#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cm1 s SER 3 N 0.00 5.05 0.54 6.43 1.04 -1.26 -4.95 113.70 120.56 3cm1 s SER 3 Ca 0.00 1.56 0.23 0.00 0.48 0.00 0.00 55.95 58.21 3cm1 s SER 3 Cb 0.00 -2.38 1.43 0.00 0.10 0.00 0.00 66.02 65.17 3cm1 s SER 3 CO 0.00 -1.65 2.09 -1.28 0.98 0.00 0.00 173.24 173.39 3cm1 h SER 4 N -0.86 0.00 -0.03 7.02 0.87 -2.01 -2.87 113.55 115.67 3cm1 h SER 4 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3cm1 h SER 4 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3cm1 h SER 4 CO 0.57 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.48 3cm1 n GLY 5 N -1.53 -0.11 3.75 5.77 0.00 -1.26 -4.19 105.19 107.62 3cm1 n GLY 5 Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3cm1 n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cm1 s THR 6 N -1.98 3.57 -0.04 2.61 2.01 -1.09 -4.89 115.64 115.83 3cm1 s THR 6 Ca 0.39 1.46 -0.16 0.00 0.31 0.00 0.00 61.69 63.69 3cm1 s THR 6 Cb 0.21 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.81 3cm1 s THR 6 CO 0.33 0.30 0.36 -0.55 -0.69 0.00 0.00 174.62 174.37 3cm1 s SER 7 N -0.47 -0.28 0.04 3.53 0.15 -1.26 -1.28 113.70 114.13 3cm1 s SER 7 Ca 0.47 0.27 0.02 0.00 0.70 0.00 0.00 55.95 57.42 3cm1 s SER 7 Cb -0.32 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 3cm1 s SER 7 CO 0.39 -0.41 -0.08 0.27 1.20 0.00 0.00 173.24 174.61 3cm1 s ILE 8 N -1.05 0.57 0.02 6.45 -4.36 0.12 -5.00 121.20 117.94 3cm1 s ILE 8 Ca -0.11 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 3cm1 s ILE 8 Cb -0.04 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 43.02 3cm1 s ILE 8 CO 0.04 -0.38 -0.03 -0.89 0.24 0.00 0.00 174.94 173.93 3cm1 s THR 9 N -1.38 0.13 0.26 8.37 2.01 -1.26 -1.03 115.64 122.73 3cm1 s THR 9 Ca -0.10 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 3cm1 s THR 9 Cb -0.10 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 3cm1 s THR 9 CO 0.00 -0.44 0.48 0.00 -0.69 0.00 0.00 174.62 173.98 3cm1 s GLU 11 N -3.89 2.30 -0.02 0.00 2.02 -1.26 -0.75 118.70 117.10 3cm1 s GLU 11 Ca 0.23 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.41 3cm1 s GLU 11 Cb -0.01 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.98 3cm1 s GLU 11 CO 0.10 0.59 -0.03 0.08 0.02 0.00 0.00 175.26 176.01 3cm1 s VAL 12 N -0.75 0.36 0.17 2.63 1.01 0.07 -4.97 120.40 118.91 3cm1 s VAL 12 Ca 0.12 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3cm1 s VAL 12 Cb -0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 3cm1 s VAL 12 CO 0.01 0.14 1.18 -0.83 0.00 0.00 0.00 175.10 175.61 3cm1 s GLY 13 N 0.38 2.67 0.18 4.51 0.00 -1.26 -0.92 107.32 112.88 3cm1 s GLY 13 Ca -0.04 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.61 3cm1 s GLY 13 CO -0.00 1.84 0.03 1.08 0.00 0.00 0.00 173.10 176.05 3cm1 s LEU 14 N -0.11 1.92 -0.02 0.66 1.43 0.38 -4.57 118.68 118.37 3cm1 s LEU 14 Ca 0.53 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3cm1 s LEU 14 Cb -0.32 0.05 0.00 0.00 0.03 0.00 0.00 46.19 45.96 3cm1 s LEU 14 CO 0.35 -0.64 -0.09 0.00 0.23 0.00 0.00 176.35 176.21 3cm1 s GLN 15 N -3.97 0.87 -0.40 1.70 1.03 -0.58 -1.34 119.66 116.96 3cm1 s GLN 15 Ca 0.27 -0.29 -0.18 0.00 0.04 0.00 0.00 55.36 55.19 3cm1 s GLN 15 Cb 0.07 -0.82 0.01 0.00 0.03 0.00 0.00 33.01 32.30 3cm1 s GLN 15 CO 0.05 0.13 0.51 -1.17 -2.54 0.00 0.00 175.29 172.27 3cm1 s LEU 16 N 0.11 4.61 -0.16 2.60 2.96 -0.35 -1.12 118.68 127.31 3cm1 s LEU 16 Ca -0.02 -0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 3cm1 s LEU 16 Cb -0.07 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 3cm1 s LEU 16 CO 0.00 -0.60 0.57 0.27 -1.32 0.00 0.00 176.35 175.27 3cm1 s ILE 17 N 2.40 5.09 0.00 6.68 -4.36 -0.08 -2.72 121.20 128.20 3cm1 s ILE 17 Ca 0.17 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 3cm1 s ILE 17 Cb -0.16 -3.90 0.00 0.00 1.25 0.00 0.00 42.46 39.66 3cm1 s ILE 17 CO 0.15 0.20 0.00 -1.14 0.24 0.00 0.00 174.94 174.39 3cm1 n ARG 21 N 4.51 0.00 -3.69 0.37 0.63 -1.26 -4.42 116.66 112.80 3cm1 n ARG 21 Ca -0.04 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.75 3cm1 n ARG 21 Cb 0.51 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.34 3cm1 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cm1 s ALA 22 N -1.33 -1.07 0.29 5.13 0.00 -1.26 -5.14 121.76 118.38 3cm1 s ALA 22 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 