#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfm n GLU 2 N 0.00 0.00 -1.96 -3.48 2.13 -1.26 -4.99 120.64 111.08 1tfm n GLU 2 Ca 0.00 -1.49 -0.01 0.00 0.66 0.00 0.00 57.16 56.32 1tfm n GLU 2 Cb 0.00 -0.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.68 1tfm n GLU 2 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1tfm n ARG 3 N 0.28 -1.68 -3.31 5.31 0.00 -1.26 -3.99 116.66 112.00 1tfm n ARG 3 Ca -0.01 1.59 -0.38 0.00 -0.00 0.00 0.00 57.85 59.05 1tfm n ARG 3 Cb 0.94 -2.69 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 1tfm n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1tfm s LEU 4 N -0.43 4.29 -0.24 6.15 1.43 -1.26 -2.02 118.68 126.61 1tfm s LEU 4 Ca -0.07 0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1tfm s LEU 4 Cb 0.00 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1tfm s LEU 4 CO 0.32 0.02 0.16 -1.81 0.23 0.00 0.00 176.35 175.26 1tfm s ASP 5 N 0.52 6.08 -0.32 2.29 1.11 0.67 -5.00 116.67 122.03 1tfm s ASP 5 Ca 0.26 0.11 -0.13 0.00 0.18 0.00 0.00 52.55 52.97 1tfm s ASP 5 Cb -0.15 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 41.71 1tfm s ASP 5 CO 0.11 0.07 0.28 -0.76 1.18 0.00 0.00 175.17 176.05 1tfm s LEU 6 N 1.04 4.32 -0.12 1.23 2.01 -1.26 0.31 118.68 126.21 1tfm s LEU 6 Ca 0.07 -0.18 -0.00 0.00 0.01 0.00 0.00 54.13 54.03 1tfm s LEU 6 Cb -0.13 -2.23 0.02 0.00 0.01 0.00 0.00 46.19 43.86 1tfm s LEU 6 CO 0.04 -0.22 -0.10 -0.62 1.01 0.00 0.00 176.35 176.46 1tfm s ASP 7 N 1.73 2.35 -0.23 2.29 2.15 -0.48 -4.98 116.67 119.49 1tfm s ASP 7 Ca 0.09 -0.37 -0.24 0.00 0.43 0.00 0.00 52.55 52.46 1tfm s ASP 7 Cb -0.17 -0.96 -0.01 0.00 -0.30 0.00 0.00 42.92 41.48 1tfm s ASP 7 CO 0.11 -0.09 0.82 -0.69 -0.17 0.00 0.00 175.17 175.15 1tfm s VAL 8 N 1.59 4.85 -0.52 1.11 1.01 -1.26 -2.32 120.40 124.86 1tfm s VAL 8 Ca 0.04 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 1tfm s VAL 8 Cb -0.13 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.28 1tfm s VAL 8 CO -0.09 -0.05 0.30 0.28 0.00 0.00 0.00 175.10 175.55 1tfm s THR 9 N 2.69 3.27 0.00 3.92 -1.32 0.75 -4.88 115.64 120.06 1tfm s THR 9 Ca 0.35 -2.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.14 1tfm s THR 9 Cb -0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 1tfm s THR 9 CO 0.08 -0.78 0.00 -1.54 -2.21 0.00 0.00 174.62 170.17 1tfm n SER 10 N 3.83 0.00 -4.35 8.08 3.41 -1.26 -3.79 113.62 119.54 1tfm n SER 10 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.21 1tfm n SER 10 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1tfm n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tfm n GLN 11 N 0.00 3.41 -4.24 4.33 1.13 -1.26 -4.92 117.38 115.83 1tfm n GLN 11 Ca 0.00 -3.78 -0.27 0.00 -1.94 0.00 0.00 57.00 51.01 1tfm n GLN 11 Cb 0.00 -3.03 -0.06 0.00 0.11 0.00 0.00 30.24 27.26 1tfm n GLN 11 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1tfm s THR 12 N 1.39 1.83 0.25 5.09 -4.23 -1.26 -5.15 115.64 113.56 1tfm s THR 12 Ca 0.42 -1.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1tfm s THR 12 Cb -0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1tfm s THR 12 CO 0.00 0.00 0.45 0.42 -0.54 0.00 0.00 174.62 174.95 1tfm s THR 13 N -2.72 5.17 -0.39 3.99 -4.23 -1.26 -4.82 115.64 111.38 1tfm s THR 13 Ca 0.30 -0.43 0.22 0.00 -1.18 0.00 0.00 61.69 60.60 1tfm s THR 13 Cb 0.02 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1tfm s THR 13 CO 0.17 -0.31 1.54 1.23 -0.54 0.00 0.00 174.62 176.71 1tfm h GLY 14 N 1.53 0.00 0.87 3.99 0.00 -1.85 0.42 103.07 108.03 1tfm h GLY 14 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1tfm h GLY 14 CO 0.65 0.00 0.06 -2.09 0.00 0.00 0.00 176.54 175.16 1tfm h GLU 15 N 0.00 0.34 -0.61 4.80 4.81 -1.95 -2.84 114.58 119.14 1tfm h GLU 15 Ca -0.00 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1tfm h GLU 15 Cb 1.05 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 1tfm h GLU 15 CO 0.01 0.45 0.17 0.93 -0.73 0.00 0.00 179.01 179.83 1tfm h GLU 16 N 0.17 0.31 0.28 1.92 5.08 -1.35 0.20 114.58 121.20 1tfm h GLU 16 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1tfm h GLU 16 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1tfm h GLU 16 CO -0.00 0.20 -0.49 -0.92 -1.00 0.00 0.00 179.01 176.80 1tfm h TYR 17 N 0.32 -1.39 0.00 4.33 3.20 -1.30 -2.70 116.97 119.42 1tfm h TYR 17 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1tfm h TYR 17 Cb 0.45 0.57 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1tfm h TYR 17 CO -0.21 -0.61 -0.28 1.97 -1.64 0.00 0.00 178.16 177.38 1tfm n PHE 18 N -5.51 0.57 0.08 -3.82 1.16 -0.73 -1.91 117.46 107.29 1tfm n PHE 18 Ca -0.10 0.17 0.17 0.00 -1.87 0.00 0.00 57.45 55.82 1tfm n PHE 18 Cb 0.43 -0.70 0.68 0.00 -1.61 0.00 0.00 39.48 38.28 1tfm n PHE 18 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1tfm h ARG 19 N 0.00 0.00 -0.01 3.97 3.08 -0.62 2.15 114.38 122.94 1tfm h ARG 19 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1tfm h ARG 19 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1tfm h ARG 19 CO 0.00 0.00 -0.92 0.35 -1.07 0.00 0.00 179.97 178.33 1tfm h PHE 20 N 0.00 0.63 0.07 3.04 3.57 -1.10 -0.59 116.94 122.56 1tfm h PHE 20 Ca 0.18 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 1tfm h PHE 20 Cb 0.73 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.41 1tfm h PHE 20 CO 0.00 1.15 -0.43 0.82 -2.23 0.00 0.00 178.31 177.62 1tfm h ILE 21 N 0.25 1.64 -0.94 1.41 1.08 -0.52 -1.99 117.51 118.44 1tfm h ILE 21 Ca -0.08 -2.42 0.25 0.00 -0.39 0.00 0.00 64.86 62.22 1tfm h ILE 21 Cb 1.55 3.26 -0.17 0.00 -3.07 0.00 0.00 36.82 38.39 1tfm h ILE 21 CO 0.16 0.66 0.01 0.74 -0.69 0.00 0.00 178.15 179.04 1tfm h THR 22 N -0.64 0.09 0.17 -0.27 2.02 0.35 0.37 112.91 114.99 1tfm h THR 22 Ca -0.07 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1tfm h THR 22 Cb 1.33 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1tfm h THR 22 CO 0.08 0.01 -0.08 -0.07 0.37 0.00 0.00 175.52 175.83 1tfm h LEU 23 N 0.04 -0.19 -0.98 2.58 -0.00 -1.06 0.87 115.31 116.57 1tfm h LEU 23 Ca 0.55 -0.27 0.33 0.00 -0.00 0.00 0.00 57.88 58.48 1tfm h LEU 23 Cb 1.09 0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 41.63 1tfm h LEU 23 CO -0.87 0.20 0.30 0.25 -0.00 0.00 0.00 178.44 178.32 1tfm h LEU 24 N -0.61 -0.02 -0.05 1.67 6.46 -0.38 -0.40 115.31 121.99 1tfm h LEU 24 Ca -0.02 0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.90 1tfm h LEU 24 Cb 0.45 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1tfm h LEU 24 CO 0.04 -0.33 -0.33 -0.09 -0.62 0.00 0.00 178.44 177.10 1tfm h ARG 25 N 0.07 0.31 -0.05 1.25 2.43 0.86 -2.04 114.38 117.21 1tfm h ARG 25 Ca 0.70 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 1tfm h ARG 25 Cb 1.63 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.18 1tfm h ARG 25 CO -0.80 0.93 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.65 1tfm h ASP 26 N -0.21 -1.54 -0.68 -3.80 3.32 0.40 -2.78 116.42 111.12 1tfm h ASP 26 Ca -0.03 0.18 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1tfm h ASP 26 Cb 1.00 0.60 -0.08 0.00 0.22 0.00 0.00 39.33 41.07 1tfm h ASP 26 CO 0.07 -0.49 0.29 0.22 -1.72 0.00 0.00 179.24 177.60 1tfm h TYR 27 N -0.61 0.50 0.00 4.55 5.03 -0.76 0.16 116.97 125.84 1tfm h TYR 27 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1tfm h TYR 27 Cb 0.69 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1tfm h TYR 27 CO -0.51 0.13 0.00 1.33 -1.32 0.00 0.00 178.16 177.79 1tfm n VAL 28 N -4.96 0.12 -2.40 1.81 0.24 -0.80 -4.75 118.33 107.58 1tfm n VAL 28 Ca 0.11 0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 62.01 1tfm n VAL 28 Cb 0.32 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.09 1tfm n VAL 28 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1tfm s SER 29 N -2.56 6.67 0.13 -1.34 0.01 0.55 -3.95 113.70 113.21 1tfm s SER 29 Ca 0.26 1.26 -0.20 0.00 1.31 0.00 0.00 55.95 58.58 1tfm s SER 29 Cb 0.18 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1tfm s SER 29 CO 0.41 -1.07 1.69 0.77 0.41 0.00 0.00 173.24 175.45 1tfm h SER 30 N 9.31 -0.30 0.00 2.44 4.64 -1.21 -3.47 113.55 124.96 1tfm h SER 30 Ca -0.27 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1tfm h SER 30 Cb 1.10 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1tfm h SER 30 CO 1.03 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 1tfm n GLY 31 N -1.24 4.13 3.84 -0.77 0.00 -1.26 -4.98 105.19 104.91 1tfm n GLY 31 Ca -0.02 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1tfm