#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqc s MET 55 N 0.00 3.94 0.55 0.38 -2.45 -0.07 -4.91 119.30 116.73 2qqc s MET 55 Ca 0.00 0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 54.76 2qqc s MET 55 Cb 0.00 -3.74 -0.05 0.00 1.25 0.00 0.00 34.83 32.29 2qqc s MET 55 CO 0.00 -0.68 1.22 -2.30 1.05 0.00 0.00 175.02 174.31 2qqc n PRO 56 N 6.19 1.45 -1.69 4.11 -0.02 -1.26 -0.09 135.00 143.70 2qqc n PRO 56 Ca 0.03 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2qqc n PRO 56 Cb 0.48 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2qqc n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qqc n PRO 57 N -0.89 1.44 -0.92 0.52 -0.02 -1.26 -1.73 135.00 132.15 2qqc n PRO 57 Ca 0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qqc n PRO 57 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2qqc n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qqc n GLU 58 N -0.80 -0.40 -3.23 -0.52 -0.58 -1.26 -5.00 120.64 108.86 2qqc n GLU 58 Ca 0.11 0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.65 2qqc n GLU 58 Cb 0.44 -3.49 -0.04 0.00 -0.57 0.00 0.00 31.44 27.78 2qqc n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qqc s ALA 59 N -2.21 3.52 0.07 0.62 0.00 -0.70 -5.09 121.76 117.97 2qqc s ALA 59 Ca 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.67 2qqc s ALA 59 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2qqc s ALA 59 CO 0.00 0.25 -0.18 -1.83 0.00 0.00 0.00 175.76 174.00 2qqc s GLU 60 N -3.40 1.09 -0.13 0.00 -1.05 -1.26 -4.98 118.70 108.96 2qqc s GLU 60 Ca 0.47 -0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 2qqc s GLU 60 Cb -0.11 -1.22 -0.01 0.00 -0.44 0.00 0.00 34.13 32.36 2qqc s GLU 60 CO 0.27 0.29 1.00 0.42 0.95 0.00 0.00 175.26 178.20 2qqc s ILE 61 N -1.04 4.77 0.15 1.83 1.01 -1.26 -5.02 121.20 121.64 2qqc s ILE 61 Ca 0.04 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.71 2qqc s ILE 61 Cb -0.09 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2qqc s ILE 61 CO 0.03 -0.03 0.03 0.68 0.00 0.00 0.00 174.94 175.65 2qqc s VAL 62 N 2.25 0.38 0.76 2.92 -7.23 -1.26 -5.13 120.40 113.09 2qqc s VAL 62 Ca 0.47 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2qqc s VAL 62 Cb -0.18 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2qqc s VAL 62 CO 0.15 -0.46 1.20 -2.65 -0.31 0.00 0.00 175.10 173.04 2qqc n PRO 63 N -0.17 0.45 -1.69 4.82 -0.02 -1.26 -4.84 135.00 132.29 2qqc n PRO 63 Ca -0.06 0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.20 2qqc n PRO 63 Cb 0.64 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2qqc n PRO 63 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2qqc n LEU 64 N -2.77 3.71 -4.93 2.45 7.94 -1.26 -4.97 117.00 117.17 2qqc n LEU 64 Ca 0.14 1.02 -0.28 0.00 -1.11 0.00 0.00 56.01 55.78 2qqc n LEU 64 Cb 0.50 -1.49 0.13 0.00 0.53 0.00 0.00 43.42 43.08 2qqc n LEU 64 CO 0.48 0.03 0.76 -2.16 -1.11 0.00 0.00 177.39 175.39 2qqc s PRO 65 N 2.24 1.39 -0.48 1.96 0.04 -1.26 -4.96 135.00 133.93 2qqc s PRO 65 Ca 0.82 -0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 2qqc s PRO 65 Cb -0.56 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2qqc s PRO 65 CO 0.39 -1.86 1.40 0.21 0.04 0.00 0.00 177.00 177.18 2qqc s LYS 66 N -5.59 3.45 0.01 4.56 2.20 -1.26 -4.98 119.74 118.14 2qqc s LYS 66 Ca 0.67 0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 56.79 2qqc s LYS 66 Cb -0.07 -4.07 -0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2qqc s LYS 66 CO 0.49 -1.74 0.57 -0.51 -0.36 0.00 0.00 175.35 173.81 2qqc s LEU 67 N 5.71 4.45 0.26 5.43 1.43 -1.26 -5.03 118.68 129.67 2qqc s LEU 67 Ca 0.57 1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 2qqc s LEU 67 Cb -0.12 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 2qqc s LEU 67 CO 0.29 0.16 1.41 -2.84 0.23 0.00 0.00 176.35 175.61 