#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 4.37 0.61 6.43 0.15 -1.26 -4.88 113.70 119.12 3cm1 s SER 3 Ca 0.00 2.58 0.32 0.00 0.70 0.00 0.00 55.95 59.56 3cm1 s SER 3 Cb 0.00 -2.61 1.84 0.00 -1.71 0.00 0.00 66.02 63.54 3cm1 s SER 3 CO 0.00 -2.16 2.17 -1.28 1.20 0.00 0.00 173.24 173.17 3cm1 h SER 4 N 0.24 0.00 0.47 5.45 0.87 -2.02 -2.57 113.55 115.99 3cm1 h SER 4 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3cm1 h SER 4 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3cm1 h SER 4 CO 0.52 0.00 -0.49 0.61 -0.53 0.00 0.00 176.83 176.94 3cm1 n GLY 5 N -1.31 -1.19 3.77 5.77 0.00 -1.26 -4.32 105.19 106.65 3cm1 n GLY 5 Ca -0.01 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.96 2.19 -0.07 2.61 2.01 -0.97 -4.86 115.64 113.59 3cm1 s THR 6 Ca 0.12 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 3cm1 s THR 6 Cb 0.18 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.64 3cm1 s THR 6 CO 0.69 0.02 0.59 -0.55 -0.69 0.00 0.00 174.62 174.68 3cm1 s SER 7 N -0.56 -0.56 0.07 3.53 0.15 -1.26 -1.72 113.70 113.35 3cm1 s SER 7 Ca 0.60 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.94 3cm1 s SER 7 Cb -0.42 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 3cm1 s SER 7 CO 0.55 -0.52 -0.10 0.27 1.20 0.00 0.00 173.24 174.63 3cm1 s ILE 8 N -1.01 0.85 0.01 6.45 -4.36 0.20 -5.00 121.20 118.34 3cm1 s ILE 8 Ca -0.10 -1.40 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 3cm1 s ILE 8 Cb -0.02 -1.07 -0.01 0.00 1.25 0.00 0.00 42.46 42.61 3cm1 s ILE 8 CO 0.07 -0.43 0.03 -0.89 0.24 0.00 0.00 174.94 173.96 3cm1 s THR 9 N -1.88 0.08 0.25 8.37 2.01 -1.26 -1.10 115.64 122.12 3cm1 s THR 9 Ca -0.01 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 3cm1 s THR 9 Cb -0.06 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 3cm1 s THR 9 CO 0.00 -0.38 0.43 0.00 -0.69 0.00 0.00 174.62 173.99 3cm1 s GLU 11 N -3.89 2.31 -0.02 0.00 2.02 -1.26 -0.76 118.70 117.09 3cm1 s GLU 11 Ca 0.26 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.44 3cm1 s GLU 11 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3cm1 s GLU 11 CO 0.11 0.57 -0.08 0.08 0.02 0.00 0.00 175.26 175.97 3cm1 s VAL 12 N -0.63 0.67 0.11 2.63 1.01 -0.06 -4.97 120.40 119.16 3cm1 s VAL 12 Ca 0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 3cm1 s VAL 12 Cb -0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 3cm1 s VAL 12 CO -0.00 0.21 1.17 -0.83 0.00 0.00 0.00 175.10 175.66 3cm1 s GLY 13 N 0.23 2.57 0.21 4.51 0.00 -1.26 -1.01 107.32 112.57 3cm1 s GLY 13 Ca -0.03 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.55 3cm1 s GLY 13 CO 0.00 1.91 0.08 1.08 0.00 0.00 0.00 173.10 176.16 3cm1 s LEU 14 N 0.46 1.66 -0.02 0.66 1.43 0.45 -4.57 118.68 118.76 3cm1 s LEU 14 Ca 0.55 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 3cm1 s LEU 14 Cb -0.30 0.11 -0.00 0.00 0.03 0.00 0.00 46.19 46.03 3cm1 s LEU 14 CO 0.32 -0.71 -0.10 -1.10 0.23 0.00 0.00 176.35 174.99 3cm1 s GLN 15 N -4.03 0.95 -0.42 1.70 -0.21 -0.47 -1.20 119.66 115.97 3cm1 s GLN 15 Ca 0.33 -0.34 -0.19 0.00 0.02 0.00 0.00 55.36 55.18 3cm1 s GLN 15 Cb 0.07 -0.89 0.02 0.00 1.00 0.00 0.00 33.01 33.21 3cm1 s GLN 15 CO 0.10 0.16 0.53 -1.17 -2.12 0.00 0.00 175.29 172.78 3cm1 s LEU 16 N 0.03 4.67 -0.29 2.90 2.96 -0.31 -0.95 118.68 127.70 3cm1 s LEU 16 Ca -0.01 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.25 3cm1 s LEU 16 Cb -0.07 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3cm1 s LEU 16 CO 0.00 -0.66 0.47 -0.63 -1.32 0.00 0.00 176.35 174.22 3cm1 s ILE 17 N 2.44 5.08 -0.19 6.68 1.01 -0.27 -2.56 121.20 133.40 3cm1 s ILE 17 Ca 0.17 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3cm1 s ILE 17 Cb -0.16 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3cm1 s ILE 17 CO 0.16 0.01 -0.17 0.68 0.00 0.00 0.00 174.94 175.62 3cm1 s VAL 18 N 2.27 2.34 0.00 2.92 -7.23 -1.26 -4.03 120.40 115.40 3cm1 s VAL 18 Ca 0.19 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3cm1 s VAL 18 Cb -0.16 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3cm1 s VAL 18 CO 0.11 0.51 0.11 -2.65 -0.31 0.00 0.00 175.10 172.86 3cm1 n PRO 19 N 4.65 0.00 -1.16 4.82 -0.02 -1.26 -0.99 135.00 141.04 3cm1 n PRO 19 Ca -0.20 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.15 3cm1 n PRO 19 Cb 0.50 -0.17 0.15 0.00 -0.02 0.00 0.00 33.50 33.97 3cm1 n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cm1 n ASP 20 N -1.69 4.23 -4.04 2.55 10.43 -1.26 -4.93 116.55 121.84 3cm1 n ASP 20 Ca 0.00 -3.52 -0.08 0.00 2.57 0.00 0.00 54.79 53.76 3cm1 n ASP 20 Cb 0.00 -0.84 -0.10 0.00 1.84 0.00 0.00 41.12 42.02 