3cm1 s ALA 22 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 3cm1 s ALA 22 CO 0.00 -0.29 1.45 -1.25 0.00 0.00 0.00 175.76 175.67 3cm1 s PRO 23 N -1.17 4.24 -0.20 0.00 0.04 -1.26 -4.97 135.00 131.68 3cm1 s PRO 23 Ca -0.12 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 3cm1 s PRO 23 Cb -0.04 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.44 3cm1 s PRO 23 CO 0.05 -0.43 -0.14 0.08 0.04 0.00 0.00 177.00 176.61 3cm1 s VAL 24 N -0.35 2.60 0.37 -0.36 1.01 -1.10 -4.95 120.40 117.62 3cm1 s VAL 24 Ca 0.57 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 3cm1 s VAL 24 Cb -0.43 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3cm1 s VAL 24 CO 0.48 0.49 1.02 -2.16 0.00 0.00 0.00 175.10 174.94 3cm1 s PRO 25 N 1.37 4.31 0.05 2.72 0.04 -1.26 -1.21 135.00 141.01 3cm1 s PRO 25 Ca 0.05 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 3cm1 s PRO 25 Cb -0.13 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.82 3cm1 s PRO 25 CO -0.09 -0.01 0.57 -0.48 0.04 0.00 0.00 177.00 177.03 3cm1 s LEU 26 N -2.42 -0.30 -0.15 -3.56 0.05 -0.45 -4.93 118.68 106.92 3cm1 s LEU 26 Ca 0.55 0.27 -0.04 0.00 0.05 0.00 0.00 54.13 54.96 3cm1 s LEU 26 Cb -0.21 2.31 -0.03 0.00 -2.05 0.00 0.00 46.19 46.20 3cm1 s LEU 26 CO 0.27 -0.74 -0.01 0.54 -0.55 0.00 0.00 176.35 175.86 3cm1 s VAL 27 N -2.40 4.17 -0.06 1.48 0.11 -1.26 -0.47 120.40 121.97 3cm1 s VAL 27 Ca -0.05 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3cm1 s VAL 27 Cb -0.01 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.99 3cm1 s VAL 27 CO -0.01 0.51 -0.08 0.00 -3.33 0.00 0.00 175.10 172.19 3cm1 s ALA 28 N 0.10 2.96 -0.35 1.54 0.00 -0.10 -4.41 121.76 121.49 3cm1 s ALA 28 Ca 0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3cm1 s ALA 28 Cb -0.13 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.80 3cm1 s ALA 28 CO 0.02 0.57 0.19 0.50 0.00 0.00 0.00 175.76 177.04 3cm1 s ARG 29 N -0.84 3.09 -0.07 0.00 3.52 0.12 -0.75 118.95 124.03 3cm1 s ARG 29 Ca 0.13 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 3cm1 s ARG 29 Cb -0.11 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 3cm1 s ARG 29 CO 0.02 -0.56 0.28 -0.51 -0.81 0.00 0.00 175.30 173.72 3cm1 s LEU 30 N 1.59 4.41 0.03 -0.88 1.43 0.07 -1.53 118.68 123.81 3cm1 s LEU 30 Ca 0.03 0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 53.74 3cm1 s LEU 30 Cb -0.18 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3cm1 s LEU 30 CO 0.07 0.34 0.22 1.51 0.23 0.00 0.00 176.35 178.71 3cm1 s ASP 31 N -0.89 -0.02 -0.02 2.29 1.47 -0.91 -0.94 116.67 117.65 3cm1 s ASP 31 Ca 0.19 -0.27 0.02 0.00 1.18 0.00 0.00 52.55 53.67 3cm1 s ASP 31 Cb -0.14 0.29 0.01 0.00 -0.34 0.00 0.00 42.92 42.73 3cm1 s ASP 31 CO 0.08 -0.53 -0.05 -0.47 0.68 0.00 0.00 175.17 174.88 3cm1 s TYR 32 N -2.25 0.60 -0.04 2.11 5.04 -0.20 -1.31 117.35 121.30 3cm1 s TYR 32 Ca -0.07 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 3cm1 s TYR 32 Cb -0.02 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.83 3cm1 s TYR 32 CO -0.02 -0.07 -0.13 0.45 -1.34 0.00 0.00 175.55 174.44 3cm1 s SER 33 N 0.24 1.73 0.57 4.32 0.15 -1.26 -0.71 113.70 118.74 3cm1 s SER 33 Ca -0.03 -0.28 0.28 0.00 0.70 0.00 0.00 55.95 56.62 3cm1 s SER 33 Cb -0.07 -0.52 1.69 0.00 -1.71 0.00 0.00 66.02 65.40 3cm1 s SER 33 CO -0.00 0.10 2.20 -0.37 1.20 0.00 0.00 173.24 176.37 3cm1 h VAL 34 N 5.42 0.57 0.00 4.45 -1.51 -1.47 0.03 116.25 123.74 3cm1 h VAL 34 Ca -0.33 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3cm1 h VAL 34 Cb 1.17 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3cm1 h VAL 34 CO 0.48 0.04 0.00 0.44 -1.23 0.00 0.00 177.57 177.30 3cm1 h ASP 35 N 0.00 0.00 -2.09 4.19 3.32 -1.81 -3.08 116.42 116.95 3cm1 h ASP 35 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3cm1 h ASP 35 Cb 0.09 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.24 3cm1 h ASP 35 CO 0.00 0.00 -0.98 -0.67 -1.72 0.00 0.00 179.24 175.87 3cm1 n ASP 36 N -2.30 1.85 0.19 6.45 -0.08 -0.00 -4.93 116.55 117.73 3cm1 n ASP 36 Ca 0.01 -3.14 0.14 0.00 -1.51 0.00 0.00 54.79 50.28 3cm1 n ASP 36 Cb 0.15 -0.62 0.65 0.00 2.34 0.00 0.00 41.12 43.64 3cm1 n ASP 36 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3cm1 h PRO 37 N 3.36 0.00 -0.01 -0.67 0.13 -1.57 -1.71 132.00 131.54 3cm1 h PRO 37 