2qqc s PRO 68 N -0.49 4.28 0.27 1.29 0.02 -1.26 -4.90 135.00 134.21 2qqc s PRO 68 Ca 0.30 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 2qqc s PRO 68 Cb -0.18 -3.11 -0.11 0.00 0.02 0.00 0.00 34.50 31.12 2qqc s PRO 68 CO 0.17 -0.38 1.59 -1.64 -0.33 0.00 0.00 177.00 176.41 2qqc s MET 69 N -0.56 4.15 0.00 5.54 -1.94 -1.26 -1.57 119.30 123.66 2qqc s MET 69 Ca 0.58 2.52 0.00 0.00 -1.71 0.00 0.00 55.69 57.08 2qqc s MET 69 Cb -0.41 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.38 2qqc s MET 69 CO 0.44 -0.61 0.00 0.41 -0.01 0.00 0.00 175.02 175.25 2qqc n GLY 70 N 2.53 1.20 3.63 -0.03 0.00 -1.26 -5.03 105.19 106.22 2qqc n GLY 70 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2qqc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqc n ALA 71 N -0.86 0.41 -2.99 4.61 0.00 -0.61 -4.90 120.51 116.17 2qqc n ALA 71 Ca 0.00 0.18 -0.44 0.00 0.00 0.00 0.00 53.44 53.18 2qqc n ALA 71 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 2qqc n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qqc s LEU 72 N -1.12 4.96 -0.35 0.00 1.43 -1.26 -5.01 118.68 117.33 2qqc s LEU 72 Ca 0.66 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2qqc s LEU 72 Cb -0.51 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 2qqc s LEU 72 CO 0.55 -1.24 0.22 -0.69 0.23 0.00 0.00 176.35 175.42 2qqc s VAL 73 N 3.21 4.96 -0.07 -1.59 1.01 -1.26 -5.04 120.40 121.62 2qqc s VAL 73 Ca 0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2qqc s VAL 73 Cb -0.19 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2qqc s VAL 73 CO 0.06 -0.06 1.90 -2.84 0.00 0.00 0.00 175.10 174.16 2qqc s PRO 74 N 1.66 3.90 -0.03 2.72 0.02 -1.26 -4.88 135.00 137.13 2qqc s PRO 74 Ca 0.05 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2qqc s PRO 74 Cb -0.18 -4.15 0.01 0.00 0.02 0.00 0.00 34.50 30.21 2qqc s PRO 74 CO 0.09 -1.21 -0.05 0.99 -0.33 0.00 0.00 177.00 176.48 2qqc s THR 75 N 5.25 0.48 -0.21 0.99 2.01 -1.26 -0.99 115.64 121.91 2qqc s THR 75 Ca 0.85 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 2qqc s THR 75 Cb -0.36 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2qqc s THR 75 CO 0.36 0.19 0.24 0.00 -0.69 0.00 0.00 174.62 174.71 2qqc s ALA 76 N 0.55 3.60 0.17 7.40 0.00 -0.65 -4.96 121.76 127.87 2qqc s ALA 76 Ca -0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 2qqc s ALA 76 Cb -0.10 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2qqc s ALA 76 CO -0.00 -0.13 0.38 1.52 0.00 0.00 0.00 175.76 177.52 2qqc s TYR 77 N 0.94 0.13 0.02 0.00 -0.85 -1.26 -0.58 117.35 115.74 2qqc s TYR 77 Ca 0.12 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 2qqc s TYR 77 Cb -0.13 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 2qqc s TYR 77 CO 0.04 -0.78 -0.06 0.20 -1.52 0.00 0.00 175.55 173.43 2qqc s GLY 78 N -2.91 0.37 0.16 5.49 0.00 -0.49 -4.96 107.32 104.98 2qqc s GLY 78 Ca 0.12 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 2qqc s GLY 78 CO -0.03 -0.47 0.46 -2.52 0.00 0.00 0.00 173.10 170.55 2qqc s TYR 79 N -0.68 -0.18 -0.09 1.90 -0.85 -1.26 -1.72 117.35 114.47 2qqc s TYR 79 Ca -0.03 -0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 56.26 2qqc s TYR 79 Cb -0.06 0.33 0.03 0.00 0.38 0.00 0.00 41.96 42.64 2qqc s TYR 79 CO 0.00 -0.80 0.30 -1.50 -1.52 0.00 0.00 175.55 172.03 2qqc s ILE 80 N -3.83 0.01 -0.06 -3.49 2.07 -0.89 -4.86 121.20 110.16 2qqc s ILE 80 Ca 0.06 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.23 2qqc s ILE 80 Cb 0.00 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 2qqc s ILE 80 CO -0.08 -0.06 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.08 2qqc s ILE 81 N -0.15 1.55 -0.01 2.00 1.01 -1.26 -1.82 121.20 122.53 2qqc s ILE 81 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2qqc s ILE 81 Cb -0.03 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.10 