3cm1 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cm1 s ARG 21 N -3.12 0.54 0.65 -1.24 1.70 -0.16 -5.16 118.95 112.15 3cm1 s ARG 21 Ca 0.54 -1.01 -0.15 0.00 -0.47 0.00 0.00 55.73 54.64 3cm1 s ARG 21 Cb 0.45 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 35.01 3cm1 s ARG 21 CO 0.09 -0.10 1.09 0.00 -1.08 0.00 0.00 175.30 175.30 3cm1 s ALA 22 N -3.16 2.54 0.54 7.88 0.00 -1.26 -4.38 121.76 123.92 3cm1 s ALA 22 Ca -0.00 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 3cm1 s ALA 22 Cb 0.02 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3cm1 s ALA 22 CO -0.07 -1.17 1.37 -2.30 0.00 0.00 0.00 175.76 173.59 3cm1 n PRO 23 N -2.37 1.76 -4.04 0.00 -0.02 -1.26 -4.69 135.00 124.38 3cm1 n PRO 23 Ca 0.10 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 3cm1 n PRO 23 Cb 0.52 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 3cm1 n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cm1 s VAL 24 N -1.28 2.50 0.42 -1.45 1.01 -1.06 -4.95 120.40 115.59 3cm1 s VAL 24 Ca 0.71 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3cm1 s VAL 24 Cb -0.42 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 3cm1 s VAL 24 CO 0.50 0.37 1.06 -2.16 0.00 0.00 0.00 175.10 174.87 3cm1 s PRO 25 N 1.31 4.07 0.01 2.72 0.04 -1.26 -1.16 135.00 140.74 3cm1 s PRO 25 Ca 0.02 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.35 3cm1 s PRO 25 Cb -0.15 -2.46 0.05 0.00 0.04 0.00 0.00 34.50 31.98 3cm1 s PRO 25 CO -0.08 -0.22 0.53 -0.48 0.04 0.00 0.00 177.00 176.78 3cm1 s LEU 26 N -2.80 -0.07 -0.12 -3.56 0.05 -0.34 -4.60 118.68 107.23 3cm1 s LEU 26 Ca 0.60 0.30 -0.03 0.00 0.05 0.00 0.00 54.13 55.04 3cm1 s LEU 26 Cb -0.22 2.09 -0.03 0.00 -2.05 0.00 0.00 46.19 45.98 3cm1 s LEU 26 CO 0.27 -0.65 0.00 0.54 -0.55 0.00 0.00 176.35 175.97 3cm1 s VAL 27 N -1.95 4.31 -0.07 1.48 0.11 -1.23 -0.41 120.40 122.63 3cm1 s VAL 27 Ca -0.08 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3cm1 s VAL 27 Cb -0.01 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.96 3cm1 s VAL 27 CO 0.02 0.55 -0.14 0.00 -3.33 0.00 0.00 175.10 172.20 3cm1 s ALA 28 N -0.32 2.65 -0.34 1.54 0.00 -0.18 -3.43 121.76 121.67 3cm1 s ALA 28 Ca 0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3cm1 s ALA 28 Cb -0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3cm1 s ALA 28 CO 0.02 0.46 0.27 0.50 0.00 0.00 0.00 175.76 177.01 3cm1 s ARG 29 N -0.40 3.49 -0.10 0.00 3.52 -0.20 -0.88 118.95 124.37 3cm1 s ARG 29 Ca 0.04 -0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 3cm1 s ARG 29 Cb -0.12 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 3cm1 s ARG 29 CO 0.02 -0.48 0.23 -0.51 -0.81 0.00 0.00 175.30 173.75 3cm1 s LEU 30 N 1.79 4.37 0.03 -0.88 1.43 0.06 -0.61 118.68 124.86 3cm1 s LEU 30 Ca 0.07 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.66 3cm1 s LEU 30 Cb -0.17 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3cm1 s LEU 30 CO 0.11 0.32 0.18 1.51 0.23 0.00 0.00 176.35 178.70 3cm1 s ASP 31 N -0.69 0.03 -0.03 2.29 1.47 -0.66 -1.15 116.67 117.93 3cm1 s ASP 31 Ca 0.17 -0.31 0.01 0.00 1.18 0.00 0.00 52.55 53.60 3cm1 s ASP 31 Cb -0.13 0.26 0.01 0.00 -0.34 0.00 0.00 42.92 42.72 3cm1 s ASP 31 CO 0.06 -0.50 -0.05 -0.47 0.68 0.00 0.00 175.17 174.89 3cm1 s TYR 32 N -2.18 0.70 -0.07 2.11 5.04 -0.26 -1.42 117.35 121.27 3cm1 s TYR 32 Ca -0.08 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 3cm1 s TYR 32 Cb -0.03 -0.57 0.01 0.00 0.35 0.00 0.00 41.96 41.72 3cm1 s TYR 32 CO -0.02 -0.12 -0.17 0.45 -1.34 0.00 0.00 175.55 174.35 3cm1 s SER 33 N 0.52 2.28 0.60 4.32 0.15 -1.26 -0.63 113.70 119.69 3cm1 s SER 33 Ca -0.07 -0.39 0.31 0.00 0.70 0.00 0.00 55.95 56.50 3cm1 s SER 33 Cb -0.10 -0.97 1.83 0.00 -1.71 0.00 0.00 66.02 65.07 3cm1 s SER 33 CO 0.00 0.10 2.21 -0.37 1.20 0.00 0.00 173.24 176.38 3cm1 h VAL 34 N 5.74 0.43 0.00 4.45 -1.51 -1.64 0.86 116.25 124.57 3cm1 h VAL 34 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3cm1 h VAL 34 Cb 1.20 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3cm1 h VAL 34 CO 0.47 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.25 3cm1 h ASP 35 N 0.00 0.00 -2.07 4.19 3.32 -1.80 -3.20 116.42 116.87 3cm1 h ASP 35 Ca 0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.53 3cm1 h ASP 35 Cb 0.19 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.34 3cm1 h ASP 35 CO -0.00 0.00 -0.99 -0.67 -1.72 0.00 0.00 179.24 175.85 3cm1 n ASP 36 N -2.37 1.48 0.24 6.45 -0.08 0.29 -4.95 116.55 117.61 3cm1 n ASP 36 Ca 0.01 -3.03 0.16 0.00 -1.51 0.00 0.00 54.79 50.42 3cm1 n ASP 36 Cb 0.17 -0.63 0.75 0.00 2.34 0.00 0.00 41.12 