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3cm1 h PRO 37 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3cm1 h PRO 37 CO 0.60 0.00 -0.56 0.66 -0.23 0.00 0.00 178.00 178.47 3cm1 n TYR 38 N -2.46 0.00 -4.12 1.56 4.01 -1.26 -4.94 117.16 109.95 3cm1 n TYR 38 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 3cm1 n TYR 38 Cb 0.14 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 3cm1 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cm1 s ALA 39 N -2.67 3.48 -0.03 -0.72 0.00 -0.64 -0.04 121.76 121.13 3cm1 s ALA 39 Ca 0.16 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3cm1 s ALA 39 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3cm1 s ALA 39 CO 0.65 0.48 -0.10 0.42 0.00 0.00 0.00 175.76 177.20 3cm1 s ILE 40 N -1.78 0.90 0.09 0.00 1.01 0.26 -4.64 121.20 117.04 3cm1 s ILE 40 Ca 0.30 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3cm1 s ILE 40 Cb -0.10 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 3cm1 s ILE 40 CO 0.22 0.28 0.34 -0.13 0.00 0.00 0.00 174.94 175.66 3cm1 s ARG 41 N 0.27 3.63 -0.06 2.79 0.52 -0.43 -1.58 118.95 124.09 3cm1 s ARG 41 Ca -0.05 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 3cm1 s ARG 41 Cb -0.10 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.43 3cm1 s ARG 41 CO 0.01 0.55 -0.05 0.00 0.02 0.00 0.00 175.30 175.83 3cm1 s ALA 42 N -1.49 0.80 -0.02 2.13 0.00 0.16 -2.15 121.76 121.18 3cm1 s ALA 42 Ca 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3cm1 s ALA 42 Cb -0.13 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3cm1 s ALA 42 CO 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 175.76 175.83 3cm1 s ALA 43 N 1.07 0.62 0.31 0.00 0.00 -0.58 0.51 121.76 123.68 3cm1 s ALA 43 Ca -0.08 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 3cm1 s ALA 43 Cb -0.14 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3cm1 s ALA 43 CO -0.01 0.08 0.65 -0.59 0.00 0.00 0.00 175.76 175.89 3cm1 s PHE 44 N 0.33 0.17 0.08 0.00 -0.12 -1.01 0.11 117.98 117.53 3cm1 s PHE 44 Ca -0.04 -0.63 -0.15 0.00 -0.05 0.00 0.00 56.93 56.06 3cm1 s PHE 44 Cb -0.08 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3cm1 s PHE 44 CO -0.00 -1.25 0.34 -3.38 -0.05 0.00 0.00 175.22 170.88 3cm1 s HIS 45 N -3.43 -0.13 -0.08 3.49 -3.43 -1.26 -1.38 115.29 109.06 3cm1 s HIS 45 Ca 0.17 -0.09 -0.00 0.00 -0.80 0.00 0.00 55.06 54.35 3cm1 s HIS 45 Cb -0.04 0.15 0.02 0.00 -1.43 0.00 0.00 32.58 31.29 3cm1 s HIS 45 CO 0.10 -0.59 -0.06 0.14 -2.00 0.00 0.00 174.74 172.33 3cm1 s VAL 46 N -3.15 0.79 0.00 -5.38 -7.23 -1.26 -4.74 120.40 99.43 3cm1 s VAL 46 Ca -0.01 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 3cm1 s VAL 46 Cb 0.01 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 36.12 3cm1 s VAL 46 CO -0.07 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 3cm1 n GLY 47 N 4.69 1.37 2.17 2.32 0.00 -1.26 -4.74 105.19 109.73 3cm1 n GLY 47 Ca -0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 3cm1 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cm1 n ASP 49 N 3.58 -4.13 -4.65 1.61 3.85 -1.26 -5.04 116.55 110.51 3cm1 n ASP 49 Ca 0.00 1.38 -0.30 0.00 -0.71 0.00 0.00 54.79 55.15 3cm1 n ASP 49 Cb 0.00 -3.11 0.17 0.00 -1.35 0.00 0.00 41.12 36.83 3cm1 n ASP 49 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3cm1 s GLU 50 N -0.26 0.83 0.97 0.11 -6.30 -1.26 -4.89 118.70 107.89 3cm1 s GLU 50 Ca -0.00 1.31 -0.12 0.00 -2.50 0.00 0.00 54.97 53.66 3cm1 s GLU 50 Cb 0.00 -1.72 0.11 0.00 0.00 0.00 0.00 34.13 32.51 3cm1 s GLU 50 CO 0.01 -2.68 0.73 -2.30 0.02 0.00 0.00 175.26 171.03 3cm1 n PRO 51 N -4.25 -0.62 -3.79 4.30 -0.02 -1.26 -4.84 135.00 124.52 3cm1 n PRO 51 Ca 0.09 -0.13 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 3cm1 n PRO 51 Cb 0.53 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 3cm1 n PRO 51 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cm1 s VAL 52 N -2.49 -0.02 -0.20 -1.45 0.11 -0.48 -4.99 120.40 110.89 3cm1 s VAL 52 Ca 0.62 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.67 3cm1 s VAL 52 Cb -0.22 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 3cm1 s VAL 52 CO 0.63 0.03 0.03 -0.70 -3.33 0.00 0.00 175.10 171.75 3cm1 s GLU 53 N 0.49 3.72 0.01 1.54 2.12 -1.26 -2.40 118.70 122.92 3cm1 s GLU 53 Ca -0.03 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.84 3cm1 s GLU 53 