2qqc s ILE 81 CO 0.01 0.44 0.01 -0.55 0.00 0.00 0.00 174.94 174.86 2qqc s SER 82 N 0.15 -0.01 -0.22 3.58 0.15 -0.56 -5.01 113.70 111.78 2qqc s SER 82 Ca -0.07 0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.74 2qqc s SER 82 Cb -0.13 0.03 0.52 0.00 -1.71 0.00 0.00 66.02 64.73 2qqc s SER 82 CO 0.03 -0.01 1.44 -0.90 1.20 0.00 0.00 173.24 175.00 2qqc n ASP 83 N 3.04 3.37 -4.44 5.45 5.75 -1.26 -1.42 116.55 127.04 2qqc n ASP 83 Ca -0.12 -3.28 -0.44 0.00 -0.01 0.00 0.00 54.79 50.94 2qqc n ASP 83 Cb 0.60 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 2qqc n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qqc s VAL 84 N -2.98 4.89 0.19 2.12 1.01 -1.26 -4.80 120.40 119.57 2qqc s VAL 84 Ca 0.43 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.55 2qqc s VAL 84 Cb 0.36 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2qqc s VAL 84 CO 0.06 -0.80 1.30 -2.65 0.00 0.00 0.00 175.10 173.00 2qqc n PRO 85 N 6.13 1.57 -0.23 2.72 -0.02 -1.26 -1.31 135.00 142.59 2qqc n PRO 85 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2qqc n PRO 85 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2qqc n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqc n GLY 86 N 2.19 2.28 3.72 -1.23 0.00 0.17 -4.96 105.19 107.36 2qqc n GLY 86 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2qqc n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqc s GLU 87 N -0.02 4.53 -0.16 1.61 2.12 -0.43 -4.67 118.70 121.68 2qqc s GLU 87 Ca 0.00 1.59 -0.18 0.00 0.36 0.00 0.00 54.97 56.75 2qqc s GLU 87 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2qqc s GLU 87 CO 0.00 -0.08 0.47 0.99 -0.54 0.00 0.00 175.26 176.11 2qqc s THR 88 N 0.73 5.17 0.12 -1.70 2.01 -1.26 -0.86 115.64 119.85 2qqc s THR 88 Ca 0.53 0.90 0.08 0.00 0.31 0.00 0.00 61.69 63.52 2qqc s THR 88 Cb -0.26 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2qqc s THR 88 CO 0.30 0.26 -0.20 0.27 -0.69 0.00 0.00 174.62 174.56 2qqc s ILE 89 N 1.08 1.77 0.05 1.82 -4.36 0.45 -2.34 121.20 119.67 2qqc s ILE 89 Ca 0.24 -1.66 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 2qqc s ILE 89 Cb -0.15 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 2qqc s ILE 89 CO 0.09 -0.13 0.08 -0.44 0.24 0.00 0.00 174.94 174.78 2qqc s SER 90 N -2.14 0.26 0.04 4.36 0.01 0.33 0.48 113.70 117.04 2qqc s SER 90 Ca 0.09 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2qqc s SER 90 Cb -0.09 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 2qqc s SER 90 CO 0.05 -0.59 -0.08 0.00 0.41 0.00 0.00 173.24 173.04 2qqc s ALA 91 N -3.28 0.56 0.00 1.44 0.00 -0.64 -1.25 121.76 118.58 2qqc s ALA 91 Ca 0.01 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 2qqc s ALA 91 Cb 0.03 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.23 2qqc s ALA 91 CO -0.08 -0.01 0.50 0.00 0.00 0.00 0.00 175.76 176.17 2qqc s ALA 92 N -1.30 -1.27 0.03 0.00 0.00 -0.07 -1.39 121.76 117.76 2qqc s ALA 92 Ca -0.09 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2qqc s ALA 92 Cb -0.09 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2qqc s ALA 92 CO 0.00 -0.39 -0.09 -1.50 0.00 0.00 0.00 175.76 173.79 2qqc s ILE 93 N -1.76 0.64 0.05 0.00 1.10 -0.50 -1.00 121.20 119.73 2qqc s ILE 93 Ca -0.09 -0.82 0.01 0.00 -0.51 0.00 0.00 60.65 59.24 2qqc s ILE 93 Cb -0.02 -0.63 -0.03 0.00 0.15 0.00 0.00 42.46 41.93 2qqc s ILE 93 CO 0.03 -0.15 -0.05 -0.94 -2.11 0.00 0.00 174.94 171.72 2qqc s SER 94 N -1.06 0.69 -0.15 4.50 1.04 -0.38 -1.61 113.70 116.73 2qqc s SER 94 Ca -0.04 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 2qqc s SER 94 Cb -0.07 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.19 2qqc s SER 94 CO 0.00 -0.37 -0.01 -0.69 0.98 0.00 0.00 173.24 173.15 2qqc s VAL 95 N -2.43 0.74 -0.28 5.02 1.01 0.68 -0.79 120.40 124.36 2qqc s VAL 