n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tfm s SER 32 N -0.01 6.85 0.43 1.61 0.01 -1.26 -4.98 113.70 116.36 1tfm s SER 32 Ca 0.00 1.36 0.06 0.00 1.31 0.00 0.00 55.95 58.68 1tfm s SER 32 Cb 0.00 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1tfm s SER 32 CO 0.00 -0.18 0.14 -0.36 0.41 0.00 0.00 173.24 173.25 1tfm s PHE 33 N -1.92 2.44 -0.07 2.43 0.40 -1.26 -1.68 117.98 118.32 1tfm s PHE 33 Ca 0.53 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1tfm s PHE 33 Cb -0.11 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1tfm s PHE 33 CO 0.18 0.20 0.13 0.45 0.70 0.00 0.00 175.22 176.87 1tfm s SER 34 N -3.89 0.81 -1.40 1.36 0.15 0.14 -4.80 113.70 106.08 1tfm s SER 34 Ca 0.36 0.25 -0.09 0.00 0.70 0.00 0.00 55.95 57.16 1tfm s SER 34 Cb 0.05 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1tfm s SER 34 CO 0.19 -0.24 0.34 0.59 1.20 0.00 0.00 173.24 175.32 1tfm n ASN 35 N 5.24 -1.05 0.00 5.45 4.13 -1.26 -2.13 115.26 125.64 1tfm n ASN 35 Ca -0.06 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1tfm n ASN 35 Cb 0.50 -2.21 0.00 0.00 -1.54 0.00 0.00 39.78 36.53 1tfm n ASN 35 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1tfm n GLU 36 N -4.59 0.00 -4.86 3.52 1.02 -1.26 -5.02 120.64 109.45 1tfm n GLU 36 Ca -0.26 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.55 1tfm n GLU 36 Cb 0.66 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.59 1tfm n GLU 36 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1tfm s ILE 37 N -3.01 3.06 0.57 -3.67 1.01 -0.90 -5.04 121.20 113.23 1tfm s ILE 37 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 1tfm s ILE 37 Cb 0.00 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1tfm s ILE 37 CO 0.00 0.57 1.15 -2.65 0.00 0.00 0.00 174.94 174.01 1tfm n PRO 38 N 2.63 1.23 -5.18 2.79 -0.02 -1.26 0.27 135.00 135.46 1tfm n PRO 38 Ca -0.17 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 1tfm n PRO 38 Cb 0.52 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 1tfm n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1tfm s LEU 39 N -2.71 2.20 1.17 2.45 1.43 -0.68 -1.23 118.68 121.32 1tfm s LEU 39 Ca 0.74 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1tfm s LEU 39 Cb -0.42 -1.38 0.29 0.00 0.03 0.00 0.00 46.19 44.71 1tfm s LEU 39 CO 0.48 0.32 1.03 -0.76 0.23 0.00 0.00 176.35 177.64 1tfm s LEU 40 N -0.72 0.81 0.58 1.79 1.43 -0.96 -0.84 118.68 120.77 1tfm s LEU 40 Ca 0.11 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1tfm s LEU 40 Cb -0.10 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1tfm s LEU 40 CO -0.00 -4.28 1.07 -0.13 0.23 0.00 0.00 176.35 173.24 1tfm s ARG 41 N -4.43 3.33 0.63 1.70 0.52 -1.25 -4.48 118.95 114.96 1tfm s ARG 41 Ca 0.69 1.27 -0.18 0.00 -0.52 0.00 0.00 55.73 56.99 1tfm s ARG 41 Cb -0.25 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 1tfm s ARG 41 CO 0.65 -0.81 1.22 -0.65 0.02 0.00 0.00 175.30 175.72 1tfm s GLN 42 N -3.91 2.76 0.25 3.54 -0.21 -1.26 -4.68 119.66 116.15 1tfm s GLN 42 Ca 0.65 1.83 0.08 0.00 0.02 0.00 0.00 55.36 57.94 1tfm s GLN 42 Cb -0.17 -1.90 0.29 0.00 1.00 0.00 0.00 33.01 32.23 1tfm s GLN 42 CO 0.34 -1.38 1.57 0.66 -2.12 0.00 0.00 175.29 174.37 1tfm h SER 43 N 0.59 0.11 -0.69 5.90 4.64 -1.89 -3.30 113.55 118.90 1tfm h SER 43 Ca -0.50 -0.06 0.13 0.00 -0.47 0.00 0.00 61.79 60.89 1tfm h SER 43 Cb 1.30 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 1tfm h SER 43 CO 0.54 0.71 0.21 1.23 -0.87 0.00 0.00 176.83 178.65 1tfm h GLY 44 N 1.75 0.97 -7.48 -0.77 0.00 -2.00 -3.39 103.07 92.16 1tfm h GLY 44 Ca -0.01 -0.08 -0.68 0.00 0.00 0.00 0.00 47.33 46.56 1tfm h GLY 44 CO 0.09 -0.12 -0.32 -0.32 0.00 0.00 0.00 176.54 175.86 1tfm s GLY 45 N -3.39 1.93 0.26 4.60 0.00 -1.24 -5.00 107.32 104.48 1tfm s GLY 45 Ca -0.13 -1.41 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 1tfm s GLY 45 CO 0.75 0.99 0.92 -0.32 0.00 0.00 0.00 173.10 175.45 1tfm s GLY 46 N 1.74 0.16 -1.72 0.20 0.00 -1.26 -4.87 107.32 101.57 1tfm s GLY 46 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1tfm s GLY 46 CO 0.12 1.03 0.14 -0.62 0.00 0.00 0.00 173.10 173.76 1tfm n VAL 47 N -0.60 -1.21 0.00 1.40 0.31 -1.26 -5.02 118.33 111.94 1tfm n VAL 47 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1tfm n VAL 47 Cb 0.60 -3.06 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 1tfm n VAL 47 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1tfm n GLU 48 N -3.24 0.10 -0.01 5.55 0.00 -1.26 -5.06 120.64 116.72 1tfm n GLU 48 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.73 1tfm n GLU 48 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.98 1tfm n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1tfm h ALA 49 N -0.54 0.22 -0.65 -1.84 0.00 -1.99 -3.40 119.26 111.07 1tfm h ALA 49 Ca 0.00 -1.13 -0.45 0.00 0.00 0.00 0.00 54.91 53.33 1tfm h ALA 49 Cb 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 17.79 18.03 1tfm h ALA 49 CO 0.00 0.85 -0.32 0.00 0.00 0.00 0.00 179.25 179.78 1tfm n ALA 50 N -3.03 5.01 0.23 0.00 0.00 -1.26 -4.76 120.51 116.70 1tfm n ALA 50 Ca -0.27 -3.56 0.11 0.00 0.00 0.00 0.00 53.44 49.73 1tfm n ALA 50 Cb 0.87 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 1tfm n ALA 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tfm n ARG 51 N -0.87 0.52 -4.84 0.00 3.00 -1.26 -4.83 116.66 108.38 1tfm n ARG 51 Ca 0.43 0.04 -0.25 0.00 -0.00 0.00 0.00 57.85 58.07 1tfm n ARG 51 Cb 0.91 -1.71 -0.15 0.00 0.00 0.00 0.00 32.46 31.50 1tfm n ARG 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1tfm s PHE 52 N -3.34 1.57 -0.33 -0.14 0.08 -1.26 -2.74 117.98 111.82 1tfm s PHE 52 Ca -0.00 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 1tfm s PHE 52 Cb 0.12 -1.01 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1tfm s PHE 52 CO 0.81 -0.03 0.14 0.54 -0.10 0.00 0.00 175.22 176.57 1tfm s VAL 53 N -0.39 4.24 -0.14 -0.44 0.11 -0.35 -4.75 120.40 118.68 1tfm s VAL 53 Ca 0.06 -0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 1tfm s VAL 53 Cb -0.07 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.49 1tfm s VAL 53 CO -0.01 -0.06 1.30 -0.76 -3.33 0.00 0.00 175.10 172.25 1tfm s LEU 54 N 1.52 4.21 -0.12 2.54 1.02 -0.86 -0.92 118.68 126.06 1tfm s LEU 54 Ca 0.02 1.77 0.02 0.00 0.02 0.00 0.00 54.13 55.95 1tfm s LEU 54 Cb -0.18 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.48 1tfm s LEU 54 CO 0.05 -0.77 -0.18 0.54 0.02 0.00 0.00 176.35 176.01 1tfm s VAL 55 N 3.44 2.59 -0.30 -1.59 0.11 0.75 -0.24 120.40 125.16 1tfm s VAL 55 Ca 0.57 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1tfm s VAL 55 Cb -0.23 -2.05 0.07 0.00 -1.53 0.00 0.00 36.38 32.64 1tfm s VAL 55 CO 0.17 0.54 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.75 1tfm s GLU 56 N 0.42 2.09 -0.04 1.54 2.12 0.15 -0.49 118.70 124.49 1tfm s GLU 56 Ca -0.13 -1.49 -0.19 0.00 0.36 0.00 0.00 54.97 53.52 1tfm s GLU 56 Cb -0.17 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1tfm s GLU 56 CO 0.06 -0.71 0.54 -0.51 -0.54 0.00 0.00 175.26 174.11 1tfm s LEU 57 N 1.09 4.38 -0.03 2.70 2.01 -0.96 -1.39 118.68 126.49 1tfm s LEU 57 Ca -0.02 1.04 0.04 0.00 0.01 0.00 0.00 54.13 55.20 1tfm s LEU 57 Cb -0.20 -2.82 -0.01 0.00 0.01 0.00 0.00 46.19 43.17 1tfm s LEU 57 CO -0.05 0.09 -0.15 -0.89 1.01 0.00 0.00 176.35 176.36 1tfm s THR 58 N -0.04 1.27 0.21 5.49 2.01 -0.98 -1.55 115.64 122.05 1tfm s THR 58 Ca 0.29 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1tfm s THR 58 Cb -0.17 -1.08 0.04 0.00 0.01 0.00 0.00 72.50 71.29 1tfm s THR 58 CO 0.15 0.37 0.29 -0.46 -0.69 0.00 0.00 174.62 174.27 1tfm n ASN 59 N 3.02 0.60 0.08 3.53 2.04 -0.90 -0.18 115.26 123.45 1tfm n ASN 59 Ca -0.17 -1.45 0.00 0.00 -0.44 0.00 0.00 54.58 52.52 1tfm n ASN 59 Cb 0.54 -0.17 0.32 0.00 -2.53 0.00 0.00 39.78 37.94 1tfm n ASN 59 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1tfm h GLU 60 N 0.00 0.31 -0.97 -3.83 5.08 -1.90 -1.67 114.58 111.59 1tfm h GLU 60 Ca -0.10 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1tfm h GLU 60 Cb 0.41 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1tfm h GLU 60 CO 0.12 0.49 0.10 0.41 -1.00 0.00 0.00 179.01 179.13 1tfm n GLY 61 N -0.68 2.33 2.05 -3.84 0.00 -1.26 -4.85 105.19 98.94 1tfm n GLY 61 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1tfm n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfm n GLY 62 N 0.14 0.26 3.65 -0.02 0.00 -0.63 -4.92 105.19 103.68 1tfm n