -1.14 -0.11 119.26 119.91 1n5k h ALA 204 Ca 0.21 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1n5k h ALA 204 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1n5k h ALA 204 CO -0.03 -0.36 0.42 0.00 0.00 0.00 0.00 179.25 179.28 1n5k h ALA 205 N 1.01 1.68 -0.01 0.00 0.00 -1.26 0.23 119.26 120.92 1n5k h ALA 205 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n5k h ALA 205 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1n5k h ALA 205 CO -0.01 0.24 -0.00 1.15 0.00 0.00 0.00 179.25 180.63 1n5k h THR 206 N 0.73 1.28 0.04 0.00 2.02 -0.66 -3.28 112.91 113.04 1n5k h THR 206 Ca 0.26 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1n5k h THR 206 Cb 0.12 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1n5k h THR 206 CO -0.07 0.22 -0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1n5k h LEU 207 N -0.33 -0.04 -1.44 2.58 3.38 -0.45 -3.51 115.31 115.50 1n5k h LEU 207 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1n5k h LEU 207 Cb 0.36 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n5k h LEU 207 CO 0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73