95 Ca -0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2qqc s VAL 95 Cb -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2qqc s VAL 95 CO -0.03 0.07 0.73 0.00 0.00 0.00 0.00 175.10 175.87 2qqc s ALA 96 N 1.79 3.58 -0.21 5.51 0.00 0.12 -1.77 121.76 130.77 2qqc s ALA 96 Ca 0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 2qqc s ALA 96 Cb -0.15 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2qqc s ALA 96 CO -0.07 -1.02 0.31 0.42 0.00 0.00 0.00 175.76 175.39 2qqc s ILE 97 N 2.76 5.26 0.32 0.00 1.01 -0.02 -1.71 121.20 128.82 2qqc s ILE 97 Ca 0.30 0.51 -0.27 0.00 0.00 0.00 0.00 60.65 61.19 2qqc s ILE 97 Cb -0.15 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 2qqc s ILE 97 CO 0.10 0.30 1.01 -2.16 0.00 0.00 0.00 174.94 174.18 2qqc s PRO 98 N 1.14 4.55 0.31 2.79 0.04 -1.26 -0.34 135.00 142.23 2qqc s PRO 98 Ca 0.15 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2qqc s PRO 98 Cb -0.14 -2.92 0.50 0.00 0.04 0.00 0.00 34.50 31.97 2qqc s PRO 98 CO 0.06 0.21 1.82 -0.22 0.04 0.00 0.00 177.00 178.92 2qqc h LYS 99 N 3.35 0.61 -5.99 4.56 3.64 -1.67 -3.36 116.57 117.71 2qqc h LYS 99 Ca -0.47 -0.15 -0.58 0.00 -1.27 0.00 0.00 60.65 58.18 2qqc h LYS 99 Cb 1.20 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.84 2qqc h LYS 99 CO 0.65 0.65 0.79 0.34 -2.27 0.00 0.00 179.45 179.61 2qqc s ASP 100 N -6.71 6.23 0.00 4.20 -1.08 -1.26 -4.88 116.67 113.17 2qqc s ASP 100 Ca -0.08 -0.55 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 2qqc s ASP 100 Cb 0.15 -2.49 0.26 0.00 -1.46 0.00 0.00 42.92 39.38 2qqc s ASP 100 CO 0.78 -1.56 0.93 0.29 0.52 0.00 0.00 175.17 176.13 2qqc n LYS 101 N 8.38 0.09 0.05 4.34 4.76 -1.26 -1.01 118.16 133.52 2qqc n LYS 101 Ca 0.01 0.17 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 2qqc n LYS 101 Cb 0.48 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.42 2qqc n LYS 101 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qqc n SER 102 N -1.20 0.61 -4.96 4.39 3.41 -1.26 -4.07 113.62 110.54 2qqc n SER 102 Ca 0.03 0.13 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 2qqc n SER 102 Cb 0.03 0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2qqc n SER 102 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qqc s LEU 103 N -3.91 3.43 0.58 1.04 1.43 -0.18 -4.82 118.68 116.25 2qqc s LEU 103 Ca 0.08 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2qqc s LEU 103 Cb 0.15 -3.06 0.03 0.00 0.03 0.00 0.00 46.19 43.34 2qqc s LEU 103 CO 0.69 -0.94 0.83 0.00 0.23 0.00 0.00 176.35 177.15 2qqc s GLY 105 N -4.40 1.77 -0.17 0.00 0.00 0.87 -4.45 107.32 100.94 2qqc s GLY 105 Ca 0.56 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 44.45 2qqc s GLY 105 CO 0.41 -0.75 -0.08 -2.27 0.00 0.00 0.00 173.10 170.41 2qqc s LEU 106 N -3.41 2.89 -0.24 0.66 2.96 -0.69 -0.89 118.68 119.96 2qqc s LEU 106 Ca 0.39 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2qqc s LEU 106 Cb -0.11 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2qqc s LEU 106 CO 0.29 0.10 0.09 -0.63 -1.32 0.00 0.00 176.35 174.88 2qqc s ILE 107 N 0.78 4.58 0.18 6.68 1.01 -1.26 0.11 121.20 133.29 2qqc s ILE 107 Ca -0.03 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.62 2qqc s ILE 107 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2qqc s ILE 107 CO 0.01 0.35 -0.06 -0.04 0.00 0.00 0.00 174.94 175.21 2qqc s MET 108 N 1.34 2.18 0.03 2.79 -1.94 0.03 -4.72 119.30 119.01 2qqc s MET 108 Ca 0.05 -1.22 0.03 0.00 -1.71 0.00 0.00 55.69 52.84 2qqc s MET 108 Cb -0.15 -2.22 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 2qqc s MET 108 CO 0.04 0.44 -0.08 1.14 -0.01 0.00 0.00 175.02 176.55 2qqc s GLN 109 N -2.89 0.56 -0.03 2.03 -2.07 -1.26 -1.25 119.66 114.75 2qqc s GLN 109 Ca 0.26 -0.63 -0.10 0.00 -1.82 0.00 0.00 55.36 53.06 2qqc s GLN 109 Cb -0.09 -0.42 