43.76 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 3.61 0.00 -0.01 -0.67 0.13 -1.58 -1.63 132.00 131.84 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3cm1 h PRO 37 CO 0.58 0.00 -0.31 0.66 -0.23 0.00 0.00 178.00 178.70 3cm1 n TYR 38 N -2.72 0.00 -4.17 1.56 4.01 -1.26 -4.94 117.16 109.63 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 0.18 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.40 3.34 -0.07 -0.72 0.00 -0.61 -0.21 121.76 121.08 3cm1 s ALA 39 Ca 0.23 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3cm1 s ALA 39 Cb 0.19 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.23 3cm1 s ALA 39 CO 0.51 0.44 -0.08 0.42 0.00 0.00 0.00 175.76 177.04 3cm1 s ILE 40 N -1.85 0.88 0.14 0.00 -1.09 0.14 -4.60 121.20 114.81 3cm1 s ILE 40 Ca 0.29 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.30 3cm1 s ILE 40 Cb -0.09 -0.87 -0.07 0.00 -1.58 0.00 0.00 42.46 39.85 3cm1 s ILE 40 CO 0.21 0.32 0.54 -0.13 -1.23 0.00 0.00 174.94 174.64 3cm1 s ARG 41 N 1.15 3.97 -0.07 2.79 0.52 -0.51 -1.25 118.95 125.55 3cm1 s ARG 41 Ca -0.06 0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 3cm1 s ARG 41 Cb -0.14 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.42 3cm1 s ARG 41 CO -0.01 0.49 0.05 0.00 0.02 0.00 0.00 175.30 175.84 3cm1 s ALA 42 N -1.45 0.41 -0.40 2.13 0.00 0.14 -1.65 121.76 120.94 3cm1 s ALA 42 Ca 0.37 0.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3cm1 s ALA 42 Cb -0.15 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.30 3cm1 s ALA 42 CO 0.19 -0.58 0.23 0.00 0.00 0.00 0.00 175.76 175.60 3cm1 s ALA 43 N 2.10 3.29 0.04 0.00 0.00 0.22 -0.32 121.76 127.08 3cm1 s ALA 43 Ca 0.04 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.02 3cm1 s ALA 43 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3cm1 s ALA 43 CO -0.04 -1.51 0.34 -0.06 0.00 0.00 0.00 175.76 174.49 3cm1 s PHE 44 N 1.50 3.59 -0.16 0.00 0.40 -0.81 -1.03 117.98 121.47 3cm1 s PHE 44 Ca 0.02 0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 56.80 3cm1 s PHE 44 Cb -0.21 -2.09 0.06 0.00 0.51 0.00 0.00 43.02 41.30 3cm1 s PHE 44 CO 0.05 0.57 0.64 -3.38 0.70 0.00 0.00 175.22 173.80 3cm1 s HIS 45 N -1.33 -0.66 -0.40 0.36 -3.43 -1.22 -2.37 115.29 106.23 3cm1 s HIS 45 Ca 0.30 1.43 -0.14 0.00 -0.80 0.00 0.00 55.06 55.84 3cm1 s HIS 45 Cb -0.14 0.29 0.02 0.00 -1.43 0.00 0.00 32.58 31.33 3cm1 s HIS 45 CO 0.17 -0.44 0.29 0.08 -2.00 0.00 0.00 174.74 172.83 3cm1 s VAL 46 N -0.32 5.18 0.00 -5.38 1.01 -1.26 -3.54 120.40 116.09 3cm1 s VAL 46 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3cm1 s VAL 46 Cb -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3cm1 s VAL 46 CO 0.04 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3cm1 n GLY 47 N 5.14 3.25 1.69 4.51 0.00 -1.26 -3.09 105.19 115.43 3cm1 n GLY 47 Ca -0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3cm1 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cm1 n ASP 48 N 7.88 5.74 -4.74 1.61 9.92 -1.26 -4.94 116.55 130.76 3cm1 n ASP 48 Ca 0.00 -2.75 -0.35 0.00 -0.53 0.00 0.00 54.79 51.16 3cm1 n ASP 48 Cb 0.00 -1.04 -0.08 0.00 -0.64 0.00 0.00 41.12 39.35 3cm1 n ASP 48 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3cm1 s ASP 49 N 0.90 5.55 0.39 -2.24 1.11 -1.18 -5.09 116.67 116.13 3cm1 s ASP 49 Ca 0.18 0.21 -0.26 0.00 0.18 0.00 0.00 52.55 52.85 3cm1 s ASP 49 Cb 0.14 -1.62 -0.09 0.00 1.07 0.00 0.00 42.92 42.42 3cm1 s ASP 49 CO 0.00 0.36 1.29 -1.83 1.18 0.00 0.00 175.17 176.17 3cm1 s GLU 50 N -1.09 4.03 0.70 8.23 -1.05 -1.26 -4.64 118.70 123.62 3cm1 s GLU 50 Ca 0.15 2.13 -0.11 0.00 -0.15 0.00 0.00 54.97 56.99 3cm1 s GLU 50 Cb -0.12 -2.79 0.01 0.00 -0.44 0.00 0.00 34.13 30.79 3cm1 s GLU 50 CO 0.05 -0.43 1.07 -2.14 0.95 0.00 0.00 175.26 174.76 3cm1 s PRO 51 N -2.18 2.90 -0.09 -4.83 0.02 -1.26 -4.83 135.00 124.72 3cm1 s PRO 51 Ca 0.56 0.72 0.01 0.00 0.02 0.00 0.00 61.00 62.30 3cm1 s PRO 51 Cb -0.37 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 3cm1 s PRO 51 CO 0.48 -1.07 -0.10 0.54 -0.33 0.00 0.00 177.00 176.52 3cm1 s VAL 52 N -3.18 3.37 -0.17 3.83 0.11 -1.00 -4.99 120.40 118.38 3cm1 s VAL 52 Ca 0.58 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3cm1 s VAL 52 Cb -0.13 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 3cm1 s VAL 52 CO 0.54 0.56 -0.03 -0.70 -3.33 0.00 0.00 175.10 172.14 3cm1 s GLU 53 N -0.35 3.62 0.03 1.54 2.12 -1.26 -1.93 118.70 122.47 3cm1 s GLU 53 Ca 0.04 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.86 3cm1 s GLU 53 Cb -0.12 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 3cm1 s GLU 53 CO 0.02 