GLY 62 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1tfm n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tfm s ASP 63 N -1.90 7.01 -0.02 1.61 1.01 -1.26 -4.90 116.67 118.24 1tfm s ASP 63 Ca 0.00 1.24 0.07 0.00 0.71 0.00 0.00 52.55 54.57 1tfm s ASP 63 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1tfm s ASP 63 CO 0.00 -0.70 -0.23 -0.55 0.21 0.00 0.00 175.17 173.89 1tfm s SER 64 N 1.34 2.75 0.23 0.27 0.15 -1.26 -2.11 113.70 115.07 1tfm s SER 64 Ca 0.43 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.66 1tfm s SER 64 Cb -0.14 -0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 63.81 1tfm s SER 64 CO 0.09 0.29 0.09 0.27 1.20 0.00 0.00 173.24 175.17 1tfm s ILE 65 N -0.55 0.49 -0.03 6.45 -5.25 -0.59 -4.81 121.20 116.91 1tfm s ILE 65 Ca 0.09 -1.99 0.01 0.00 -0.99 0.00 0.00 60.65 57.76 1tfm s ILE 65 Cb -0.09 -2.53 0.02 0.00 2.95 0.00 0.00 42.46 42.81 1tfm s ILE 65 CO -0.01 -0.08 -0.02 -0.89 -1.79 0.00 0.00 174.94 172.15 1tfm s THR 66 N -3.80 0.29 0.03 8.37 2.01 -0.78 -2.25 115.64 119.50 1tfm s THR 66 Ca 0.36 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1tfm s THR 66 Cb 0.07 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1tfm s THR 66 CO 0.12 0.15 -0.02 0.00 -0.69 0.00 0.00 174.62 174.18 1tfm s ALA 67 N 0.76 3.22 -0.31 7.40 0.00 0.35 -0.11 121.76 133.08 1tfm s ALA 67 Ca -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1tfm s ALA 67 Cb -0.11 -1.25 0.05 0.00 0.00 0.00 0.00 23.12 21.80 1tfm s ALA 67 CO -0.01 0.65 0.02 0.00 0.00 0.00 0.00 175.76 176.43 1tfm s ALA 68 N -1.13 2.86 -0.22 0.00 0.00 0.31 -0.18 121.76 123.40 1tfm s ALA 68 Ca 0.21 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.32 1tfm s ALA 68 Cb -0.11 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1tfm s ALA 68 CO 0.12 -1.28 0.12 0.96 0.00 0.00 0.00 175.76 175.68 1tfm s ILE 69 N 1.29 5.14 -0.45 0.00 -4.36 -0.10 -0.14 121.20 122.58 1tfm s ILE 69 Ca -0.04 0.10 -0.30 0.00 -0.26 0.00 0.00 60.65 60.15 1tfm s ILE 69 Cb -0.20 -3.37 -0.10 0.00 1.25 0.00 0.00 42.46 40.05 1tfm s ILE 69 CO -0.00 0.39 2.34 -0.67 0.24 0.00 0.00 174.94 177.24 1tfm n ASP 70 N 4.00 2.22 0.27 4.36 -0.08 0.19 -1.21 116.55 126.31 1tfm n ASP 70 Ca -0.16 -0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.26 1tfm n ASP 70 Cb 0.52 -1.40 0.65 0.00 2.34 0.00 0.00 41.12 43.22 1tfm n ASP 70 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1tfm h VAL 71 N 7.44 0.06 -0.19 5.18 2.07 -1.83 0.81 116.25 129.79 1tfm h VAL 71 Ca -0.26 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1tfm h VAL 71 Cb 1.28 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1tfm h VAL 71 CO 1.10 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 178.41 1tfm h THR 72 N 0.00 1.27 0.00 2.57 1.03 -1.83 -3.38 112.91 112.56 1tfm h THR 72 Ca 0.05 -1.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.17 1tfm h THR 72 Cb 1.07 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1tfm h THR 72 CO -0.00 0.40 -0.06 -0.46 -0.01 0.00 0.00 175.52 175.39 1tfm n ASN 73 N -4.11 0.00 -0.27 0.00 0.23 0.10 -4.72 115.26 106.48 1tfm n ASN 73 Ca -0.01 -1.12 -0.04 0.00 -0.53 0.00 0.00 54.58 52.89 1tfm n ASN 73 Cb 0.41 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.07 1tfm n ASN 73 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1tfm n LEU 74 N 0.00 0.55 -4.77 -4.53 4.32 0.26 -4.97 117.00 107.86 1tfm n LEU 74 Ca 0.00 0.09 -0.37 0.00 -0.02 0.00 0.00 56.01 55.70 1tfm n LEU 74 Cb 0.52 -2.51 -0.00 0.00 -1.62 0.00 0.00 43.42 39.82 1tfm n LEU 74 CO 0.00 -0.99 0.86 -0.31 -1.22 0.00 0.00 177.39 175.73 1tfm s TYR 75 N -1.27 2.80 -0.19 -1.77 1.51 -1.25 -4.76 117.35 112.43 1tfm s TYR 75 Ca 0.00 1.51 -0.20 0.00 -1.01 0.00 0.00 57.07 57.37 1tfm s TYR 75 Cb 0.00 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.37 1tfm s TYR 75 CO 0.00 -1.71 0.60 0.08 -1.11 0.00 0.00 175.55 173.41 1tfm s VAL 76 N -1.49 5.05 -0.05 0.71 1.01 -1.26 0.57 120.40 124.94 1tfm s VAL 76 Ca 0.64 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1tfm s VAL 76 Cb -0.31 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1tfm s VAL 76 CO 0.37 0.15 0.18 1.33 0.00 0.00 0.00 175.10 177.13 1tfm n VAL 77 N 4.55 0.00 -3.81 2.92 0.24 0.80 -4.76 118.33 118.28 1tfm n VAL 77 Ca -0.02 -0.19 -0.06 0.00 -2.04 0.00 0.00 64.34 62.02 1tfm n VAL 77 Cb 0.50 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 1tfm n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tfm s ALA 78 N -2.41 -1.37 0.07 2.33 0.00 -1.22 -2.11 121.76 117.05 1tfm s ALA 78 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1tfm s ALA 78 Cb 0.05 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1tfm s ALA 78 CO 0.31 -1.03 -0.14 1.52 0.00 0.00 0.00 175.76 176.42 1tfm s TYR 79 N -3.71 1.18 0.01 0.00 1.13 -0.94 -0.53 117.35 114.49 1tfm s TYR 79 Ca 0.11 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1tfm s TYR 79 Cb -0.04 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 40.11 1tfm s TYR 79 CO 0.05 0.05 0.14 -1.14 -2.51 0.00 0.00 175.55 172.13 1tfm s GLN 80 N -1.67 3.23 0.00 -3.49 0.74 0.84 -1.28 119.66 118.04 1tfm s GLN 80 Ca -0.02 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1tfm s GLN 80 Cb -0.10 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1tfm s GLN 80 CO 0.02 0.64 0.00 0.00 -0.55 0.00 0.00 175.29 175.40 1tfm n ALA 81 N 0.87 0.20 -1.48 1.58 0.00 0.12 -1.87 120.51 119.93 1tfm n ALA 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1tfm n ALA 81 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1tfm n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tfm n GLY 82 N 4.30 0.87 2.34 0.00 0.00 -1.26 -4.75 105.19 106.68 1tfm n GLY 82 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1tfm n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tfm n SER 83 N 0.00 4.94 -4.42 1.61 7.64 -1.26 -5.02 113.62 117.11 1tfm n SER 83 Ca 0.00 -3.74 -0.27 0.00 1.01 0.00 0.00 58.87 55.87 1tfm n SER 83 Cb 0.00 -0.45 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1tfm n SER 83 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1tfm s GLN 84 N -3.58 1.50 0.01 1.43 -1.52 -1.26 -2.92 119.66 113.31 1tfm s GLN 84 Ca 0.49 -1.50 0.04 0.00 -1.95 0.00 0.00 55.36 52.45 1tfm s GLN 84 Cb 0.41 -1.84 -0.01 0.00 -0.22 0.00 0.00 33.01 31.35 1tfm s GLN 84 CO -0.12 0.40 -0.13 -1.54 -0.25 0.00 0.00 175.29 173.65 1tfm s SER 85 N -2.59 1.57 -0.13 5.90 1.04 -0.14 -0.70 113.70 118.65 1tfm s SER 85 Ca 0.20 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 1tfm s SER 85 Cb -0.08 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.93 1tfm s SER 85 CO 0.09 0.12 -0.02 -0.31 0.98 0.00 0.00 173.24 174.10 1tfm s TYR 86 N -0.49 1.16 -0.26 5.02 1.51 -0.41 -0.96 117.35 122.92 1tfm s TYR 86 Ca 0.04 -0.65 -0.07 0.00 -1.01 0.00 0.00 57.07 55.38 1tfm s TYR 86 Cb -0.06 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1tfm s TYR 86 CO 0.00 -0.49 0.06 -0.06 -1.11 0.00 0.00 175.55 173.95 1tfm s PHE 87 N 1.81 3.09 0.00 2.71 0.40 -0.01 -2.21 117.98 123.78 1tfm s PHE 87 Ca 0.03 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1tfm s PHE 87 Cb -0.14 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1tfm s PHE 87 CO -0.07 -0.46 0.00 1.47 0.70 0.00 0.00 175.22 176.86 1tfm n LEU 88 N 4.89 0.00 -4.01 -0.37 -0.00 -0.89 0.91 117.00 117.53 1tfm n LEU 88 Ca -0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.42 1tfm n LEU 88 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1tfm n LEU 88 CO 0.31 -0.54 1.55 -1.20 -0.00 0.00 0.00 177.39 177.51 1tfm n SER 89 N -2.31 5.56 0.00 1.45 7.64 -1.12 -4.74 113.62 120.10 1tfm n SER 89 Ca 0.00 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1tfm n SER 89 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 1tfm n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tfm n GLY 90 N 2.46 5.55 0.00 0.23 0.00 -1.26 -4.82 105.19 107.35 1tfm n GLY 90 Ca 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1tfm n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tfm n PRO 91 N 0.00 0.00 -0.06 1.61 -0.04 -1.26 -4.68 135.00 130.57 1tfm n PRO 91 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1tfm n PRO 91 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1tfm n PRO 91 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tfm n GLY 92 N 0.00 3.16 7.00 0.55 0.00 -1.26 -5.14 105.19 109.50 1tfm n GLY 92 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1tfm n GLY 