0.02 0.00 -1.09 0.00 0.00 33.01 31.43 2qqc s GLN 109 CO 0.16 0.09 0.23 -0.47 -1.32 0.00 0.00 175.29 173.98 2qqc s TYR 110 N -1.02 -0.12 -0.02 9.60 5.04 -0.17 -4.98 117.35 125.67 2qqc s TYR 110 Ca -0.05 0.23 -0.13 0.00 -2.44 0.00 0.00 57.07 54.68 2qqc s TYR 110 Cb -0.08 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.29 2qqc s TYR 110 CO 0.00 -0.28 0.28 -1.83 -1.34 0.00 0.00 175.55 172.38 2qqc s GLU 111 N -0.94 0.60 0.00 4.97 1.03 -1.26 -0.89 118.70 122.22 2qqc s GLU 111 Ca -0.10 -0.17 0.00 0.00 0.03 0.00 0.00 54.97 54.73 2qqc s GLU 111 Cb -0.05 0.27 0.00 0.00 -0.80 0.00 0.00 34.13 33.54 2qqc s GLU 111 CO 0.02 -0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.20 2qqc n GLY 112 N 1.47 -0.01 3.47 -3.83 0.00 -0.38 -5.00 105.19 100.90 2qqc n GLY 112 Ca -0.21 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 2qqc n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqc s LYS 113 N -2.00 4.01 0.32 1.61 1.02 -1.26 -0.51 119.74 122.92 2qqc s LYS 113 Ca 0.00 -2.41 -0.19 0.00 0.02 0.00 0.00 55.97 53.40 2qqc s LYS 113 Cb 0.00 -5.08 0.05 0.00 -0.52 0.00 0.00 37.83 32.27 2qqc s LYS 113 CO 0.00 -1.81 0.80 0.00 -0.92 0.00 0.00 175.35 173.42 2qqc s SER 115 N -3.05 4.29 0.35 0.00 1.04 -1.26 -3.26 113.70 111.81 2qqc s SER 115 Ca 0.14 1.21 0.12 0.00 0.48 0.00 0.00 55.95 57.90 2qqc s SER 115 Cb -0.05 -1.91 0.65 0.00 0.10 0.00 0.00 66.02 64.82 2qqc s SER 115 CO 0.09 -2.09 1.79 0.07 0.98 0.00 0.00 173.24 174.08 2qqc h LYS 116 N -1.17 0.03 -0.40 4.02 2.10 -1.90 -1.87 116.57 117.38 2qqc h LYS 116 Ca -0.48 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.13 2qqc h LYS 116 Cb 1.28 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 2qqc h LYS 116 CO 0.60 0.42 0.14 -0.22 -2.00 0.00 0.00 179.45 178.40 2qqc h LYS 117 N 0.03 0.60 -0.33 0.07 3.64 -1.96 0.56 116.57 119.17 2qqc h LYS 117 Ca -0.00 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 2qqc h LYS 117 Cb 0.72 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2qqc h LYS 117 CO 0.05 0.59 -0.42 0.93 -2.27 0.00 0.00 179.45 178.33 2qqc h GLU 118 N 0.50 0.87 -0.25 1.90 4.39 -1.89 -1.53 114.58 118.56 2qqc h GLU 118 Ca 0.13 -0.49 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 2qqc h GLU 118 Cb 0.22 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2qqc h GLU 118 CO -0.01 1.14 0.15 0.00 -1.16 0.00 0.00 179.01 179.13 2qqc h ALA 119 N 0.72 0.32 -0.56 3.43 0.00 -1.18 0.98 119.26 122.96 2qqc h ALA 119 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2qqc h ALA 119 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2qqc h ALA 119 CO 0.10 -0.18 0.10 1.49 0.00 0.00 0.00 179.25 180.75 2qqc h GLU 120 N 0.32 0.93 -0.22 0.00 4.81 -0.87 0.77 114.58 120.32 2qqc h GLU 120 Ca 0.09 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2qqc h GLU 120 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2qqc h GLU 120 CO -0.02 0.89 0.06 -0.22 -0.73 0.00 0.00 179.01 178.99 2qqc h LYS 121 N 0.82 0.15 -0.38 1.92 3.64 -0.99 -1.31 116.57 120.42 2qqc h LYS 121 Ca 0.17 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2qqc h LYS 121 Cb 0.40 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2qqc h LYS 121 CO 0.01 0.10 0.18 1.15 -2.27 0.00 0.00 179.45 178.62 2qqc h THR 122 N 0.15 1.17 -0.07 1.00 2.02 -0.47 -2.33 112.91 114.38 2qqc h THR 122 Ca 0.10 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 2qqc h THR 122 Cb 0.08 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2qqc h THR 122 CO -0.11 0.18 -0.35 1.62 0.37 0.00 0.00 175.52 177.24 2qqc h VAL 123 N 0.48 1.27 -0.27 3.16 3.04 -0.64 -2.08 116.25 121.20 2qqc h VAL 123 Ca 0.13 -1.30 -0.16 0.00 -1.01 0.00 0.00 66.70 64.36 2qqc h VAL 123 Cb 0.12 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2qqc h VAL 123 CO -0.02 0.38 -0.49 0.03 -1.01 0.00 0.00 177.57 176.47 2qqc h