0.15 0.01 -1.58 -0.54 0.00 0.00 175.26 173.32 3cm1 s TRP 54 N 0.61 3.07 -0.07 5.30 0.52 0.57 -4.95 118.94 123.98 3cm1 s TRP 54 Ca -0.02 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.16 3cm1 s TRP 54 Cb -0.14 -1.63 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3cm1 s TRP 54 CO 0.02 0.47 -0.07 -1.50 0.02 0.00 0.00 176.95 175.90 3cm1 s ILE 55 N -1.18 0.84 0.22 2.03 2.07 -1.26 0.25 121.20 124.17 3cm1 s ILE 55 Ca 0.22 -0.25 -0.06 0.00 -1.41 0.00 0.00 60.65 59.15 3cm1 s ILE 55 Cb -0.12 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 3cm1 s ILE 55 CO 0.14 0.31 0.26 0.72 -1.91 0.00 0.00 174.94 174.46 3cm1 s PHE 56 N 1.17 0.84 0.17 3.50 -0.12 -0.38 -4.97 117.98 118.20 3cm1 s PHE 56 Ca -0.06 -1.12 -0.32 0.00 -0.05 0.00 0.00 56.93 55.38 3cm1 s PHE 56 Cb -0.14 -0.27 -0.11 0.00 -0.63 0.00 0.00 43.02 41.88 3cm1 s PHE 56 CO -0.02 -0.77 1.63 0.00 -0.05 0.00 0.00 175.22 176.01 3cm1 s ALA 57 N -4.10 3.83 0.23 1.99 0.00 -1.26 -0.69 121.76 121.76 3cm1 s ALA 57 Ca 0.32 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.66 3cm1 s ALA 57 Cb 0.04 -3.65 0.39 0.00 0.00 0.00 0.00 23.12 19.90 3cm1 s ALA 57 CO 0.11 -0.85 1.75 -0.09 0.00 0.00 0.00 175.76 176.68 3cm1 h ARG 58 N 6.91 0.50 -0.02 0.00 2.43 -0.84 -2.16 114.38 121.20 3cm1 h ARG 58 Ca -0.43 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3cm1 h ARG 58 Cb 1.20 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3cm1 h ARG 58 CO 0.93 0.33 0.02 1.05 -1.51 0.00 0.00 179.97 180.79 3cm1 h GLU 59 N 0.51 0.00 -0.41 0.20 -0.00 -1.91 -1.85 114.58 111.12 3cm1 h GLU 59 Ca 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.64 3cm1 h GLU 59 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.23 3cm1 h GLU 59 CO -0.34 0.00 -0.16 1.25 -0.00 0.00 0.00 179.01 179.77 3cm1 h LEU 60 N 0.00 0.77 -0.22 3.06 5.85 -1.77 -1.03 115.31 121.98 3cm1 h LEU 60 Ca 0.01 -0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.26 3cm1 h LEU 60 Cb 0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3cm1 h LEU 60 CO -0.00 0.94 -0.86 0.25 -0.34 0.00 0.00 178.44 178.43 3cm1 h LEU 61 N 0.69 0.65 -0.65 2.25 5.85 -1.39 -0.27 115.31 122.44 3cm1 h LEU 61 Ca 0.11 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 3cm1 h LEU 61 Cb 0.65 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3cm1 h LEU 61 CO 0.05 1.26 0.35 0.74 -0.34 0.00 0.00 178.44 180.49 3cm1 h THR 62 N 0.33 1.21 -0.13 1.05 2.02 -1.22 -2.77 112.91 113.40 3cm1 h THR 62 Ca -0.07 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 3cm1 h THR 62 Cb 1.48 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3cm1 h THR 62 CO 0.16 0.23 -0.51 0.58 0.37 0.00 0.00 175.52 176.35 3cm1 h VAL 63 N 0.89 1.35 0.00 3.16 2.07 -1.17 -3.29 116.25 119.25 3cm1 h VAL 63 Ca 0.23 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3cm1 h VAL 63 Cb 0.05 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3cm1 h VAL 63 CO -0.04 0.55 -0.05 1.23 0.02 0.00 0.00 177.57 179.28 3cm1 h GLY 64 N 0.21 0.00 2.00 2.17 0.00 -0.98 0.17 103.07 106.65 3cm1 h GLY 64 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3cm1 h GLY 64 CO 0.11 0.00 -0.45 -2.22 0.00 0.00 0.00 176.54 173.97 3cm1 h ILE 65 N 0.00 1.29 0.07 2.60 2.04 -1.56 -2.81 117.51 119.15 3cm1 h ILE 65 Ca -0.00 -1.57 -0.37 0.00 1.00 0.00 0.00 64.86 63.92 3cm1 h ILE 65 Cb 0.13 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3cm1 h ILE 65 CO 0.01 0.44 -2.17 -0.38 0.00 0.00 0.00 178.15 176.05 3cm1 n ILE 66 N -3.95 1.66 -3.51 -0.67 2.08 -0.08 -4.61 119.36 110.29 3cm1 n ILE 66 Ca -0.02 -0.64 -0.14 0.00 0.56 0.00 0.00 62.75 62.52 3cm1 n ILE 66 Cb 0.48 -1.56 -0.04 0.00 -0.75 0.00 0.00 39.64 37.77 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 -2.54 1.13 0.13 0.38 1.70 0.42 -4.86 118.95 115.30 3cm1 s ARG 67 Ca -0.26 -0.23 -0.33 0.00 -0.47 0.00 0.00 55.73 54.44 3cm1 s ARG 67 Cb 0.07 0.52 -0.12 0.00 -0.57 0.00 0.00 34.95 34.85 3cm1 s ARG 67 CO 0.71 -0.43 1.72 -1.91 -1.08 0.00 0.00 175.30 174.31 3cm1 n GLU 68 N 0.20 2.47 -4.02 3.89 0.00 -1.26 -3.80 120.64 118.13 3cm1 n GLU 68 Ca -0.18 0.90 -0.13 0.00 0.00 0.00 0.00 57.16 57.75 3cm1 n GLU 68 Cb 0.61 -2.73 -0.03 0.00 0.00 0.00 0.00 31.44 29.30 3cm1 n GLU 68 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3cm1 s THR 69 N 1.86 0.00 -0.06 6.31 -1.32 0.02 -4.99 115.64 117.46 3cm1 s THR 69 Ca 0.81 -1.45 -0.32 0.00 -1.21 0.00 0.00 61.69 59.52 3cm1 s THR 69 Cb -0.59 -2.63 0.13 0.00 -1.51 0.00 0.00 72.50 67.90 3cm1 s THR 69 CO 0.38 0.00 1.35 -0.83 -2.21 0.00 0.00 174.62 173.31 3cm1 s GLY 70 N -3.18 -0.45 -0.23 6.08 0.00 -1.26 -1.42 107.32 106.86 3cm1 s