Cb -0.05 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3cm1 s GLU 53 CO -0.02 0.06 0.04 -1.58 -0.54 0.00 0.00 175.26 173.22 3cm1 s TRP 54 N 0.90 3.17 -0.09 5.30 0.51 0.18 -4.95 118.94 123.97 3cm1 s TRP 54 Ca 0.02 0.13 0.01 0.00 -2.12 0.00 0.00 56.10 54.14 3cm1 s TRP 54 Cb -0.14 -1.69 0.02 0.00 -0.81 0.00 0.00 33.47 30.85 3cm1 s TRP 54 CO 0.02 0.51 -0.12 0.42 -0.51 0.00 0.00 176.95 177.27 3cm1 s ILE 55 N -1.18 1.19 0.18 2.03 1.01 -1.26 0.36 121.20 123.54 3cm1 s ILE 55 Ca 0.22 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3cm1 s ILE 55 Cb -0.12 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3cm1 s ILE 55 CO 0.13 0.38 0.17 0.72 0.00 0.00 0.00 174.94 176.35 3cm1 s PHE 56 N 1.01 0.88 0.17 3.97 -0.12 -0.62 -4.98 117.98 118.30 3cm1 s PHE 56 Ca -0.08 -1.18 -0.32 0.00 -0.05 0.00 0.00 56.93 55.31 3cm1 s PHE 56 Cb -0.15 -0.38 -0.11 0.00 -0.63 0.00 0.00 43.02 41.76 3cm1 s PHE 56 CO -0.01 -0.66 1.73 0.00 -0.05 0.00 0.00 175.22 176.23 3cm1 s ALA 57 N -4.09 3.84 0.20 1.99 0.00 -1.26 -0.57 121.76 121.87 3cm1 s ALA 57 Ca 0.30 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.62 3cm1 s ALA 57 Cb 0.06 -3.71 0.23 0.00 0.00 0.00 0.00 23.12 19.70 3cm1 s ALA 57 CO 0.07 -1.01 1.68 -0.09 0.00 0.00 0.00 175.76 176.42 3cm1 h ARG 58 N 7.48 0.14 0.00 0.00 2.43 -0.72 -2.19 114.38 121.52 3cm1 h ARG 58 Ca -0.44 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3cm1 h ARG 58 Cb 1.21 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3cm1 h ARG 58 CO 0.95 0.09 -0.01 1.05 -1.51 0.00 0.00 179.97 180.54 3cm1 h GLU 59 N 0.15 0.00 -0.42 0.20 -0.00 -1.91 -1.34 114.58 111.26 3cm1 h GLU 59 Ca 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.53 3cm1 h GLU 59 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.15 3cm1 h GLU 59 CO -0.43 0.01 -0.15 1.25 -0.00 0.00 0.00 179.01 179.69 3cm1 h LEU 60 N 0.00 0.78 -0.04 3.06 5.85 -1.77 -1.01 115.31 122.18 3cm1 h LEU 60 Ca -0.00 -0.25 -0.26 0.00 0.84 0.00 0.00 57.88 58.21 3cm1 h LEU 60 Cb 0.02 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 40.86 3cm1 h LEU 60 CO 0.00 0.94 -0.98 0.25 -0.34 0.00 0.00 178.44 178.31 3cm1 h LEU 61 N 0.70 0.93 -0.81 2.25 5.85 -1.30 -0.41 115.31 122.51 3cm1 h LEU 61 Ca 0.11 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3cm1 h LEU 61 Cb 0.64 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3cm1 h LEU 61 CO 0.05 1.51 0.52 0.74 -0.34 0.00 0.00 178.44 180.92 3cm1 h THR 62 N 0.43 1.22 -0.11 1.05 2.02 -1.30 -2.43 112.91 113.79 3cm1 h THR 62 Ca -0.11 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 3cm1 h THR 62 Cb 1.63 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3cm1 h THR 62 CO 0.19 0.22 -0.45 0.58 0.37 0.00 0.00 175.52 176.43 3cm1 h VAL 63 N 1.11 1.37 -0.01 3.16 2.07 -1.19 -3.29 116.25 119.48 3cm1 h VAL 63 Ca 0.30 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3cm1 h VAL 63 Cb -0.10 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3cm1 h VAL 63 CO -0.06 0.53 0.01 1.23 0.02 0.00 0.00 177.57 179.30 3cm1 h GLY 64 N 0.09 0.00 2.00 2.17 0.00 -0.88 0.98 103.07 107.43 3cm1 h GLY 64 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 3cm1 h GLY 64 CO 0.09 0.00 -0.44 -2.22 0.00 0.00 0.00 176.54 173.97 3cm1 h ILE 65 N 0.00 1.18 0.07 2.60 2.04 -1.50 -2.78 117.51 119.11 3cm1 h ILE 65 Ca 0.00 -1.60 -0.36 0.00 1.00 0.00 0.00 64.86 63.91 3cm1 h ILE 65 Cb 0.02 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3cm1 h ILE 65 CO -0.00 0.44 -2.02 -0.38 0.00 0.00 0.00 178.15 176.18 3cm1 n ILE 66 N -3.81 1.66 -3.62 -0.67 2.08 -0.05 -4.63 119.36 110.33 3cm1 n ILE 66 Ca -0.01 -0.52 -0.11 0.00 0.56 0.00 0.00 62.75 62.68 3cm1 n ILE 66 Cb 0.50 -1.73 -0.04 0.00 -0.75 0.00 0.00 39.64 37.62 3cm1 n ILE 66 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3cm1 s ARG 67 N -2.52 1.20 0.17 0.38 1.70 0.14 -4.84 118.95 115.19 3cm1 s ARG 67 Ca -0.27 -0.70 -0.33 0.00 -0.47 0.00 0.00 55.73 53.96 3cm1 s ARG 67 Cb 0.08 0.51 -0.13 0.00 -0.57 0.00 0.00 34.95 34.84 3cm1 s ARG 67 CO 0.68 -0.50 1.66 -1.91 -1.08 0.00 0.00 175.30 174.16 3cm1 n GLU 68 N -0.29 2.44 -3.99 3.89 2.13 -1.26 -3.80 120.64 119.76 3cm1 n GLU 68 Ca -0.15 0.88 -0.12 0.00 0.66 0.00 0.00 57.16 58.43 3cm1 n GLU 68 Cb 0.64 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.64 3cm1 n GLU 68 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3cm1 