ARG 124 N 0.13 0.74 -0.74 4.17 3.08 -1.08 -2.52 114.38 118.16 2qqc h ARG 124 Ca 0.02 -0.43 -0.06 0.00 0.07 0.00 0.00 59.98 59.58 2qqc h ARG 124 Cb 0.68 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2qqc h ARG 124 CO 0.05 1.06 0.24 1.49 -1.07 0.00 0.00 179.97 181.74 2qqc h GLU 125 N 0.58 1.14 -0.72 0.04 4.57 -1.11 -1.22 114.58 117.86 2qqc h GLU 125 Ca 0.03 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 2qqc h GLU 125 Cb 1.05 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 2qqc h GLU 125 CO 0.10 0.96 0.40 0.52 -1.18 0.00 0.00 179.01 179.82 2qqc h MET 126 N 1.09 0.99 -0.51 1.92 2.86 -1.26 0.28 114.93 120.30 2qqc h MET 126 Ca 0.24 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 2qqc h MET 126 Cb 0.29 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2qqc h MET 126 CO -0.01 0.72 -0.11 0.00 1.06 0.00 0.00 176.91 178.57 2qqc h ALA 127 N 1.44 0.70 -0.53 6.32 0.00 -0.97 -1.08 119.26 125.14 2qqc h ALA 127 Ca 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2qqc h ALA 127 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qqc h ALA 127 CO -0.04 0.61 0.22 -0.22 0.00 0.00 0.00 179.25 179.82 2qqc h LYS 128 N 0.84 0.78 -0.64 0.00 3.64 -0.54 -2.58 116.57 118.07 2qqc h LYS 128 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qqc h LYS 128 Cb 0.67 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2qqc h LYS 128 CO 0.05 0.68 0.36 0.82 -2.27 0.00 0.00 179.45 179.08 2qqc h ILE 129 N 0.71 1.20 -0.56 2.00 2.04 -0.75 -1.55 117.51 120.59 2qqc h ILE 129 Ca 0.18 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2qqc h ILE 129 Cb 0.18 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2qqc h ILE 129 CO -0.02 0.22 0.37 1.23 0.00 0.00 0.00 178.15 179.96 2qqc h GLY 130 N 0.87 0.73 1.95 5.37 0.00 -0.92 0.20 103.07 111.27 2qqc h GLY 130 Ca 0.23 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 2qqc h GLY 130 CO -0.04 0.22 -0.83 0.74 0.00 0.00 0.00 176.54 176.63 2qqc h PHE 131 N 0.64 0.07 -0.19 5.60 -1.00 -1.05 -2.77 116.94 118.23 2qqc h PHE 131 Ca 0.23 -0.04 -0.18 0.00 2.81 0.00 0.00 57.97 60.79 2qqc h PHE 131 Cb 0.11 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 2qqc h PHE 131 CO -0.00 0.85 -0.62 0.93 -1.61 0.00 0.00 178.31 177.86 2qqc h GLU 132 N 0.02 0.66 0.00 1.51 5.08 -0.19 0.66 114.58 122.32 2qqc h GLU 132 Ca -0.02 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2qqc h GLU 132 Cb 1.46 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 2qqc h GLU 132 CO 0.11 1.08 -0.06 0.52 -1.00 0.00 0.00 179.01 179.66 2qqc h MET 133 N 0.49 0.00 0.00 2.33 2.86 -0.61 -2.24 114.93 117.76 2qqc h MET 133 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2qqc h MET 133 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2qqc h MET 133 CO 0.12 0.06 -1.48 0.54 1.06 0.00 0.00 176.91 177.21 2qqc n ARG 134 N -3.24 0.60 -0.99 1.72 1.74 -1.01 -4.96 116.66 110.52 2qqc n ARG 134 Ca -0.01 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2qqc n ARG 134 Cb 0.27 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2qqc n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqc n GLY 135 N 1.24 0.39 3.84 -0.13 0.00 0.07 -5.03 105.19 105.55 2qqc n GLY 135 Ca -0.02 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2qqc n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qqc s TRP 136 N -2.00 3.72 -0.04 1.61 0.51 -0.28 -5.02 118.94 117.44 2qqc s TRP 136 Ca 0.00 1.