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tfm n THR 93 N -0.81 0.00 -4.63 2.61 -1.04 -1.26 -5.09 114.28 104.05 1tfm n THR 93 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1tfm n THR 93 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1tfm n THR 93 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1tfm n HIS 94 N 0.00 0.00 0.00 -1.42 8.25 -1.26 -4.98 115.22 115.81 1tfm n HIS 94 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1tfm n HIS 94 Cb 0.00 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1tfm n HIS 94 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1tfm n LEU 95 N 0.00 0.00 -3.05 2.41 4.77 -1.26 -4.74 117.00 115.12 1tfm n LEU 95 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1tfm n LEU 95 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1tfm n LEU 95 CO 0.00 0.00 -0.16 0.49 -1.33 0.00 0.00 177.39 176.39 1tfm n PHE 96 N -0.63 0.10 -1.02 -1.77 3.72 -1.26 -5.06 117.46 111.53 1tfm n PHE 96 Ca 0.00 -3.49 -0.36 0.00 -0.05 0.00 0.00 57.45 53.55 1tfm n PHE 96 Cb 0.00 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1tfm n PHE 96 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1tfm n THR 97 N 0.21 0.01 -2.04 4.37 -2.24 -1.26 -2.23 114.28 111.09 1tfm n THR 97 Ca 0.20 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.44 1tfm n THR 97 Cb 0.69 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1tfm n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tfm n GLY 98 N 3.35 -0.18 3.72 3.38 0.00 -1.26 -4.94 105.19 109.25 1tfm n GLY 98 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1tfm n GLY 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tfm s THR 99 N -1.98 2.31 -0.23 2.61 -4.23 -0.95 -5.08 115.64 108.10 1tfm s THR 99 Ca 0.00 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.51 1tfm s THR 99 Cb 0.00 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 1tfm s THR 99 CO 0.00 -0.02 0.86 -0.89 -0.54 0.00 0.00 174.62 174.03 1tfm s THR 100 N -2.60 4.83 0.37 3.99 2.01 -1.15 -4.92 115.64 118.17 1tfm s THR 100 Ca 0.40 1.64 -0.19 0.00 0.31 0.00 0.00 61.69 63.85 1tfm s THR 100 Cb 0.04 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 1tfm s THR 100 CO 0.22 -0.07 0.85 -0.13 -0.69 0.00 0.00 174.62 174.80 1tfm s ARG 101 N 2.75 4.15 0.03 4.92 3.00 -1.26 -0.97 118.95 131.57 1tfm s ARG 101 Ca 0.37 0.93 -0.14 0.00 0.00 0.00 0.00 55.73 56.88 1tfm s ARG 101 Cb -0.15 -2.35 0.02 0.00 0.00 0.00 0.00 34.95 32.47 1tfm s ARG 101 CO 0.08 0.08 0.31 -1.12 0.00 0.00 0.00 175.30 174.66 1tfm s SER 102 N -2.17 -0.15 -0.14 0.23 0.01 -0.13 -4.87 113.70 106.48 1tfm s SER 102 Ca 0.57 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.70 1tfm s SER 102 Cb -0.10 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 1tfm s SER 102 CO 0.16 -0.58 -0.08 -0.44 0.41 0.00 0.00 173.24 172.71 1tfm s SER 103 N -1.89 4.44 0.49 2.44 0.01 -1.26 -0.83 113.70 117.10 1tfm s SER 103 Ca -0.07 -0.22 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 1tfm s SER 103 Cb -0.02 -1.70 -0.09 0.00 0.21 0.00 0.00 66.02 64.42 1tfm s SER 103 CO -0.01 0.17 0.99 -0.76 0.41 0.00 0.00 173.24 174.03 1tfm s LEU 104 N 0.35 3.74 -0.12 2.44 2.01 0.26 -4.83 118.68 122.53 1tfm s LEU 104 Ca -0.07 1.67 0.05 0.00 0.01 0.00 0.00 54.13 55.79 1tfm s LEU 104 Cb -0.15 -4.53 0.32 0.00 0.01 0.00 0.00 46.19 41.84 1tfm s LEU 104 CO 0.04 -0.59 1.10 -0.81 1.01 0.00 0.00 176.35 177.11 1tfm n PRO 105 N -1.24 2.30 -3.84 1.29 -0.04 -1.26 -4.36 135.00 127.85 1tfm n PRO 105 Ca 0.07 -1.26 -0.12 0.00 -0.04 0.00 0.00 63.50 62.15 1tfm n PRO 105 Cb 0.54 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 1tfm n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1tfm s PHE 106 N -1.61 -0.08 0.67 0.54 -0.12 -1.26 -5.02 117.98 111.10 1tfm s PHE 106 Ca 0.22 0.17 -0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1tfm s PHE 106 Cb 0.18 0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.67 1tfm s PHE 106 CO 0.06 -0.19 0.93 0.54 -0.05 0.00 0.00 175.22 176.51 1tfm s ASN 107 N -0.64 4.65 -0.06 1.98 2.20 -1.26 -2.80 114.94 119.01 1tfm s ASN 107 Ca -0.07 -0.24 0.01 0.00 -0.94 0.00 0.00 52.86 51.62 1tfm s ASN 107 Cb -0.04 -0.30 0.12 0.00 -2.00 0.00 0.00 41.25 39.02 1tfm s ASN 107 CO 0.01 -1.63 0.99 0.61 -2.94 0.00 0.00 177.10 174.14 1tfm n GLY 108 N -2.68 2.17 3.82 0.45 0.00 -1.26 -4.01 105.19 103.67 1tfm n GLY 108 Ca 0.13 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1tfm n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tfm s SER 109 N 0.34 5.90 0.00 1.61 0.15 -1.26 -4.90 113.70 115.54 1tfm s SER 109 Ca 0.09 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1tfm s SER 109 Cb 0.08 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1tfm s SER 109 CO 0.02 0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.75 1tfm n TYR 110 N 1.24 0.00 -0.33 3.44 9.36 -1.26 -0.05 117.16 129.56 1tfm n TYR 110 Ca -0.13 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.25 1tfm n TYR 110 Cb 0.53 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.61 1tfm n TYR 110 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1tfm h PRO 111 N 0.00 0.44 0.11 2.98 0.11 -1.99 -2.61 132.00 131.03 1tfm h PRO 111 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1tfm h PRO 111 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1tfm h PRO 111 CO 0.00 0.29 -0.05 0.22 -0.21 0.00 0.00 178.00 178.25 1tfm h ASP 112 N 0.45 -0.12 -0.57 -2.05 3.58 -1.47 0.27 116.42 116.52 1tfm h ASP 112 Ca 0.62 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1tfm h ASP 112 Cb 1.23 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1tfm h ASP 112 CO -0.53 0.42 0.17 0.25 -2.88 0.00 0.00 179.24 176.67 1tfm h LEU 113 N -0.72 0.83 -0.55 2.28 5.85 -0.09 0.47 115.31 123.40 1tfm h LEU 113 Ca -0.01 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.60 1tfm h LEU 113 Cb 0.54 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1tfm h LEU 113 CO 0.02 0.83 0.06 -0.33 -0.34 0.00 0.00 178.44 178.68 1tfm h GLU 114 N 0.80 0.18 0.00 1.25 4.39 -1.44 0.45 114.58 120.20 1tfm h GLU 114 Ca 0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1tfm h GLU 114 Cb 0.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1tfm h GLU 114 CO -0.00 0.12 0.36 0.37 -1.16 0.00 0.00 179.01 178.69 1tfm h GLN 115 N 0.18 0.00 0.01 2.33 4.15 0.21 1.09 115.11 123.08 1tfm h GLN 115 Ca 0.28 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 59.29 1tfm h GLN 115 Cb 0.42 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1tfm h GLN 115 CO -0.41 0.00 -2.36 0.66 -1.93 0.00 0.00 178.83 174.79 1tfm n TYR 116 N -2.63 0.19 1.08 3.99 4.02 -0.43 -4.71 117.16 118.68 1tfm n TYR 116 Ca -0.02 0.06 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1tfm n TYR 116 Cb 0.40 -1.02 0.44 0.00 -0.02 0.00 0.00 39.34 39.13 1tfm n TYR 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tfm n ALA 117 N -3.77 3.00 0.00 -0.72 0.00 0.33 -4.58 120.51 114.76 1tfm n ALA 117 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1tfm n ALA 117 Cb 0.91 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1tfm n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tfm n GLY 118 N 1.45 -1.97 3.77 0.00 0.00 0.12 -4.65 105.19 103.91 1tfm n GLY 118 Ca 0.08 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 1tfm n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tfm s HIS 119 N -2.48 2.63 -0.57 1.61 0.09 -1.26 -4.65 115.29 110.65 1tfm s HIS 119 Ca 0.00 1.26 0.20 0.00 -0.00 0.00 0.00 55.06 56.52 1tfm s HIS 119 Cb 0.00 -3.90 0.88 0.00 -0.00 0.00 0.00 32.58 29.56 1tfm s HIS 119 CO 0.00 -2.72 1.62 2.89 -0.00 0.00 0.00 174.74 176.53 1tfm n ARG 120 N 0.23 0.14 0.00 1.40 0.00 -1.26 -2.64 116.66 114.53 1tfm n ARG 120 Ca 0.03 0.42 0.12 0.00 -0.00 0.00 0.00 57.85 58.42 1tfm n ARG 120 Cb 0.41 -1.79 0.73 0.00 -0.00 0.00 0.00 32.46 31.81 1tfm n ARG 120 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1tfm n LYS 121 N -2.05 0.91 -1.09 2.89 2.85 -1.26 -3.33 118.16 117.07 1tfm n LYS 121 Ca 0.02 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.27 1tfm n LYS 121 Cb 0.18 -1.42 -0.02 0.00 -0.65 0.00 0.00 35.03 33.12 1tfm n LYS 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1tfm n GLN 122 N -0.92 0.00 -3.66 -1.58 10.64 -1.08 -4.80 117.38 115.97 1tfm n GLN 122 Ca 0.18 -1.32 -0.39 0.00 -1.83 0.00 0.00 57.00 53.64 1tfm n GLN 122 Cb 0.08 0.11 -0.11 0.00 -0.86 0.00 0.00 30.24 29.46 1tfm n GLN 122 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1tfm