GLY 70 Ca 0.26 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 3cm1 s GLY 70 CO 0.17 0.16 0.42 1.85 0.00 0.00 0.00 173.10 175.70 3cm1 s GLU 71 N -2.25 0.36 7.03 2.90 2.12 -0.58 -5.00 118.70 123.28 3cm1 s GLU 71 Ca 0.14 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.26 3cm1 s GLU 71 Cb 0.06 -0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.39 3cm1 s GLU 71 CO -0.05 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3cm1 n GLY 72 N 5.38 2.89 0.06 -1.50 0.00 -1.26 -1.98 105.19 108.78 3cm1 n GLY 72 Ca -0.05 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3cm1 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cm1 n ASP 73 N 10.44 0.65 -4.75 1.61 8.00 -1.26 -4.87 116.55 126.36 3cm1 n ASP 73 Ca 0.00 0.02 -0.40 0.00 0.71 0.00 0.00 54.79 55.12 3cm1 n ASP 73 Cb 0.00 0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.70 3cm1 n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3cm1 s VAL 74 N -3.26 4.09 -0.06 2.53 1.01 -0.84 -0.55 120.40 123.33 3cm1 s VAL 74 Ca 0.02 2.06 -0.03 0.00 0.00 0.00 0.00 61.98 64.03 3cm1 s VAL 74 Cb 0.13 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3cm1 s VAL 74 CO 0.79 0.48 0.12 -0.60 0.00 0.00 0.00 175.10 175.89 3cm1 s ARG 75 N -1.23 0.01 -0.06 2.72 3.00 -0.53 -1.53 118.95 121.34 3cm1 s ARG 75 Ca 0.41 0.45 0.04 0.00 -1.00 0.00 0.00 55.73 55.63 3cm1 s ARG 75 Cb -0.25 -0.32 0.00 0.00 0.00 0.00 0.00 34.95 34.38 3cm1 s ARG 75 CO 0.31 -0.28 -0.18 0.42 0.00 0.00 0.00 175.30 175.58 3cm1 s ILE 76 N 1.95 1.49 0.01 4.11 1.01 -0.51 -0.68 121.20 128.60 3cm1 s ILE 76 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 3cm1 s ILE 76 Cb -0.12 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.08 3cm1 s ILE 76 CO -0.05 0.43 0.34 -1.66 0.00 0.00 0.00 174.94 174.00 3cm1 s TRP 77 N 0.21 -0.18 0.69 3.97 -2.14 -0.46 -0.80 118.94 120.22 3cm1 s TRP 77 Ca -0.08 0.18 -0.08 0.00 2.66 0.00 0.00 56.10 58.78 3cm1 s TRP 77 Cb -0.14 0.12 0.04 0.00 -3.10 0.00 0.00 33.47 30.40 3cm1 s TRP 77 CO 0.04 -0.47 1.02 -1.25 -2.66 0.00 0.00 176.95 173.63 3cm1 s PRO 78 N -1.94 2.47 0.21 3.25 0.04 -1.06 -0.24 135.00 137.73 3cm1 s PRO 78 Ca -0.09 -0.02 -0.22 0.00 0.04 0.00 0.00 61.00 60.71 3cm1 s PRO 78 Cb -0.03 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.42 3cm1 s PRO 78 CO 0.01 -1.11 0.64 0.45 0.04 0.00 0.00 177.00 177.03 3cm1 s SER 79 N -4.44 -0.42 0.13 6.66 0.15 -1.26 -4.85 113.70 109.66 3cm1 s SER 79 Ca 0.58 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 57.04 3cm1 s SER 79 Cb -0.11 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 3cm1 s SER 79 CO 0.47 -1.13 -0.16 -1.10 1.20 0.00 0.00 173.24 172.52 3cm1 s GLN 80 N -3.83 1.85 -0.49 5.44 -1.52 -1.26 -4.61 119.66 115.25 3cm1 s GLN 80 Ca 0.06 -1.20 0.08 0.00 -1.95 0.00 0.00 55.36 52.34 3cm1 s GLN 80 Cb -0.03 -2.13 0.32 0.00 -0.22 0.00 0.00 33.01 30.95 3cm1 s GLN 80 CO -0.04 0.47 0.79 -0.25 -0.25 0.00 0.00 175.29 176.00 3cm1 n ASP 81 N 0.61 2.51 0.00 5.90 9.92 0.47 -4.98 116.55 130.98 3cm1 n ASP 81 Ca -0.14 -3.28 0.00 0.00 -0.53 0.00 0.00 54.79 50.84 3cm1 n ASP 81 Cb 0.53 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 3cm1 n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cm1 n GLY 82 N 0.32 1.81 0.10 0.44 0.00 -1.26 -2.90 105.19 103.70 3cm1 n GLY 82 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3cm1 n GLY 82 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cm1 h LYS 83 N 0.00 0.00 -6.31 1.61 -0.00 -2.02 -3.47 116.57 106.38 3cm1 h LYS 83 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 60.10 3cm1 h LYS 83 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.21 3cm1 h LYS 83 CO 0.00 0.22 0.69 -1.21 -0.00 0.00 0.00 179.45 179.15 3cm1 s GLU 84 N -3.05 4.36 0.53 0.07 0.41 -1.14 -5.09 118.70 114.79 3cm1 s GLU 84 Ca -0.02 1.66 -0.05 0.00 -0.41 0.00 0.00 54.97 56.15 3cm1 s GLU 84 Cb 0.09 -3.55 -0.01 0.00 -1.78 0.00 0.00 34.13 28.87 3cm1 s GLU 84 CO 0.80 -0.43 0.83 1.03 -0.49 0.00 0.00 175.26 177.00 3cm1 s ARG 85 N 2.17 3.22 -0.28 1.61 1.81 -1.26 -0.39 118.95 125.83 3cm1 s ARG 85 Ca 0.55 0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 54.39 3cm1 s ARG 85 Cb -0.24 -2.34 0.09 0.00 -0.45 0.00 0.00 34.95 32.00 3cm1 s ARG 85 CO 0.22 -0.44 0.79 0.54 -0.68 0.00 0.00 175.30 175.73 3cm1 s VAL 87 N -2.84 0.00 -0.10 3.52 0.11 0.45 -1.78 120.40 119.75 3cm1 s VAL 87 Ca 0.50 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.58 3cm1 s VAL 87 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3cm1 s VAL 87 CO 0.44 0.00 -0.20 0.20 -3.33 0.00 0.00 175.10 172.22 3cm1 s ASN 88 N 0.64 3.47 -0.05 3.54 0.01 0.66 -1.78 114.94 121.44 3cm1 s ASN 88 Ca -0.02 -0.45 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 3cm1 s ASN 88 Cb -0.05 -1.35 -0.01 0.00 0.41 0.00 0.00 41.25 40.25 3cm1 s ASN 88 CO -0.05 0.19 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.88 3cm1 s ILE 89 N 0.19 1.74 -0.01 0.60 1.01 -0.73 -1.36 121.20 122.63 3cm1 s ILE 89 Ca -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3cm1 s ILE 89 Cb -0.16 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3cm1 s ILE 89 CO 0.06 0.49 -0.05 0.00 0.00 0.00 0.00 174.94 175.45 3cm1 s ALA 90 N -0.10 0.50 -0.22 9.38 0.00 0.15 0.47 121.76 131.93 3cm1 s ALA 90 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 3cm1 s ALA 90 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3cm1 s ALA 90 CO 0.03 0.07 0.32 -0.51 0.00 0.00 0.00 175.76 175.67 3cm1 s LEU 91 N 0.19 4.13 0.04 0.00 1.43 -0.93 -1.45 118.68 122.09 3cm1 s LEU 91 Ca -0.02 0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 3cm1 s LEU 91 Cb -0.06 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 3cm1 s LEU 91 CO -0.00 -0.04 0.57 -0.44 0.23 0.00 0.00 176.35 176.67 3cm1 s SER 92 N 1.11 7.02 -0.00 2.29 0.01 0.29 -3.43 113.70 121.00 3cm1 s SER 92 Ca 0.15 1.22 -0.19 0.00 1.31 0.00 0.00 55.95 58.43 3cm1 s SER 92 Cb -0.14 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.77 3cm1 s SER 92 CO 0.07 0.22 0.42 -0.55 0.41 0.00 0.00 173.24 173.81 3cm1 s SER 93 N -0.81 -0.32 0.54 2.44 0.15 -1.26 -4.88 113.70 109.56 3cm1 s SER 93 Ca 0.29 0.19 0.25 0.00 0.70 0.00 0.00 55.95 57.39 3cm1 s SER 93 Cb -0.19 0.40 1.52 0.00 -1.71 0.00 0.00 66.02 66.03 3cm1 s SER 93 CO 0.18 -0.55 2.14 -0.65 1.20 0.00 0.00 173.24 175.56 3cm1 h PRO 94 N 3.41 0.00 -0.26 5.44 0.11 -2.04 -2.74 132.00 135.92 3cm1 h PRO 94 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3cm1 h PRO 94 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cm1 h PRO 94 CO 0.41 0.07 0.00 1.19 -0.21 0.00 0.00 178.00 179.46 3cm1 n PHE 95 N -3.93 0.09 0.00 0.65 3.72 -1.26 -4.92 117.46 111.81 3cm1 n PHE 95 Ca -0.03 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3cm1 n PHE 95 Cb 0.16 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3cm1 n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cm1 n GLY 96 N 0.46 2.06 3.74 1.37 0.00 -1.03 -5.02 105.19 106.77 3cm1 n GLY 96 Ca 0.02 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 3cm1 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cm1 s GLN 97 N -4.71 4.33 0.14 1.61 1.11 -1.26 -4.54 119.66 116.35 3cm1 s GLN 97 Ca 0.00 2.17 0.05 0.00 0.01 0.00 0.00 55.36 57.60 3cm1 s GLN 97 Cb 0.00 -3.15 -0.04 0.00 -1.01 0.00 0.00 33.01 28.81 3cm1 s GLN 97 CO 0.00 -0.34 0.08 0.00 0.01 0.00 0.00 175.29 175.04 3cm1 s ALA 98 N 0.07 3.45 -0.04 6.09 0.00 -1.22 -4.97 121.76 125.15 3cm1 s ALA 98 Ca 0.58 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3cm1 s ALA 98 Cb -0.39 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3cm1 s ALA 98 CO 0.40 0.57 0.07 1.03 0.00 0.00 0.00 175.76 177.83 3cm1 s ARG 99 N -2.85 -0.02 0.11 0.00 0.52 -1.26 -2.19 118.95 113.26 3cm1 s ARG 99 Ca 0.29 0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.83 3cm1 s ARG 99 Cb -0.10 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 3cm1 s ARG 99 CO 0.21 -0.22 0.16 -0.06 0.02 0.00 0.00 175.30 175.41 3cm1 s PHE 100 N 1.50 3.31 -0.07 -0.53 0.08 0.18 -1.11 117.98 121.33 3cm1 s PHE 100 Ca -0.04 0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.09 3cm1 s PHE 100 Cb -0.12 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3cm1 s PHE 100 CO -0.04 0.54 0.01 -1.58 -0.10 0.00 0.00 175.22 174.05 3cm1 s HIS 101 N -1.56 0.56 0.04 0.36 2.46 -0.12 -1.78 115.29 115.25 3cm1 s HIS 101 Ca 0.32 -0.11 -0.03 0.00 0.47 0.00 0.00 55.06 55.71 3cm1 s HIS 101 Cb -0.12 -0.75 -0.02 0.00 -0.13 0.00 0.00 32.58 31.56 3cm1 s HIS 101 CO 0.25 -0.31 0.02 0.00 -2.47 0.00 0.00 174.74 172.23 3cm1 s ALA 102 N 2.01 0.21 0.40 1.58 0.00 -0.73 -1.37 121.76 123.85 3cm1 s ALA 102 Ca 0.05 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 3cm1 s ALA 102 Cb -0.12 0.26 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 3cm1 s ALA 102 CO -0.05 -0.33 1.00 1.14 0.00 0.00 0.00 175.76 177.52 3cm1 s GLN 103 N -3.06 4.21 0.08 0.00 -2.07 -1.26 -0.41 119.66 117.14 3cm1 s GLN 103 Ca -0.01 1.35 -0.16 0.00 -1.82 0.00 0.00 55.36 54.72 3cm1 s GLN 103 Cb 0.02 -2.43 -0.12 0.00 -1.09 0.00 0.00 33.01 29.38 3cm1 s GLN 103 CO -0.07 -0.07 1.35 0.28 -1.32 0.00 0.00 175.29 175.46 3cm1 h VAL 104 N 2.11 1.32 -0.68 3.63 2.07 -1.73 -3.37 116.25 119.60 3cm1 h VAL 104 Ca -0.48 -1.58 0.10 0.00 0.82 