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.71 2qqc s TRP 136 Cb 0.00 -2.32 -0.03 0.00 -0.81 0.00 0.00 33.47 30.31 2qqc s TRP 136 CO 0.00 0.61 1.06 -2.00 -0.51 0.00 0.00 176.95 176.11 2qqc s GLU 137 N -1.22 4.46 -0.07 4.98 2.12 -1.26 -4.56 118.70 123.14 2qqc s GLU 137 Ca 0.26 1.51 -0.25 0.00 0.36 0.00 0.00 54.97 56.85 2qqc s GLU 137 Cb -0.17 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2qqc s GLU 137 CO 0.15 -0.25 0.80 -1.17 -0.54 0.00 0.00 175.26 174.25 2qqc s LEU 138 N 1.59 4.30 -0.07 2.70 2.96 -1.26 -1.92 118.68 126.97 2qqc s LEU 138 Ca 0.52 1.30 -0.02 0.00 -0.22 0.00 0.00 54.13 55.72 2qqc s LEU 138 Cb -0.22 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2qqc s LEU 138 CO 0.24 -0.21 -0.03 -0.78 -1.32 0.00 0.00 176.35 174.24 2qqc h ASP 139 N 6.89 0.00 -5.11 3.68 1.82 -0.94 -3.43 116.42 119.32 2qqc h ASP 139 Ca -0.39 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.34 2qqc h ASP 139 Cb 1.19 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.15 2qqc h ASP 139 CO 0.77 0.36 0.33 0.00 -1.61 0.00 0.00 179.24 179.09 2qqc s ARG 140 N -1.47 1.69 -0.07 0.28 1.70 -1.15 -5.00 118.95 114.94 2qqc s ARG 140 Ca -0.03 -0.98 0.03 0.00 -0.47 0.00 0.00 55.73 54.28 2qqc s ARG 140 Cb 0.00 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 2qqc s ARG 140 CO 0.04 -0.78 -0.14 0.42 -1.08 0.00 0.00 175.30 173.76 2qqc s ILE 141 N -3.32 1.25 -0.09 4.99 1.01 -1.26 -0.84 121.20 122.93 2qqc s ILE 141 Ca 0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2qqc s ILE 141 Cb -0.04 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2qqc s ILE 141 CO 0.07 0.38 -0.06 -1.61 0.00 0.00 0.00 174.94 173.71 2qqc s GLU 142 N 0.60 3.03 0.17 2.79 2.02 -0.73 -4.94 118.70 121.64 2qqc s GLU 142 Ca -0.15 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.21 2qqc s GLU 142 Cb -0.16 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 2qqc s GLU 142 CO 0.04 0.53 0.30 -1.54 0.02 0.00 0.00 175.26 174.62 2qqc s SER 143 N -0.45 0.03 0.01 -0.19 1.04 -1.26 -0.23 113.70 112.64 2qqc s SER 143 Ca 0.07 -0.89 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 2qqc s SER 143 Cb -0.12 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2qqc s SER 143 CO 0.02 -0.92 0.25 -0.51 0.98 0.00 0.00 173.24 173.07 2qqc s ILE 144 N -3.98 0.08 0.07 -1.02 2.07 -0.63 -5.01 121.20 112.77 2qqc s ILE 144 Ca 0.18 -0.63 -0.17 0.00 -1.41 0.00 0.00 60.65 58.63 2qqc s ILE 144 Cb 0.03 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.97 2qqc s ILE 144 CO 0.01 -0.34 0.40 0.00 -1.91 0.00 0.00 174.94 173.10 2qqc s ALA 145 N -1.76 -0.96 0.01 1.50 0.00 -1.26 -1.41 121.76 117.88 2qqc s ALA 145 Ca -0.11 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 2qqc s ALA 145 Cb -0.04 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2qqc s ALA 145 CO 0.01 -0.50 0.05 0.54 0.00 0.00 0.00 175.76 175.86 2qqc s VAL 146 N -2.84 0.09 0.13 0.00 0.11 -0.49 -5.01 120.40 112.39 2qqc s VAL 146 Ca -0.03 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 2qqc s VAL 146 Cb -0.00 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2qqc s VAL 146 CO -0.05 -0.40 -0.14 -1.83 -3.33 0.00 0.00 175.10 169.35 2qqc s GLU 147 N -1.28 1.05 -0.02 1.54 -1.05 -1.26 -1.62 118.70 116.06 2qqc s GLU 147 Ca -0.14 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 2qqc s GLU 147 Cb -0.08 -0.92 0.02 0.00 -0.44 0.00 0.00 34.13 32.71 2qqc s GLU 147 CO 0.00 0.17 0.01 -1.58 0.95 0.00 0.00 175.26 174.82 2qqc s HIS 148 N -2.21 0.12 -0.35 4.83 2.46 0.18 -4.97 115.29 115.35 2qqc s HIS 148 Ca 0.10 0.05 -0.15 0.00 0.47 0.00 0.00 55.06 55.54 2qqc s HIS 148 Cb -0.04 -0.23 -0.01 0.00 -0.13 0.00 0.00 32.58 32.16 2qqc s HIS 148 CO 0.03 -0.07 0.34 0.99 -2.47 0.00 0.00 174.74 173.55 2qqc s THR 149 N 0.74 5.19 0.25 0.89 2.01 -1.26 -0.41 115.64 123.06 2qqc s THR 149 Ca -0.07 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2qqc s THR 149 Cb -0.10 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2qqc s THR 149 CO -0.02 -0.09 1.47 -0.69 -0.69 0.00 0.00 174.62 174.60 2qqc s VAL 150 N 1.95 2.56 -0.20 3.82 1.01 -0.04 -4.86 120.40 124.64 2qqc s VAL 150 Ca 0.10 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 2qqc s VAL 150 Cb -0.17 