s THR 69 N 1.20 0.00 -0.16 6.31 -1.32 -0.08 -4.98 115.64 116.60 3cm1 s THR 69 Ca 0.78 -1.38 -0.35 0.00 -1.21 0.00 0.00 61.69 59.53 3cm1 s THR 69 Cb -0.60 -2.70 0.14 0.00 -1.51 0.00 0.00 72.50 67.83 3cm1 s THR 69 CO 0.36 0.00 1.33 -0.83 -2.21 0.00 0.00 174.62 173.27 3cm1 s GLY 70 N -3.17 -0.34 -0.19 6.08 0.00 -1.26 -1.40 107.32 107.04 3cm1 s GLY 70 Ca 0.25 1.36 -0.04 0.00 0.00 0.00 0.00 44.72 46.29 3cm1 s GLY 70 CO 0.17 0.40 0.31 1.85 0.00 0.00 0.00 173.10 175.82 3cm1 s GLU 71 N -2.21 0.24 6.58 2.90 2.12 -0.83 -5.01 118.70 122.49 3cm1 s GLU 71 Ca 0.12 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.06 3cm1 s GLU 71 Cb 0.02 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.03 3cm1 s GLU 71 CO -0.04 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 3cm1 n GLY 72 N 5.35 2.20 0.07 -1.50 0.00 -1.26 -2.16 105.19 107.90 3cm1 n GLY 72 Ca -0.06 0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 3cm1 n GLY 72 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cm1 h ASP 73 N 0.00 0.02 -3.86 1.61 3.32 -1.96 -3.46 116.42 112.09 3cm1 h ASP 73 Ca 0.00 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.52 3cm1 h ASP 73 Cb 0.00 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3cm1 h ASP 73 CO 0.00 1.03 0.47 -0.69 -1.72 0.00 0.00 179.24 178.33 3cm1 s VAL 74 N -2.65 3.47 -0.06 -1.35 1.01 -0.92 -3.52 120.40 116.38 3cm1 s VAL 74 Ca -0.03 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 3cm1 s VAL 74 Cb 0.09 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.69 3cm1 s VAL 74 CO 0.82 0.23 0.12 -0.13 0.00 0.00 0.00 175.10 176.15 3cm1 s ARG 75 N -1.82 -0.01 -0.04 2.72 1.81 -1.24 -1.96 118.95 118.40 3cm1 s ARG 75 Ca 0.49 0.47 0.06 0.00 -1.72 0.00 0.00 55.73 55.04 3cm1 s ARG 75 Cb -0.30 -0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 33.83 3cm1 s ARG 75 CO 0.38 -0.31 -0.25 0.42 -0.68 0.00 0.00 175.30 174.87 3cm1 s ILE 76 N 2.17 1.99 -0.05 1.52 1.09 -0.50 -0.98 121.20 126.46 3cm1 s ILE 76 Ca 0.03 -1.05 -0.22 0.00 -1.10 0.00 0.00 60.65 58.31 3cm1 s ILE 76 Cb -0.12 -1.68 0.05 0.00 -1.06 0.00 0.00 42.46 39.65 3cm1 s ILE 76 CO -0.05 0.56 0.49 -1.66 -0.10 0.00 0.00 174.94 174.18 3cm1 s TRP 77 N -0.28 -0.43 0.68 3.97 -2.14 -0.09 -0.90 118.94 119.75 3cm1 s TRP 77 Ca 0.00 0.75 -0.10 0.00 2.66 0.00 0.00 56.10 59.42 3cm1 s TRP 77 Cb -0.12 0.24 0.02 0.00 -3.10 0.00 0.00 33.47 30.50 3cm1 s TRP 77 CO 0.02 -0.47 1.05 -1.25 -2.66 0.00 0.00 176.95 173.64 3cm1 s PRO 78 N -1.10 2.81 0.26 3.25 0.04 -1.05 -0.46 135.00 138.74 3cm1 s PRO 78 Ca -0.11 0.31 -0.22 0.00 0.04 0.00 0.00 61.00 61.02 3cm1 s PRO 78 Cb -0.03 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3cm1 s PRO 78 CO 0.06 -0.99 0.71 -1.54 0.04 0.00 0.00 177.00 175.29 3cm1 s SER 79 N -4.36 -0.30 0.11 6.66 1.04 -1.26 -4.87 113.70 110.72 3cm1 s SER 79 Ca 0.57 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 56.56 3cm1 s SER 79 Cb -0.11 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3cm1 s SER 79 CO 0.50 -1.27 -0.06 -1.10 0.98 0.00 0.00 173.24 172.29 3cm1 s GLN 80 N -3.86 2.26 0.00 4.02 -1.52 -1.26 -4.63 119.66 114.68 3cm1 s GLN 80 Ca 0.10 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 3cm1 s GLN 80 Cb -0.05 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 3cm1 s GLN 80 CO 0.04 0.50 0.00 -0.25 -0.25 0.00 0.00 175.29 175.33 3cm1 n ASP 81 N 0.52 0.00 -1.05 5.90 10.43 -1.26 -5.02 116.55 126.07 3cm1 n ASP 81 Ca -0.12 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.24 3cm1 n ASP 81 Cb 0.53 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.49 3cm1 n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3cm1 n GLU 84 N -0.39 -2.90 -2.42 -1.24 0.28 -1.26 -5.32 120.64 107.39 3cm1 n GLU 84 Ca 0.00 2.10 -0.26 0.00 -0.16 0.00 0.00 57.16 58.84 3cm1 n GLU 84 Cb 0.00 -2.30 0.03 0.00 1.43 0.00 0.00 31.44 30.60 3cm1 n GLU 84 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3cm1 s ARG 85 N -2.89 2.88 -0.26 3.44 1.81 -1.26 -5.03 118.95 117.63 3cm1 s ARG 85 Ca 0.00 -0.06 -0.23 0.00 -1.72 0.00 0.00 55.73 53.72 3cm1 s ARG 85 Cb 0.00 -2.28 0.07 0.00 -0.45 0.00 0.00 34.95 32.29 3cm1 s ARG 85 CO 0.00 -0.71 0.70 0.08 -0.68 0.00 0.00 175.30 174.69 3cm1 s VAL 87 N -2.98 -0.00 -0.11 3.52 1.01 0.53 -1.94 120.40 120.44 3cm1 s VAL 87 Ca 0.54 