s ILE 123 N 0.00 4.19 0.60 -0.39 1.09 -1.21 -5.01 121.20 120.47 1tfm s ILE 123 Ca 0.14 -1.08 -0.19 0.00 -1.10 0.00 0.00 60.65 58.43 1tfm s ILE 123 Cb 0.16 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.13 1tfm s ILE 123 CO -0.07 -0.27 1.07 -2.65 -0.10 0.00 0.00 174.94 172.92 1tfm n PRO 124 N 4.91 1.04 -4.43 2.79 -0.02 -1.26 -4.72 135.00 133.30 1tfm n PRO 124 Ca -0.12 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 1tfm n PRO 124 Cb 0.45 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 1tfm n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1tfm s LEU 125 N -2.58 2.46 0.00 2.45 1.43 -0.18 -4.92 118.68 117.34 1tfm s LEU 125 Ca 0.76 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1tfm s LEU 125 Cb -0.42 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1tfm s LEU 125 CO 0.46 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1tfm n GLY 126 N 0.10 -0.01 0.29 -3.19 0.00 -1.26 -1.66 105.19 99.46 1tfm n GLY 126 Ca -0.11 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 1tfm n GLY 126 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tfm h ILE 127 N 4.95 1.01 -0.48 -0.61 5.03 -1.87 -1.65 117.51 123.89 1tfm h ILE 127 Ca 0.00 -0.29 0.10 0.00 -0.12 0.00 0.00 64.86 64.55 1tfm h ILE 127 Cb 0.00 0.09 -0.10 0.00 -3.03 0.00 0.00 36.82 33.79 1tfm h ILE 127 CO 0.00 0.15 -0.17 0.44 -0.68 0.00 0.00 178.15 177.89 1tfm h ASP 128 N 0.84 -0.60 0.06 1.72 5.19 -1.91 0.30 116.42 122.02 1tfm h ASP 128 Ca 0.34 0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.81 1tfm h ASP 128 Cb 0.18 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1tfm h ASP 128 CO -0.18 -0.21 -0.34 1.56 -3.12 0.00 0.00 179.24 176.96 1tfm h GLN 129 N -0.06 0.40 0.12 3.56 7.50 -1.79 0.22 115.11 125.06 1tfm h GLN 129 Ca 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 1tfm h GLN 129 Cb 0.41 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.93 1tfm h GLN 129 CO -0.53 0.69 -0.06 1.25 -1.50 0.00 0.00 178.83 178.68 1tfm h LEU 130 N 0.34 -0.14 -0.08 1.46 5.85 -0.20 0.12 115.31 122.67 1tfm h LEU 130 Ca 0.04 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1tfm h LEU 130 Cb 0.76 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1tfm h LEU 130 CO 0.06 0.26 -0.41 0.40 -0.34 0.00 0.00 178.44 178.41 1tfm h ILE 131 N -0.56 0.00 0.00 4.05 2.04 -0.33 0.28 117.51 122.99 1tfm h ILE 131 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1tfm h ILE 131 Cb 0.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1tfm h ILE 131 CO 0.03 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1tfm n GLN 132 N -4.75 0.09 0.04 2.37 6.02 0.77 -1.93 117.38 119.99 1tfm n GLN 132 Ca -0.05 0.55 -0.18 0.00 -0.01 0.00 0.00 57.00 57.31 1tfm n GLN 132 Cb 0.29 -1.96 -0.14 0.00 1.02 0.00 0.00 30.24 29.45 1tfm n GLN 132 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1tfm h SER 133 N 0.00 0.38 -0.15 1.08 0.02 0.23 -2.94 113.55 112.18 1tfm h SER 133 Ca 0.00 -0.66 -0.04 0.00 -0.84 0.00 0.00 61.79 60.26 1tfm h SER 133 Cb 0.33 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1tfm h SER 133 CO 0.00 1.57 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.83 1tfm h VAL 134 N 0.07 1.30 -0.45 2.27 -1.51 -0.84 -2.00 116.25 115.09 1tfm h VAL 134 Ca -0.32 -1.06 0.05 0.00 -1.23 0.00 0.00 66.70 64.14 1tfm h VAL 134 Cb 2.04 1.70 -0.08 0.00 -2.13 0.00 0.00 31.29 32.82 1tfm h VAL 134 CO 0.13 0.31 -0.49 0.74 -1.23 0.00 0.00 177.57 177.04 1tfm h THR 135 N -0.02 0.00 -0.07 7.19 2.02 -1.67 0.80 112.91 121.16 1tfm h THR 135 Ca 0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 1tfm h THR 135 Cb 0.51 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1tfm h THR 135 CO 0.02 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.50 1tfm h ALA 136 N -0.12 1.19 -0.28 6.16 0.00 -1.42 -1.12 119.26 123.67 1tfm h ALA 136 Ca 0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1tfm h ALA 136 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1tfm h ALA 136 CO -0.57 0.56 -0.40 -0.07 0.00 0.00 0.00 179.25 178.77 1tfm h LEU 137 N 0.12 0.72 -1.24 0.00 3.38 -0.47 -2.74 115.31 115.09 1tfm h LEU 137 Ca 0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1tfm h LEU 137 Cb 0.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1tfm h LEU 137 CO 0.06 1.04 0.00 -0.09 0.09 0.00 0.00 178.44 179.54 1tfm h ARG 138 N 0.56 0.00 0.00 1.13 9.65 0.18 -3.46 114.38 122.44 1tfm h ARG 138 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1tfm h ARG 138 Cb 0.93 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1tfm h ARG 138 CO 0.08 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.04 1tfm n PHE 139 N -2.82 0.00 -0.95 2.20 3.72 -0.81 -4.68 117.46 114.12 1tfm n PHE 139 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.11 1tfm n PHE 139 Cb 0.28 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 1tfm n PHE 139 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1tfm n PRO 140 N 0.00 0.00 -3.36 -1.08 -0.02 -1.26 -4.90 135.00 124.37 1tfm n PRO 140 Ca 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.02 1tfm n PRO 140 Cb 0.00 -0.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 1tfm n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tfm s GLY 141 N -0.77 2.64 -0.24 -1.23 0.00 -1.26 -4.95 107.32 101.51 1tfm s GLY 141 Ca 0.43 -3.30 -0.04 0.00 0.00 0.00 0.00 44.72 41.81 1tfm s GLY 141 CO 0.52 1.24 0.42 0.21 0.00 0.00 0.00 173.10 175.50 1tfm s ASN 142 N 2.06 -0.14 0.00 1.64 3.84 -1.26 -5.12 114.94 115.97 1tfm s ASN 142 Ca 0.17 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.80 1tfm s ASN 142 Cb -0.11 1.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.93 1tfm s ASN 142 CO -0.08 -0.27 0.00 0.41 -2.79 0.00 0.00 177.10 174.36 1tfm n THR 143 N 5.38 0.00 -0.25 -5.21 -1.04 -1.26 -3.49 114.28 108.41 1tfm n THR 143 Ca -0.05 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.12 1tfm n THR 143 Cb 0.50 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.31 1tfm n THR 143 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1tfm n ARG 144 N 0.00 -0.05 0.05 -2.82 0.63 -1.26 -0.35 116.66 112.85 1tfm n ARG 144 Ca 0.00 1.08 0.12 0.00 -0.92 0.00 0.00 57.85 58.13 1tfm n ARG 144 Cb 0.00 -1.80 0.09 0.00 0.45 0.00 0.00 32.46 31.20 1tfm n ARG 144 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1tfm n THR 145 N -4.89 0.29 0.05 5.15 5.66 -1.23 -1.47 114.28 117.84 1tfm n THR 145 Ca 0.22 -0.28 -0.21 0.00 -3.05 0.00 0.00 64.05 60.73 1tfm n THR 145 Cb 0.72 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.40 1tfm n THR 145 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1tfm h GLN 146 N 0.00 0.69 0.83 1.09 4.20 -0.92 -3.03 115.11 117.98 1tfm h GLN 146 Ca 0.00 -0.78 -0.04 0.00 0.06 0.00 0.00 58.65 57.89 1tfm h GLN 146 Cb 0.76 0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.77 1tfm h GLN 146 CO 0.00 1.34 -0.42 0.00 -0.67 0.00 0.00 178.83 179.08 1tfm h ALA 147 N 0.38 -1.15 -0.79 3.87 0.00 -0.95 -2.06 119.26 118.56 1tfm h ALA 147 Ca -0.14 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.65 1tfm h ALA 147 Cb 1.74 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 19.91 1tfm h ALA 147 CO 0.21 -1.15 0.39 -0.09 0.00 0.00 0.00 179.25 178.61 1tfm h ARG 148 N -1.14 0.57 0.67 0.00 2.43 -1.37 0.37 114.38 115.92 1tfm h ARG 148 Ca -0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1tfm h ARG 148 Cb 0.88 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1tfm h ARG 148 CO 0.17 0.38 -0.32 0.77 -1.51 0.00 0.00 179.97 179.46 1tfm h SER 149 N 0.59 -0.76 -0.42 -3.80 0.02 -1.51 0.17 113.55 107.84 1tfm h SER 149 Ca 0.42 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1tfm h SER 149 Cb 0.55 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1tfm h SER 149 CO -0.34 -0.38 -0.32 0.40 -1.14 0.00 0.00 176.83 175.06 1tfm h ILE 150 N -1.23 0.00 -0.74 3.27 1.08 -0.53 0.48 117.51 119.84 1tfm h ILE 150 Ca -0.09 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.60 1tfm h ILE 150 Cb 0.70 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.31 1tfm h ILE 150 CO 0.15 0.00 0.07 -0.11 -0.69 0.00 0.00 178.15 177.58 1tfm n LEU 151 N -4.22 -0.03 -0.01 1.44 -0.00 0.12 0.11 117.00 114.41 1tfm n LEU 151 Ca -0.00 1.25 -0.12 0.00 -0.00 0.00 0.00 56.01 57.13 1tfm n LEU 151 Cb 0.16 -0.48 -0.08 0.00 -0.00 0.00 0.00 43.42 43.03 1tfm n LEU 151 CO -0.05 -1.29 0.74 0.40 -0.00 0.00 0.00 177.39 177.19 1tfm h ILE 152 N 0.00 1.24 -0.72 1.96 2.04 0.29 -2.97 117.51 119.34 1tfm h ILE 152 Ca 0.48 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.72 1tfm h ILE 152 Cb 1.04 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 38.66 1tfm h ILE 152 CO -0.67 0.21 0.28 -0.07 0.00 0.00 0.00 178.15 177.89 1tfm h LEU 153 N -0.18 0.25 -0.02 1.44 3.38 0.34 -1.76 115.31 118.77 1tfm h LEU 153 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1tfm h LEU 153 Cb 0.32 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1tfm h LEU 153 CO 0.00 0.11 -0.16 0.40 0.09 0.00 0.00 178.44 178.88 1tfm h ILE 154 N 0.43 0.61 0.00 1.22 1.08 -0.60 -1.51 117.51 118.74 1tfm h ILE 154 Ca 0.39 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.75 1tfm h ILE 154 Cb 0.57 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1tfm h ILE 154 CO -0.39 0.00 -0.54 1.56 -0.69 0.00 0.00 178.15 178.09 1tfm h GLN 155 N -0.25 0.00 -0.00 2.37 4.20 -1.26 0.88 115.11 121.05 1tfm h GLN 155 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1tfm h GLN 155 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1tfm h GLN 155 CO -0.17 0.54 -0.39 -1.33 -0.67 0.00 0.00 178.83 176.81 1tfm n MET 156 N -3.72 0.18 0.02 1.46 2.81 -0.71 -3.52 117.12 113.64 1tfm n MET 156 Ca -0.01 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1tfm n MET 156 Cb 0.58 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 1tfm n MET 156 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tfm n ILE 157 N -1.32 0.20 0.18 2.02 5.41 -0.57 -4.59 119.36 120.68 1tfm n ILE 157 Ca 0.07 0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.75 1tfm n ILE 157 Cb 0.33 -0.77 -0.08 0.00 -0.71 0.00 0.00 39.64 38.42 1tfm n ILE 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1tfm h SER 158 N 0.00 -1.14 -0.50 4.38 0.02 -1.01 -2.55 113.55 112.75 1tfm h SER 158 Ca 0.00 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1tfm h SER 158 Cb 0.00 0.40 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 1tfm h SER 158 CO 0.00 -0.49 0.13 -0.33 -1.14 0.00 0.00 176.83 175.00 1tfm h GLU 159 N -0.71 0.27 -0.72 3.45 4.39 -1.25 0.13 114.58 120.15 1tfm h GLU 159 Ca -0.03 -0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.84 1tfm h GLU 159 Cb 0.65 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1tfm h GLU 159 CO -0.11 0.18 0.51 0.00 -1.16 0.00 0.00 179.01 178.42 1tfm h ALA 160 N 1.37 2.54 0.00 3.43 0.00 -1.58 -1.19 119.26 123.83 1tfm h ALA 160 Ca 0.25 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 1tfm h ALA 160 Cb 0.31 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1tfm h ALA 160 CO -0.30 -0.74 -1.14 0.00 0.00 0.00 0.00 179.25 177.07 1tfm h ALA 161 N 1.65 0.55 0.20 0.00 0.00 -0.33 -3.28 119.26 118.05 1tfm h ALA 161 Ca 0.35 -0.96 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 1tfm h ALA 161 Cb 1.24 0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.13 1tfm h ALA 161 CO -0.04 1.19 -1.17 0.00 0.00 0.00 0.00 179.25 179.23 1tfm h ARG 162 N 0.00 0.43 -6.20 0.00 3.08 -0.79 -3.41 114.38 107.49 1tfm h ARG 162 Ca -0.10 -0.73 -0.67 0.00 0.07 0.00 0.00 59.98 58.56 1tfm h ARG 162 Cb 1.74 0.27 -0.30 0.00 0.08 0.00 0.00 29.97 31.76 1tfm h ARG 162 CO 0.10 1.35 -0.88 -0.06 -1.07 0.00 0.00 179.97 179.41 1tfm s PHE 163 N -2.52 2.23 0.14 3.04 0.08 -0.50 0.75 117.98 121.20 1tfm s PHE 163 Ca -0.11 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.36 1tfm s PHE 163 Cb 0.02 -1.45 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1tfm s PHE 163 CO 0.89 -0.11 1.35 -0.91 -0.10 0.00 0.00 175.22 176.34 1tfm h ASN 164 N 5.77 0.64 0.21 1.36 4.21 -1.45 -1.95 115.58 124.37 1tfm h ASN 164 Ca -0.38 -0.45 -0.03 0.00 1.21 0.00 0.00 56.30 56.65 1tfm h ASN 164 Cb 1.15 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.15 1tfm h ASN 164 CO 0.47 1.22 -0.16 -0.65 -1.29 0.00 0.00 177.43 177.03 1tfm h PRO 165 N 0.33 0.00 0.05 0.81 0.11 -1.91 0.44 132.00 131.83 1tfm h PRO 165 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1tfm h PRO 165 Cb 1.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1tfm h PRO 165 CO 0.15 0.16 -0.02 0.82 -0.21 0.00 0.00 178.00 178.90 1tfm h ILE 166 N 0.00 1.32 -0.43 4.15 2.04 -1.84 -2.73 117.51 120.03 1tfm h ILE 166 Ca -0.00 -1.40 0.08 0.00 1.00 0.00 0.00 64.86 64.54 1tfm h ILE 166 Cb 0.31 2.22 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 1tfm h ILE 166 CO 0.02 0.34 -0.34 0.25 0.00 0.00 0.00 178.15 178.42 1tfm h LEU 167 N -0.70 -1.14 -1.24 1.44 7.12 -1.08 -1.33 115.31 118.37 1tfm h LEU 167 Ca -0.01 0.20 -0.06 0.00 0.13 0.00 0.00 57.88 58.14 1tfm h LEU 167 Cb 0.61 0.53 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1tfm h LEU 167 CO 0.01 -0.32 -0.16 -0.50 -0.13 0.00 0.00 178.44 177.34 1tfm h TRP 168 N -0.25 0.34 -0.02 1.25 6.55 -0.21 -0.73 115.95 122.89 1tfm h TRP 168 Ca 0.18 -0.05 -0.09 0.00 0.95 0.00 0.00 58.89 59.88 1tfm h TRP 168 Cb 0.55 -0.09 0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1tfm h TRP 168 CO -0.56 0.48 -0.35 -0.09 -1.05 0.00 0.00 178.44 176.86 1tfm h ARG 169 N 0.30 0.26 -0.95 0.49 2.43 -1.08 -2.65 114.38 113.17 1tfm h ARG 169 Ca 0.06 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1tfm h ARG 169 Cb 0.46 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1tfm h ARG 169 CO 0.03 0.96 0.62 0.00 -1.51 0.00 0.00 179.97 180.06 1tfm h ALA 170 N 0.31 1.30 -0.26 2.80 0.00 -1.05 -2.09 119.26 120.26 1tfm h ALA 170 Ca -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1tfm h ALA 170 Cb 1.07 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1tfm h ALA 170 CO 0.07 0.64 0.03 -0.09 0.00 0.00 0.00 179.25 179.90 1tfm h ARG 171 N 1.30 0.38 0.07 0.00 9.65 -1.10 0.13 114.38 124.80 1tfm h ARG 171 Ca 0.35 -0.06 -0.27 0.00 -1.10 0.00 0.00 59.98 58.90 1tfm h ARG 171 Cb -0.13 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1tfm h ARG 171 CO -0.07 0.39 -1.13 -0.56 2.80 0.00 0.00 179.97 181.40 1tfm h GLN 172 N 0.38 0.50 -0.07 0.20 3.07 -1.02 -0.14 115.11 118.02 1tfm h GLN 172 Ca 0.09 -0.64 -0.23 0.00 0.09 0.00 0.00 58.65 57.97 1tfm h GLN 172 Cb 0.21 0.20 0.01 0.00 0.08 0.00 0.00 27.48 27.98 1tfm h GLN 172 CO 0.00 1.26 -0.86 1.88 0.09 0.00 0.00 178.83 181.20 1tfm h TYR 173 N 0.24 0.87 -0.86 0.06 0.05 -1.27 -2.02 116.97 114.04 1tfm h TYR 173 Ca -0.14 -0.42 0.08 0.00 0.05 0.00 0.00 58.73 58.30 1tfm h TYR 173 Cb 1.79 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 39.35 1tfm h TYR 173 CO 0.09 1.24 0.52 0.82 -1.05 0.00 0.00 178.16 179.77 1tfm h ILE 174 N 0.40 0.99 -0.06 -2.88 2.04 -0.71 0.60 117.51 117.89 1tfm h ILE 174 Ca -0.07 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1tfm h ILE 174 Cb 1.48 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1tfm h ILE 174 CO 0.16 0.17 -0.35 0.78 0.00 0.00 0.00 178.15 178.91 1tfm h ASN 175 N 0.91 -1.06 0.75 1.72 4.21 -0.63 -2.54 115.58 118.94 1tfm h ASN 175 Ca 0.39 0.14 0.00 0.00 1.21 0.00 0.00 56.30 58.04 1tfm h ASN 175 Cb 0.26 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1tfm h ASN 175 CO -0.20 -0.39 -0.22 -1.54 -1.29 0.00 0.00 177.43 173.78 1tfm n SER 176 N -5.42 0.24 -0.00 5.81 3.41 -0.79 -4.92 113.62 111.95 1tfm n SER 176 Ca -0.04 0.11 -0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1tfm n SER 176 Cb 0.34 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1tfm n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tfm n GLY 177 N 1.49 0.39 3.94 5.00 0.00 0.21 -5.01 105.19 111.20 1tfm n GLY 177 Ca 0.07 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1tfm n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tfm s ALA 178 N -1.78 3.63 0.38 4.61 0.00 -1.04 -4.80 121.76 122.76 1tfm s ALA 178 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1tfm s ALA 178 Cb 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 1tfm s ALA 178 CO 0.00 -0.51 0.51 -1.12 0.00 0.00 0.00 175.76 174.63 1tfm s SER 179 N -4.25 5.75 -0.19 0.00 0.01 -1.26 -4.59 113.70 109.16 1tfm s SER 179 Ca 0.50 -0.34 -0.27 0.00 1.31 0.00 0.00 55.95 57.15 1tfm s SER 179 Cb -0.10 -0.91 0.09 0.00 0.21 0.00 0.00 66.02 65.31 1tfm s SER 179 CO 0.40 -0.60 0.81 0.72 0.41 0.00 0.00 173.24 174.98 1tfm s PHE 180 N -2.28 -0.63 0.34 2.43 -0.71 -0.66 -4.97 117.98 111.51 1tfm s PHE 180 Ca 0.50 1.35 -0.12 0.00 -1.04 0.00 0.00 56.93 57.62 1tfm s PHE 180 Cb -0.09 0.36 -0.08 0.00 -1.21 0.00 0.00 43.02 41.99 1tfm s PHE 180 CO 0.32 -0.41 0.72 -0.51 -1.34 0.00 0.00 175.22 174.00 1tfm s LEU 181 N -0.31 3.99 0.76 -1.99 1.02 -1.26 -1.01 118.68 119.87 1tfm s LEU 181 Ca -0.03 1.17 -0.13 0.00 0.02 0.00 0.00 54.13 55.17 1tfm s LEU 181 Cb -0.03 -4.00 0.06 0.00 0.02 0.00 0.00 46.19 42.24 1tfm s LEU 181 CO 0.02 -0.26 1.15 -2.84 0.02 0.00 0.00 176.35 174.44 1tfm s PRO 182 N -3.30 2.06 0.36 1.29 0.02 -1.26 -5.01 135.00 129.15 1tfm s PRO 182 Ca 0.52 1.51 0.08 0.00 0.02 0.00 0.00 61.00 63.13 1tfm s PRO 182 Cb -0.10 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1tfm s PRO 182 CO 0.23 -1.85 0.16 0.16 -0.33 0.00 0.00 177.00 175.37 1tfm s ASP 183 N -2.57 4.65 0.27 2.53 -4.77 -1.26 -4.90 116.67 110.62 1tfm s ASP 183 Ca 0.68 -0.83 -0.03 0.00 -3.30 0.00 0.00 52.55 49.08 1tfm s ASP 183 Cb -0.23 -0.67 0.58 0.00 -1.09 0.00 0.00 42.92 41.50 1tfm s ASP 183 CO 0.49 -0.35 1.62 0.58 0.70 0.00 0.00 175.17 178.21 1tfm h VAL 184 N 1.51 0.23 0.44 2.11 2.07 -1.97 0.11 116.25 120.76 1tfm h VAL 184 Ca -0.43 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1tfm h VAL 184 Cb 1.