0.00 0.00 66.70 65.56 3cm1 h VAL 104 Cb 1.20 1.81 -0.12 0.00 -1.52 0.00 0.00 31.29 32.67 3cm1 h VAL 104 CO 0.62 0.49 -0.43 0.00 0.02 0.00 0.00 177.57 178.27 3cm1 h ALA 105 N 0.62 -0.25 -0.67 1.67 0.00 -1.94 0.28 119.26 118.97 3cm1 h ALA 105 Ca 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3cm1 h ALA 105 Cb 0.96 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 3cm1 h ALA 105 CO 0.08 -0.80 0.14 -1.35 0.00 0.00 0.00 179.25 177.33 3cm1 h PRO 106 N -0.17 1.09 -0.45 0.00 0.11 -2.00 0.49 132.00 131.07 3cm1 h PRO 106 Ca 0.21 -0.27 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3cm1 h PRO 106 Cb 0.55 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3cm1 h PRO 106 CO -0.75 0.98 0.05 -0.07 -0.21 0.00 0.00 178.00 177.99 3cm1 h LEU 107 N 1.03 0.74 -0.43 2.35 3.38 -1.46 -1.89 115.31 119.02 3cm1 h LEU 107 Ca 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3cm1 h LEU 107 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3cm1 h LEU 107 CO 0.01 0.83 0.28 -1.28 0.09 0.00 0.00 178.44 178.37 3cm1 h SER 108 N 0.62 0.49 -0.64 -0.43 0.87 -0.10 0.06 113.55 114.41 3cm1 h SER 108 Ca 0.13 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3cm1 h SER 108 Cb 0.42 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3cm1 h SER 108 CO 0.01 0.35 0.41 -0.08 -0.53 0.00 0.00 176.83 177.00 3cm1 h GLU 109 N 0.58 0.85 -0.33 2.24 4.57 -0.80 0.14 114.58 121.83 3cm1 h GLU 109 Ca 0.16 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3cm1 h GLU 109 Cb -0.07 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 3cm1 h GLU 109 CO -0.03 0.58 0.17 0.35 -1.18 0.00 0.00 179.01 178.90 3cm1 h PHE 110 N 0.87 0.46 -0.92 0.92 3.57 -0.98 -1.56 116.94 119.30 3cm1 h PHE 110 Ca 0.23 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3cm1 h PHE 110 Cb -0.07 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3cm1 h PHE 110 CO -0.02 0.39 0.52 -0.07 -2.23 0.00 0.00 178.31 176.90 3cm1 h LEU 111 N 0.40 1.13 -0.70 0.59 3.38 -0.51 -1.65 115.31 117.95 3cm1 h LEU 111 Ca 0.11 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3cm1 h LEU 111 Cb 0.09 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3cm1 h LEU 111 CO -0.02 0.89 0.43 -0.74 0.09 0.00 0.00 178.44 179.10 3cm1 h HIS 112 N 1.28 0.81 -0.94 1.13 2.76 -0.20 -0.06 115.15 119.93 3cm1 h HIS 112 Ca 0.33 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3cm1 h HIS 112 Cb -0.00 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.65 3cm1 h HIS 112 CO 0.01 0.45 0.60 0.00 -1.30 0.00 0.00 177.93 177.69 3cm1 h ARG 113 N 0.84 1.25 -0.63 5.26 3.08 -0.70 -1.56 114.38 121.93 3cm1 h ARG 113 Ca 0.29 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3cm1 h ARG 113 Cb 0.05 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3cm1 h ARG 113 CO -0.12 0.85 0.16 1.79 -1.07 0.00 0.00 179.97 181.58 3cm1 h THR 114 N 1.28 1.25 0.00 2.04 1.35 -0.30 -2.38 112.91 116.16 3cm1 h THR 114 Ca 0.34 -0.91 -0.05 0.00 -0.55 0.00 0.00 66.41 65.25 3cm1 h THR 114 Cb -0.11 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3cm1 h THR 114 CO -0.07 0.34 -0.22 1.88 -0.25 0.00 0.00 175.52 177.21 3cm1 h TYR 115 N 0.92 0.00 -0.49 4.73 0.05 -0.70 0.09 116.97 121.57 3cm1 h TYR 115 Ca 0.20 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.87 3cm1 h TYR 115 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3cm1 h TYR 115 CO 0.02 0.22 -0.12 0.93 -1.05 0.00 0.00 178.16 178.16 3cm1 h GLU 116 N 0.00 0.92 -0.07 4.88 5.08 -0.79 -1.92 114.58 122.68 3cm1 h GLU 116 Ca -0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 3cm1 h GLU 116 Cb 0.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3cm1 h GLU 116 CO 0.03 0.98 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.73 3cm1 h LEU 117 N 0.82 0.32 -6.90 1.33 3.38 -1.07 -3.42 115.31 109.77 3cm1 h LEU 117 Ca 0.13 -0.61 -0.56 0.00 0.09 0.00 0.00 57.88 56.93 3cm1 h LEU 117 Cb 0.65 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.91 3cm1 h LEU 117 CO 0.05 0.87 -0.78 -0.69 0.09 0.00 0.00 178.44 177.98 3cm1 s VAL 118 N -3.80 0.35 0.58 1.22 1.01 -0.03 -4.61 120.40 115.12 3cm1 s VAL 118 Ca -0.15 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 3cm1 s VAL 118 Cb 0.03 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3cm1 s VAL 118 CO 0.75 -0.75 1.30 -2.65 0.00 0.00 0.00 175.10 173.75 3cm1 n PRO 119 N 4.88 1.43 -1.66 2.72 -0.02 -0.73 -4.16 135.00 137.46 3cm1 n PRO 119 Ca -0.02 0.54 -0.49 0.00 -2.02 0.00 0.00 63.50 61.52 3cm1 n PRO 119 Cb 0.41 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.36 0.70 -0.00 3.55 0.00 -1.26 -1.44 120.51 120.70 3cm1 n ALA 120 