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3cm1 s VAL 87 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3cm1 s VAL 87 CO 0.45 0.00 -0.22 0.20 0.00 0.00 0.00 175.10 175.53 3cm1 s ASN 88 N 0.52 2.97 -0.05 3.32 0.01 0.39 -1.60 114.94 120.50 3cm1 s ASN 88 Ca -0.01 -0.55 0.07 0.00 -0.71 0.00 0.00 52.86 51.65 3cm1 s ASN 88 Cb -0.05 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 3cm1 s ASN 88 CO -0.02 0.12 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.81 3cm1 s ILE 89 N 0.54 2.04 -0.43 0.60 1.01 -0.61 -0.92 121.20 123.43 3cm1 s ILE 89 Ca -0.14 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.48 3cm1 s ILE 89 Cb -0.17 -1.72 0.17 0.00 0.01 0.00 0.00 42.46 40.75 3cm1 s ILE 89 CO 0.05 0.57 0.46 0.00 0.00 0.00 0.00 174.94 176.02 3cm1 s ALA 90 N -0.27 -0.09 0.65 9.38 0.00 -0.15 0.34 121.76 131.62 3cm1 s ALA 90 Ca -0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 3cm1 s ALA 90 Cb -0.13 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 3cm1 s ALA 90 CO 0.02 -2.10 1.16 -1.17 0.00 0.00 0.00 175.76 173.68 3cm1 s LEU 91 N 0.67 3.46 0.10 0.00 2.96 -1.26 -3.70 118.68 120.90 3cm1 s LEU 91 Ca 0.28 2.20 0.08 0.00 -0.22 0.00 0.00 54.13 56.47 3cm1 s LEU 91 Cb -0.03 -4.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.05 3cm1 s LEU 91 CO -0.11 -1.76 -0.21 -0.44 -1.32 0.00 0.00 176.35 172.51 3cm1 s SER 92 N -2.13 2.49 0.00 3.68 0.01 -1.23 -4.74 113.70 111.79 3cm1 s SER 92 Ca 0.72 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.31 3cm1 s SER 92 Cb -0.25 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3cm1 s SER 92 CO 0.39 0.06 0.00 -0.24 0.41 0.00 0.00 173.24 173.86 3cm1 n SER 93 N 1.17 0.00 -3.17 2.44 2.88 -1.26 -4.99 113.62 110.68 3cm1 n SER 93 Ca -0.19 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.37 3cm1 n SER 93 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 3cm1 n SER 93 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3cm1 s ARG 99 N -0.83 0.54 0.03 -1.46 0.52 -1.26 -5.33 118.95 111.16 3cm1 s ARG 99 Ca 0.00 0.93 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 3cm1 s ARG 99 Cb 0.00 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.85 3cm1 s ARG 99 CO 0.00 -0.65 0.03 -0.06 0.02 0.00 0.00 175.30 174.65 3cm1 s PHE 100 N 2.82 3.13 -0.10 -0.53 0.08 0.15 -0.90 117.98 122.64 3cm1 s PHE 100 Ca 0.19 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.33 3cm1 s PHE 100 Cb -0.15 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3cm1 s PHE 100 CO -0.21 0.50 -0.06 -1.58 -0.10 0.00 0.00 175.22 173.77 3cm1 s HIS 101 N -1.21 1.25 0.05 0.36 5.65 -0.28 -1.57 115.29 119.54 3cm1 s HIS 101 Ca 0.23 -0.56 -0.06 0.00 0.25 0.00 0.00 55.06 54.92 3cm1 s HIS 101 Cb -0.12 -1.09 -0.01 0.00 -1.18 0.00 0.00 32.58 30.18 3cm1 s HIS 101 CO 0.15 -0.43 0.11 0.00 -0.65 0.00 0.00 174.74 173.91 3cm1 s ALA 102 N 1.63 -0.05 0.48 1.58 0.00 -0.63 -1.53 121.76 123.24 3cm1 s ALA 102 Ca 0.02 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 3cm1 s ALA 102 Cb -0.13 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 3cm1 s ALA 102 CO -0.06 -0.38 1.13 -0.65 0.00 0.00 0.00 175.76 175.80 3cm1 s GLN 103 N -3.10 3.70 0.08 0.00 -0.21 -1.26 -0.34 119.66 118.52 3cm1 s GLN 103 Ca -0.01 1.65 -0.14 0.00 0.02 0.00 0.00 55.36 56.88 3cm1 s GLN 103 Cb 0.02 -2.28 -0.22 0.00 1.00 0.00 0.00 33.01 31.52 3cm1 s GLN 103 CO -0.07 -0.57 1.20 0.28 -2.12 0.00 0.00 175.29 174.01 3cm1 h VAL 104 N 1.69 1.28 -0.60 1.09 2.07 -1.77 -3.37 116.25 116.64 3cm1 h VAL 104 Ca -0.49 -2.20 0.09 0.00 0.82 0.00 0.00 66.70 64.91 3cm1 h VAL 104 Cb 1.24 2.34 -0.11 0.00 -1.52 0.00 0.00 31.29 33.24 3cm1 h VAL 104 CO 0.59 0.68 -0.44 0.00 0.02 0.00 0.00 177.57 178.42 3cm1 h ALA 105 N 0.42 -0.34 -0.64 1.67 0.00 -1.94 0.26 119.26 118.69 3cm1 h ALA 105 Ca -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3cm1 h ALA 105 Cb 1.65 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 20.40 3cm1 h ALA 105 CO 0.20 -0.83 0.25 -1.35 0.00 0.00 0.00 179.25 177.52 3cm1 h PRO 106 N -0.22 0.96 -0.31 0.00 0.11 -2.00 -0.63 132.00 129.90 3cm1 h PRO 106 Ca 0.18 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3cm1 h PRO 106 Cb 0.56 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3cm1 h PRO 106 CO -0.70 0.81 0.15 -0.07 -0.21 0.00 0.00 178.00 177.97 3cm1 h LEU 107 N 0.90 0.41 -0.20 2.35 3.38 -1.51 -1.96 115.31 118.67 3cm1 h LEU 107 Ca 0.21 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3cm1 h LEU 107 Cb 0.21 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3cm1 h LEU 107 CO -0.02 0.42 0.02 -1.28 0.09 0.00 0.00 178.44 177.67 3cm1 h SER 108 N 0.37 -0.04 -0.61 -0.43 0.87 -0.32 0.35 113.55 113.74 3cm1 h SER 108 Ca 0.11 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3cm1 h SER 108 Cb 0.12 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 3cm1 h SER 108 CO -0.01 0.01 0.37 -0.08 -0.53 0.00 0.00 176.83 176.58 3cm1 h GLU 109 N 0.09 0.69 -0.31 2.24 4.57 -0.97 0.13 114.58 121.02 3cm1 h GLU 109 Ca 0.09 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3cm1 h GLU 109 Cb 0.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3cm1 h GLU 109 CO -0.15 0.46 0.16 0.35 -1.18 0.00 0.00 179.01 178.66 3cm1 h PHE 110 N 0.71 0.44 -0.87 0.92 3.57 -0.96 -1.07 116.94 119.68 3cm1 h PHE 110 Ca 0.25 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3cm1 h PHE 110 Cb 0.04 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3cm1 h PHE 110 CO -0.06 0.37 0.56 -0.07 -2.23 0.00 0.00 178.31 176.88 3cm1 h LEU 111 N 0.38 0.94 -0.47 0.59 3.38 -0.45 -1.02 115.31 118.66 3cm1 h LEU 111 Ca 0.11 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3cm1 h LEU 111 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3cm1 h LEU 111 CO -0.02 0.65 0.24 -0.74 0.09 0.00 0.00 178.44 178.66 3cm1 h HIS 112 N 1.10 0.44 -0.96 1.13 2.76 -0.07 -0.47 115.15 119.07 3cm1 h HIS 112 Ca 0.34 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.58 3cm1 h HIS 112 Cb -0.02 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.75 3cm1 h HIS 112 CO -0.02 0.22 0.62 0.00 -1.30 0.00 0.00 177.93 177.46 3cm1 h ARG 113 N 0.47 1.13 -0.53 5.26 3.08 -0.59 -0.74 114.38 122.46 3cm1 h ARG 113 Ca 0.20 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3cm1 h ARG 113 Cb 0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3cm1 h ARG 113 CO -0.14 0.75 0.13 1.79 -1.07 0.00 0.00 179.97 181.43 3cm1 h THR 114 N 1.17 1.24 0.00 2.04 1.35 0.04 -2.38 112.91 116.37 3cm1 h THR 114 Ca 0.40 -0.85 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 3cm1 h THR 114 Cb 0.09 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3cm1 h THR 114 CO -0.15 0.31 -0.16 1.88 -0.25 0.00 0.00 175.52 177.15 3cm1 h TYR 115 N 0.73 0.00 -0.47 4.73 0.05 -0.44 0.15 116.97 121.73 3cm1 h TYR 115 Ca 0.17 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 3cm1 h TYR 115 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3cm1 h TYR 115 CO 0.02 0.16 -0.19 0.93 -1.05 0.00 0.00 178.16 178.03 3cm1 h GLU 116 N 0.00 0.92 -0.04 4.88 5.08 -0.67 -2.11 114.58 122.65 3cm1 h GLU 116 Ca -0.00 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 3cm1 h GLU 116 Cb 0.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3cm1 h GLU 116 CO 0.02 1.03 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.93 3cm1 h LEU 117 N 0.81 0.12 -7.01 1.33 3.38 -0.98 -3.42 115.31 109.54 3cm1 h LEU 117 Ca 0.11 -0.54 -0.57 0.00 0.09 0.00 0.00 57.88 56.96 3cm1 h LEU 117 Cb 0.74 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 41.05 3cm1 h LEU 117 CO 0.06 0.64 -0.77 -0.69 0.09 0.00 0.00 178.44 177.77 3cm1 s VAL 118 N -4.04 0.67 0.64 1.22 1.01 -0.03 -4.58 120.40 115.30 3cm1 s VAL 118 Ca -0.16 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.22 3cm1 s VAL 118 Cb 0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3cm1 s VAL 118 CO 0.70 -0.74 1.25 -2.65 0.00 0.00 0.00 175.10 173.66 3cm1 n PRO 119 N 4.71 1.11 -1.69 2.72 -0.02 -0.80 -4.19 135.00 136.83 3cm1 n PRO 119 Ca -0.00 0.43 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 3cm1 n PRO 119 Cb 0.41 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3cm1 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cm1 n ALA 120 N -1.87 2.13 -0.01 3.55 0.00 -1.26 -1.63 120.51 121.42 3cm1 n ALA 120 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3cm1 n ALA 120 Cb 0.48 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3cm1 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cm1 n GLY 121 N 3.93 0.26 0.51 0.00 0.00 -1.26 -4.93 105.19 103.70 3cm1 n GLY 121 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3cm1 n GLY 121 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cm1 n GLN 122 N -2.00 2.49 