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 2qqc s VAL 150 CO 0.11 0.07 -0.32 1.21 0.00 0.00 0.00 175.10 176.18 2qqc n GLU 151 N 2.33 0.54 0.00 2.72 2.13 -1.26 0.44 120.64 127.54 2qqc n GLU 151 Ca 0.07 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2qqc n GLU 151 Cb 0.40 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.63 2qqc n GLU 151 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qqc n LYS 152 N -4.43 0.00 -3.15 5.31 4.81 -1.26 -4.40 118.16 115.04 2qqc n LYS 152 Ca -0.23 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.25 2qqc n LYS 152 Cb 0.59 -0.53 -0.01 0.00 0.02 0.00 0.00 35.03 35.10 2qqc n LYS 152 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2qqc s LEU 153 N -4.78 -1.18 0.27 3.14 0.20 -1.26 -4.46 118.68 110.60 2qqc s LEU 153 Ca 0.00 0.76 0.04 0.00 0.69 0.00 0.00 54.13 55.61 2qqc s LEU 153 Cb 0.00 2.00 -0.06 0.00 -0.43 0.00 0.00 46.19 47.70 2qqc s LEU 153 CO 0.00 -0.22 0.02 -0.83 -0.29 0.00 0.00 176.35 175.03 2qqc s GLY 154 N 2.88 1.79 -0.02 7.98 0.00 -0.51 -4.98 107.32 114.47 2qqc s GLY 154 Ca 0.16 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2qqc s GLY 154 CO -0.19 -1.73 -0.05 0.00 0.00 0.00 0.00 173.10 171.13 2qqc s ALA 156 N 0.29 2.83 -0.05 0.00 0.00 -0.75 -4.93 121.76 119.15 2qqc s ALA 156 Ca -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2qqc s ALA 156 Cb -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2qqc s ALA 156 CO -0.00 0.45 0.12 0.12 0.00 0.00 0.00 175.76 176.45 2qqc s PHE 157 N -0.39 -0.13 -0.00 0.00 5.36 -1.26 -2.10 117.98 119.45 2qqc s PHE 157 Ca 0.05 0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 2qqc s PHE 157 Cb -0.12 -0.02 -0.00 0.00 -0.34 0.00 0.00 43.02 42.54 2qqc s PHE 157 CO 0.02 -0.10 -0.03 0.00 -1.46 0.00 0.00 175.22 173.66 2qqc s ALA 158 N 0.50 0.23 0.19 11.12 0.00 -0.70 -4.83 121.76 128.27 2qqc s ALA 158 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 2qqc s ALA 158 Cb -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2qqc s ALA 158 CO -0.02 0.05 0.43 0.00 0.00 0.00 0.00 175.76 176.22 2qqc s ALA 159 N -0.09 -0.55 -0.29 0.00 0.00 -1.26 -1.40 121.76 118.17 2qqc s ALA 159 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2qqc s ALA 159 Cb -0.01 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.05 2qqc s ALA 159 CO -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 175.76 175.00 2qqc s ALA 160 N -3.91 2.42 -0.24 0.00 0.00 0.25 -4.97 121.76 115.31 2qqc s ALA 160 Ca 0.13 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 49.99 2qqc s ALA 160 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2qqc s ALA 160 CO -0.01 -1.43 0.45 0.00 0.00 0.00 0.00 175.76 174.77 2qqc s ALA 161 N 1.16 3.57 -0.10 0.00 0.00 -1.26 -1.64 121.76 123.49 2qqc s ALA 161 Ca 0.01 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 2qqc s ALA 161 Cb -0.19 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2qqc s ALA 161 CO -0.09 -0.56 0.47 -0.51 0.00 0.00 0.00 175.76 175.07 2qqc s LEU 162 N 1.88 4.31 0.00 0.00 1.02 -0.16 -5.03 118.68 120.70 2qqc s LEU 162 Ca 0.19 0.83 0.00 0.00 0.02 0.00 0.00 54.13 55.18 2qqc s LEU 162 Cb -0.15 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2qqc s LEU 162 CO 0.09 0.05 0.00 1.87 0.02 0.00 0.00 176.35 178.38 2qqc n TRP 163 N 3.40 0.00 -4.56 0.29 -0.00 -1.26 -4.00 117.44 111.31 2qqc n TRP 163 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.21 2qqc n TRP 163 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.68 2qqc n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2qqc s TYR 164 N -1.37 1.13 -2.00 5.87 2.02 -1.26 -5.12 117.35 116.62 2qqc s TYR 164 Ca 0.00 -0.22 0.09 0.00 -0.37 0.00 0.00 57.07 56.57 2qqc s TYR 164 Cb 0.00 -0.73 0.56 0.00 -0.40 0.00 0.00 41.96 41.39 2qqc s TYR 164 CO 0.00 -0.03 1.01 1.63 -1.57 0.00 0.00 175.55 176.59