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1tfm h VAL 184 CO 0.64 0.02 -0.46 0.22 0.02 0.00 0.00 177.57 178.01 1tfm h TYR 185 N 0.09 -1.27 -0.53 1.57 3.20 -1.96 -0.22 116.97 117.86 1tfm h TYR 185 Ca 0.50 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.53 1tfm h TYR 185 Cb 0.94 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 1tfm h TYR 185 CO -0.43 -0.60 0.48 1.98 -1.64 0.00 0.00 178.16 177.95 1tfm h MET 186 N -0.90 0.00 0.12 1.82 4.05 -1.24 -0.07 114.93 118.72 1tfm h MET 186 Ca -0.05 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.15 1tfm h MET 186 Cb 0.78 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.61 1tfm h MET 186 CO -0.07 0.00 -0.91 -0.07 0.23 0.00 0.00 176.91 176.10 1tfm h LEU 187 N 0.00 0.59 -1.18 3.39 3.38 0.00 -2.87 115.31 118.63 1tfm h LEU 187 Ca 0.25 -0.89 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1tfm h LEU 187 Cb 1.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1tfm h LEU 187 CO -0.00 1.43 -0.34 -0.33 0.09 0.00 0.00 178.44 179.28 1tfm h GLU 188 N -0.16 0.12 0.21 1.13 5.08 0.47 -2.55 114.58 118.88 1tfm h GLU 188 Ca -0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1tfm h GLU 188 Cb 1.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1tfm h GLU 188 CO 0.17 0.45 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.45 1tfm h LEU 189 N 0.11 -0.29 -0.74 1.33 3.38 -1.04 -1.69 115.31 116.37 1tfm h LEU 189 Ca 0.01 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1tfm h LEU 189 Cb 0.66 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 1tfm h LEU 189 CO 0.05 -0.20 0.17 -0.33 0.09 0.00 0.00 178.44 178.22 1tfm h GLU 190 N -0.31 0.25 -0.67 1.13 5.08 -1.23 -1.63 114.58 117.20 1tfm h GLU 190 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1tfm h GLU 190 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1tfm h GLU 190 CO 0.03 0.17 0.00 0.25 -1.00 0.00 0.00 179.01 178.46 1tfm n THR 191 N -5.16 0.90 -0.04 1.13 -2.24 -1.01 -3.87 114.28 103.98 1tfm n THR 191 Ca 0.14 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1tfm n THR 191 Cb 0.46 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1tfm n THR 191 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1tfm n SER 192 N 1.47 0.74 -0.33 3.42 3.41 -0.67 -4.77 113.62 116.89 1tfm n SER 192 Ca 0.22 -0.88 0.17 0.00 -0.26 0.00 0.00 58.87 58.12 1tfm n SER 192 Cb 0.57 0.21 0.41 0.00 -0.26 0.00 0.00 64.21 65.13 1tfm n SER 192 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1tfm h TRP 193 N 0.00 0.88 -0.06 7.33 7.01 -1.47 0.30 115.95 129.94 1tfm h TRP 193 Ca 0.00 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.92 1tfm h TRP 193 Cb 0.02 -0.26 0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1tfm h TRP 193 CO 0.00 0.16 -0.37 0.78 -2.79 0.00 0.00 178.44 176.21 1tfm h GLY 194 N 0.59 0.39 0.42 2.65 0.00 -1.87 -0.92 103.07 104.32 1tfm h GLY 194 Ca 0.57 -0.57 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1tfm h GLY 194 CO -0.34 0.51 0.20 1.46 0.00 0.00 0.00 176.54 178.37 1tfm h GLN 195 N -0.15 0.36 -0.12 4.80 4.20 -1.68 -0.52 115.11 122.00 1tfm h GLN 195 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1tfm h GLN 195 Cb 1.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1tfm h GLN 195 CO 0.08 0.24 0.04 1.96 -0.67 0.00 0.00 178.83 180.48 1tfm h GLN 196 N 0.37 0.18 -0.75 1.46 4.20 -0.35 -1.52 115.11 118.70 1tfm h GLN 196 Ca 0.28 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.11 1tfm h GLN 196 Cb 0.34 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 1tfm h GLN 196 CO -0.29 0.30 0.23 0.77 -0.67 0.00 0.00 178.83 179.17 1tfm h SER 197 N 0.02 0.13 -0.54 1.46 0.02 -0.89 -1.75 113.55 112.01 1tfm h SER 197 Ca 0.04 0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1tfm h SER 197 Cb 0.19 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1tfm h SER 197 CO -0.00 0.01 -0.11 0.74 -1.14 0.00 0.00 176.83 176.33 1tfm h THR 198 N 0.34 1.27 -0.10 -2.27 2.02 -0.59 -2.15 112.91 111.42 1tfm h THR 198 Ca 0.42 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 1tfm h THR 198 Cb 0.69 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1tfm h THR 198 CO -0.47 0.45 -0.32 1.56 0.37 0.00 0.00 175.52 177.11 1tfm h GLN 199 N 0.90 0.39 -0.16 6.66 1.08 -0.64 -2.36 115.11 120.99 1tfm h GLN 199 Ca 0.14 -0.29 0.05 0.00 -1.45 0.00 0.00 58.65 57.10 1tfm h GLN 199 Cb 0.69 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.11 1tfm h GLN 199 CO 0.05 0.91 -0.17 0.28 -0.95 0.00 0.00 178.83 178.95 1tfm h VAL 200 N -0.05 0.54 0.00 -0.54 2.07 -1.24 0.64 116.25 117.66 1tfm h VAL 200 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1tfm h VAL 200 Cb 0.94 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1tfm h VAL 200 CO 0.07 0.00 -0.30 1.56 0.02 0.00 0.00 177.57 178.92 1tfm h GLN 201 N -0.20 0.00 -0.02 1.57 4.20 -1.47 -0.06 115.11 119.13 1tfm h GLN 201 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1tfm h GLN 201 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1tfm h GLN 201 CO -0.28 0.30 -0.23 1.04 -0.67 0.00 0.00 178.83 178.98 1tfm n GLN 202 N -3.75 1.67 -1.74 1.46 6.02 -0.82 -4.94 117.38 115.29 1tfm n GLN 202 Ca -0.01 -1.34 -0.41 0.00 -0.01 0.00 0.00 57.00 55.22 1tfm n GLN 202 Cb 0.40 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.19 1tfm n GLN 202 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1tfm n SER 203 N 0.51 3.18 0.00 1.08 3.41 0.22 -4.73 113.62 117.29 1tfm n SER 203 Ca 0.12 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1tfm n SER 203 Cb 0.51 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1tfm n SER 203 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tfm n THR 204 N 0.08 0.00 -0.89 6.66 -2.24 -1.12 -4.42 114.28 112.35 1tfm n THR 204 Ca 0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1tfm n THR 204 Cb 0.39 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.37 1tfm n THR 204 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tfm n GLU 205 N 0.00 1.72 0.00 -0.78 1.02 -1.26 -4.43 120.64 116.91 1tfm n GLU 205 Ca 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1tfm n GLU 205 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1tfm n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tfm n GLY 206 N 1.80 0.25 3.58 0.62 0.00 -1.26 -5.01 105.19 105.16 1tfm n GLY 206 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 1tfm n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tfm s VAL 207 N -2.00 5.21 0.59 1.61 1.01 -1.26 -0.40 120.40 125.16 1tfm s VAL 207 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1tfm s VAL 207 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1tfm s VAL 207 CO 0.00 0.08 1.26 0.49 0.00 0.00 0.00 175.10 176.93 1tfm n PHE 208 N 5.27 1.91 0.02 5.22 3.01 -0.85 -2.79 117.46 129.25 1tfm n PHE 208 Ca -0.10 0.43 0.05 0.00 1.01 0.00 0.00 57.45 58.84 1tfm n PHE 208 Cb 0.50 -2.29 -0.10 0.00 -0.01 0.00 0.00 39.48 37.58 1tfm n PHE 208 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tfm n ASN 209 N -1.24 0.44 -3.60 4.37 3.02 -1.26 -4.59 115.26 112.41 1tfm n ASN 209 Ca 0.13 0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 1tfm n ASN 209 Cb 0.46 0.97 -0.13 0.00 -0.61 0.00 0.00 39.78 40.47 1tfm n ASN 209 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1tfm s ASN 210 N -5.21 3.45 0.08 6.41 0.01 -1.26 -5.12 114.94 113.29 1tfm s ASN 210 Ca -0.05 -2.11 -0.37 0.00 -0.71 0.00 0.00 52.86 49.62 1tfm s ASN 210 Cb 0.10 -0.67 -0.17 0.00 0.41 0.00 0.00 41.25 40.91 1tfm s ASN 210 CO 0.84 -0.33 