0.23 1.61 6.02 -0.65 -4.64 117.38 120.44 3cm1 n GLN 122 Ca 0.00 -2.44 0.07 0.00 -0.01 0.00 0.00 57.00 54.62 3cm1 n GLN 122 Cb 0.00 -1.53 0.57 0.00 1.02 0.00 0.00 30.24 30.30 3cm1 n GLN 122 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3cm1 h GLU 123 N 1.12 0.03 -1.00 -1.09 3.07 -1.92 -2.95 114.58 111.85 3cm1 h GLU 123 Ca 0.00 -0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 3cm1 h GLU 123 Cb 1.06 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.86 3cm1 h GLU 123 CO 0.09 0.10 0.62 0.77 -1.40 0.00 0.00 179.01 179.18 3cm1 h SER 124 N 0.03 0.79 -0.48 1.42 0.02 -1.97 -0.99 113.55 112.38 3cm1 h SER 124 Ca 0.01 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3cm1 h SER 124 Cb 0.13 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3cm1 h SER 124 CO 0.01 0.30 0.26 0.44 -1.14 0.00 0.00 176.83 176.70 3cm1 h ASP 125 N 0.78 0.63 0.98 3.07 3.32 -1.90 0.41 116.42 123.70 3cm1 h ASP 125 Ca 0.56 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 57.36 3cm1 h ASP 125 Cb 0.86 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3cm1 h ASP 125 CO -0.36 0.52 -0.99 1.88 -1.72 0.00 0.00 179.24 178.58 3cm1 h TYR 126 N 0.71 0.01 -0.22 4.55 0.05 -1.38 -2.24 116.97 118.45 3cm1 h TYR 126 Ca 0.18 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 3cm1 h TYR 126 Cb 0.05 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3cm1 h TYR 126 CO 0.00 0.99 -0.00 0.82 -1.05 0.00 0.00 178.16 178.92 3cm1 h ILE 127 N 0.00 1.26 -0.99 -2.88 1.08 -0.78 -2.11 117.51 113.08 3cm1 h ILE 127 Ca -0.01 -0.90 0.10 0.00 -0.39 0.00 0.00 64.86 63.66 3cm1 h ILE 127 Cb 1.75 1.41 -0.08 0.00 -3.07 0.00 0.00 36.82 36.83 3cm1 h ILE 127 CO 0.13 0.28 0.63 0.44 -0.69 0.00 0.00 178.15 178.93 3cm1 h ASP 128 N 0.16 0.94 -0.35 1.72 3.32 -0.84 0.10 116.42 121.47 3cm1 h ASP 128 Ca 0.06 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3cm1 h ASP 128 Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3cm1 h ASP 128 CO 0.01 0.53 0.04 0.40 -1.72 0.00 0.00 179.24 178.50 3cm1 h ILE 129 N 1.03 1.25 -0.78 0.35 2.04 -1.31 -0.46 117.51 119.63 3cm1 h ILE 129 Ca 0.47 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3cm1 h ILE 129 Cb 0.39 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3cm1 h ILE 129 CO -0.24 0.30 0.48 0.44 0.00 0.00 0.00 178.15 179.13 3cm1 h ASP 130 N 0.42 0.76 -0.63 1.72 3.32 -0.64 0.17 116.42 121.54 3cm1 h ASP 130 Ca 0.10 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3cm1 h ASP 130 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3cm1 h ASP 130 CO 0.01 0.50 0.13 0.00 -1.72 0.00 0.00 179.24 178.16 3cm1 h ALA 131 N 1.36 0.84 -0.44 3.45 0.00 -0.81 -2.70 119.26 120.97 3cm1 h ALA 131 Ca 0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3cm1 h ALA 131 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cm1 h ALA 131 CO -0.15 0.57 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 3cm1 h GLU 132 N 0.95 0.77 -0.12 0.00 5.08 -0.03 -1.86 114.58 119.36 3cm1 h GLU 132 Ca 0.20 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3cm1 h GLU 132 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3cm1 h GLU 132 CO 0.01 0.83 0.03 0.82 -1.00 0.00 0.00 179.01 179.70 3cm1 h ILE 133 N 0.70 1.19 -0.83 3.13 2.04 -0.93 -2.90 117.51 119.91 3cm1 h ILE 133 Ca 0.12 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.50 3cm1 h ILE 133 Cb 0.55 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3cm1 h ILE 133 CO 0.03 0.17 0.54 0.00 0.00 0.00 0.00 178.15 178.89 3cm1 h ALA 134 N 0.84 1.73 0.00 1.87 0.00 -1.24 -1.62 119.26 120.84 3cm1 h ALA 134 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3cm1 h ALA 134 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cm1 h ALA 134 CO -0.00 0.10 -0.14 0.93 0.00 0.00 0.00 179.25 180.13 3cm1 h GLU 135 N 0.77 0.00 -0.22 0.00 5.08 -1.14 -2.69 114.58 116.38 3cm1 h GLU 135 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3cm1 h GLU 135 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3cm1 h GLU 135 CO -0.15 0.14 0.00 0.72 -1.00 0.00 0.00 179.01 178.72 3cm1 n HIS 136 N -3.37 0.26 1.43 4.33 8.25 -0.64 -5.11 115.22 120.37 3cm1 n HIS 136 Ca -0.00 -0.15 0.11 0.00 -0.26 0.00 0.00 57.72 57.42 3cm1 n HIS 136 Cb 0.34 -0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.13 3cm1 n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26