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3cm1 n ALA 120 Cb 0.46 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 3.54 0.12 0.61 0.00 0.00 -1.26 -4.90 105.19 103.29 3cm1 n GLY 121 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 2.75 0.15 1.61 6.02 -0.52 -4.62 117.38 120.76 3cm1 n GLN 122 Ca 0.00 -2.35 0.08 0.00 -0.01 0.00 0.00 57.00 54.72 3cm1 n GLN 122 Cb 0.00 -1.49 0.58 0.00 1.02 0.00 0.00 30.24 30.35 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 1.49 0.17 -1.00 -1.09 3.07 -1.91 -2.82 114.58 112.48 3cm1 h GLU 123 Ca 0.00 -0.01 0.21 0.00 -0.50 0.00 0.00 59.36 59.06 3cm1 h GLU 123 Cb 1.01 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.77 3cm1 h GLU 123 CO 0.09 0.11 0.61 0.77 -1.40 0.00 0.00 179.01 179.19 3cm1 h SER 124 N 0.17 0.73 -0.96 1.42 0.02 -1.96 -1.28 113.55 111.70 3cm1 h SER 124 Ca 0.08 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3cm1 h SER 124 Cb 0.10 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3cm1 h SER 124 CO -0.01 0.20 0.63 0.44 -1.14 0.00 0.00 176.83 176.95 3cm1 h ASP 125 N 0.68 1.06 0.74 3.07 3.32 -1.87 0.67 116.42 124.08 3cm1 h ASP 125 Ca 0.61 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.43 3cm1 h ASP 125 Cb 1.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3cm1 h ASP 125 CO -0.41 0.74 -0.96 1.88 -1.72 0.00 0.00 179.24 178.77 3cm1 h TYR 126 N 1.24 0.20 -0.37 4.55 0.05 -1.43 -2.37 116.97 118.84 3cm1 h TYR 126 Ca 0.37 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 3cm1 h TYR 126 Cb -0.05 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3cm1 h TYR 126 CO -0.00 1.00 0.10 0.82 -1.05 0.00 0.00 178.16 179.03 3cm1 h ILE 127 N 0.06 1.22 -0.79 -2.88 1.08 -0.76 -1.63 117.51 113.80 3cm1 h ILE 127 Ca -0.04 -0.73 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 3cm1 h ILE 127 Cb 1.64 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 36.31 3cm1 h ILE 127 CO 0.14 0.25 0.45 0.44 -0.69 0.00 0.00 178.15 178.74 3cm1 h ASP 128 N 0.45 0.64 -0.37 1.72 3.32 -0.73 -0.49 116.42 120.96 3cm1 h ASP 128 Ca 0.12 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3cm1 h ASP 128 Cb 0.28 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3cm1 h ASP 128 CO -0.00 0.38 0.04 0.40 -1.72 0.00 0.00 179.24 178.34 3cm1 h ILE 129 N 0.76 1.25 -0.81 0.35 2.04 -1.21 0.06 117.51 119.95 3cm1 h ILE 129 Ca 0.37 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.41 3cm1 h ILE 129 Cb 0.32 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 3cm1 h ILE 129 CO -0.23 0.30 0.48 0.44 0.00 0.00 0.00 178.15 179.13 3cm1 h ASP 130 N 0.46 0.72 -0.64 1.72 3.32 -0.63 -0.48 116.42 120.90 3cm1 h ASP 130 Ca 0.11 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3cm1 h ASP 130 Cb 0.39 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3cm1 h ASP 130 CO 0.01 0.45 0.07 0.00 -1.72 0.00 0.00 179.24 178.05 3cm1 h ALA 131 N 1.41 0.85 -0.66 3.45 0.00 -0.78 -2.71 119.26 120.83 3cm1 h ALA 131 Ca 0.37 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3cm1 h ALA 131 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3cm1 h ALA 131 CO -0.20 0.64 0.08 0.93 0.00 0.00 0.00 179.25 180.70 3cm1 h GLU 132 N 0.99 1.10 -0.26 0.00 5.08 -0.01 -1.60 114.58 119.88 3cm1 h GLU 132 Ca 0.19 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3cm1 h GLU 132 Cb 0.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3cm1 h GLU 132 CO 0.02 1.02 0.08 0.82 -1.00 0.00 0.00 179.01 179.95 3cm1 h ILE 133 N 1.02 1.20 -0.95 3.13 2.04 -1.08 -2.68 117.51 120.19 3cm1 h ILE 133 Ca 0.20 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.53 3cm1 h ILE 133 Cb 0.47 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 3cm1 h ILE 133 CO 0.02 0.21 0.61 0.00 0.00 0.00 0.00 178.15 178.98 3cm1 h ALA 134 N 0.90 1.60 0.00 1.87 0.00 -1.27 -0.65 119.26 121.72 3cm1 h ALA 134 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cm1 h ALA 134 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3cm1 h ALA 134 CO -0.00 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.82 3cm1 n GLU 135 N -4.57 0.42 -0.01 0.00 1.02 -0.62 -2.54 120.64 114.34 3cm1 n GLU 135 Ca 0.17 0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 3cm1 n GLU 135 Cb 0.34 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 3cm1 n GLU 135 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cm1 n HIS 136 N -1.15 0.00 1.52 -0.32 8.25 -0.66 -5.08 115.22 117.79 3cm1 n HIS 136 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 3cm1 n HIS 136 Cb 0.11 -0.13 0.72 0.00 1.12 0.00 0.00 29.99 31.81 3cm1 n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26