1.25 -2.65 -1.51 0.00 0.00 177.10 174.70 1tfm n PRO 211 N 4.19 0.87 -2.94 -0.60 -0.02 -1.26 -4.96 135.00 130.28 1tfm n PRO 211 Ca 0.06 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 1tfm n PRO 211 Cb 0.38 -1.90 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1tfm n PRO 211 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1tfm s ILE 212 N 0.29 4.53 -0.09 4.25 -1.09 -0.74 -4.90 121.20 123.46 1tfm s ILE 212 Ca 0.85 1.74 0.04 0.00 -2.23 0.00 0.00 60.65 61.04 1tfm s ILE 212 Cb -1.02 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 35.69 1tfm s ILE 212 CO 0.50 0.42 -0.21 0.00 -1.23 0.00 0.00 174.94 174.42 1tfm s ARG 213 N -0.51 2.93 0.10 2.79 1.70 -1.26 0.13 118.95 124.83 1tfm s ARG 213 Ca 0.39 -0.83 0.10 0.00 -0.47 0.00 0.00 55.73 54.92 1tfm s ARG 213 Cb -0.22 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.78 1tfm s ARG 213 CO 0.26 0.29 -0.23 -0.51 -1.08 0.00 0.00 175.30 174.02 1tfm s LEU 214 N 0.10 2.43 0.12 -1.89 1.43 -0.02 -4.97 118.68 115.88 1tfm s LEU 214 Ca -0.10 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1tfm s LEU 214 Cb -0.16 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1tfm s LEU 214 CO 0.06 0.21 0.29 0.00 0.23 0.00 0.00 176.35 177.13 1tfm s ALA 215 N -1.01 3.94 -0.01 4.21 0.00 -1.26 -1.38 121.76 126.24 1tfm s ALA 215 Ca 0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1tfm s ALA 215 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1tfm s ALA 215 CO 0.06 0.66 0.03 0.42 0.00 0.00 0.00 175.76 176.94 1tfm s ILE 216 N -1.65 0.02 0.00 0.00 1.09 0.76 -4.31 121.20 117.11 1tfm s ILE 216 Ca 0.36 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.78 1tfm s ILE 216 Cb -0.12 -0.09 0.00 0.00 -1.06 0.00 0.00 42.46 41.19 1tfm s ILE 216 CO 0.28 -0.07 0.00 -2.65 -0.10 0.00 0.00 174.94 172.39 1tfm n PRO 217 N 2.83 0.00 -3.09 2.79 -0.02 -1.26 -0.87 135.00 135.38 1tfm n PRO 217 Ca -0.14 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.20 1tfm n PRO 217 Cb 0.59 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.13 1tfm n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tfm n GLY 218 N -0.27 -0.06 3.62 -1.23 0.00 -1.26 -5.07 105.19 100.92 1tfm n GLY 218 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1tfm n GLY 218 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tfm s ASN 219 N -3.53 -0.15 0.12 1.61 3.84 -0.05 -5.18 114.94 111.60 1tfm s ASN 219 Ca 0.21 0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.43 1tfm s ASN 219 Cb -0.09 0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.74 1tfm s ASN 219 CO 0.48 -0.15 0.00 2.22 -2.79 0.00 0.00 177.10 176.86 1tfm n PHE 220 N 0.51 -2.92 -3.15 0.43 -1.74 -1.26 -0.17 117.46 109.15 1tfm n PHE 220 Ca -0.03 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.92 1tfm n PHE 220 Cb 0.58 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.58 1tfm n PHE 220 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1tfm s VAL 221 N 0.81 -0.06 -0.17 1.97 1.01 -0.48 -4.45 120.40 119.03 1tfm s VAL 221 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1tfm s VAL 221 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1tfm s VAL 221 CO 0.00 0.00 0.10 -0.89 0.00 0.00 0.00 175.10 174.31 1tfm s THR 222 N 2.99 5.14 -0.45 3.92 2.01 -1.26 -0.84 115.64 127.15 1tfm s THR 222 Ca 0.13 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 1tfm s THR 222 Cb -0.04 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1tfm s THR 222 CO -0.15 0.49 0.36 -0.76 -0.69 0.00 0.00 174.62 173.86 1tfm s LEU 223 N 0.02 5.43 0.00 4.42 1.43 0.35 -4.90 118.68 125.43 1tfm s LEU 223 Ca 0.08 -1.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1tfm s LEU 223 Cb -0.12 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1tfm s LEU 223 CO 0.00 -0.58 0.38 0.35 0.23 0.00 0.00 176.35 176.73 1tfm n THR 224 N 5.17 0.00 -3.62 5.49 -2.24 -1.26 -1.78 114.28 116.03 1tfm n THR 224 Ca -0.12 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1tfm n THR 224 Cb 0.45 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1tfm n THR 224 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1tfm s ASN 225 N -1.26 -0.31 0.52 3.42 2.47 -1.26 -2.00 114.94 116.52 1tfm s ASN 225 Ca 0.04 -0.09 0.23 0.00 0.42 0.00 0.00 52.86 53.45 1tfm s ASN 225 Cb 0.05 0.47 1.38 0.00 -1.45 0.00 0.00 41.25 41.70 1tfm s ASN 225 CO 0.19 -0.76 2.10 0.58 -3.72 0.00 0.00 177.10 175.49 1tfm h VAL 226 N 2.66 0.78 0.00 -5.21 2.07 -1.11 -0.11 116.25 115.33 1tfm h VAL 226 Ca -0.32 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1tfm h VAL 226 Cb 1.23 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1tfm h VAL 226 CO 0.44 0.09 0.00 0.54 0.02 0.00 0.00 177.57 178.66 1tfm n ARG 227 N -4.01 0.14 0.14 1.57 1.74 -1.26 -1.12 116.66 113.86 1tfm n ARG 227 Ca -0.02 0.47 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 1tfm n ARG 227 Cb 0.18 -1.82 0.15 0.00 -1.02 0.00 0.00 32.46 29.96 1tfm n ARG 227 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1tfm h ASP 228 N 0.00 0.00 0.00 0.55 3.32 -1.41 -3.33 116.42 115.56 1tfm h ASP 228 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1tfm h ASP 228 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1tfm h ASP 228 CO 0.00 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 1tfm n VAL 229 N -2.70 0.00 -0.25 -1.35 0.24 -0.28 -4.82 118.33 109.17 1tfm n VAL 229 Ca 0.03 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.82 1tfm n VAL 229 Cb 0.51 1.10 0.05 0.00 -1.47 0.00 0.00 33.84 34.02 1tfm n VAL 229 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1tfm h ILE 230 N 0.10 1.26 0.00 1.34 6.09 -1.50 0.16 117.51 124.96 1tfm h ILE 230 Ca 0.00 -0.89 -0.06 0.00 -1.37 0.00 0.00 64.86 62.54 1tfm h ILE 230 Cb 0.05 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 1tfm h ILE 230 CO 0.00 0.35 -0.27 0.00 -3.07 0.00 0.00 178.15 175.16 1tfm h ALA 231 N 1.10 1.07 0.00 0.18 0.00 -1.87 -3.39 119.26 116.34 1tfm h ALA 231 Ca 0.23 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1tfm h ALA 231 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1tfm h ALA 231 CO -0.01 0.33 -1.90 -1.13 0.00 0.00 0.00 179.25 176.55 1tfm n SER 232 N -3.51 1.37 -4.57 0.00 3.41 -0.59 -4.76 113.62 104.98 1tfm n SER 232 Ca -0.00 0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 58.45 1tfm n SER 232 Cb 0.43 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1tfm n SER 232 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1tfm s LEU 233 N -7.10 3.38 0.23 1.04 2.96 0.47 -1.36 118.68 118.30 1tfm s LEU 233 Ca -0.26 0.86 0.25 0.00 -0.22 0.00 0.00 54.13 54.76 1tfm s LEU 233 Cb 0.09 -2.85 0.51 0.00 0.50 0.00 0.00 46.19 44.44 1tfm s LEU 233 CO 0.33 -2.29 1.54 0.00 -1.32 0.00 0.00 176.35 174.61 1tfm h ALA 234 N 15.48 0.83 0.00 5.97 0.00 0.07 -3.46 119.26 138.15 1tfm h ALA 234 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1tfm h ALA 234 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1tfm h ALA 234 CO 1.14 0.00 0.00 1.51 0.00 0.00 0.00 179.25 181.90 1tfm n ILE 235 N -2.42 0.00 -4.17 0.00 0.00 -1.25 -4.61 119.36 106.91 1tfm n ILE 235 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 62.75 62.49 1tfm n ILE 235 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 39.64 40.02 1tfm n ILE 235 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1tfm s MET 236 N 0.00 2.57 0.38 9.51 -1.94 -0.36 -4.78 119.30 124.68 1tfm s MET 236 Ca 0.00 -0.80 -0.26 0.00 -1.71 0.00 0.00 55.69 52.92 1tfm s MET 236 Cb 0.00 -2.55 -0.11 0.00 2.01 0.00 0.00 34.83 34.17 1tfm s MET 236 CO 0.00 0.55 1.12 -0.11 -0.01 0.00 0.00 175.02 176.57 1tfm n LEU 237 N 0.73 2.92 -4.71 -0.03 7.94 -1.26 -2.27 117.00 120.32 1tfm n LEU 237 Ca -0.12 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.48 1tfm n LEU 237 Cb 0.52 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1tfm n LEU 237 CO 0.38 -1.11 0.83 0.12 -1.11 0.00 0.00 177.39 176.50 1tfm s PHE 238 N -1.18 3.50 0.00 1.96 2.19 -1.26 -4.86 117.98 118.32 1tfm s PHE 238 Ca 0.60 1.41 0.00 0.00 0.33 0.00 0.00 56.93 59.27 1tfm s PHE 238 Cb -0.58 -3.34 0.00 0.00 -1.31 0.00 0.00 43.02 37.79 1tfm s PHE 238 CO 0.59 -0.94 0.00 0.28 1.83 0.00 0.00 175.22 176.98 1tfm n VAL 239 N 3.93 0.00 0.00 3.12 0.31 -1.26 -4.86 118.33 119.56 1tfm n VAL 239 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1tfm n VAL 239 Cb 0.48 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1tfm n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51