#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 4.00 0.39 0.38 -2.45 -0.12 -4.92 119.30 116.58 2qqc s MET 55 Ca 0.00 0.51 -0.26 0.00 -1.25 0.00 0.00 55.69 54.69 2qqc s MET 55 Cb 0.00 -3.70 -0.11 0.00 1.25 0.00 0.00 34.83 32.27 2qqc s MET 55 CO 0.00 -0.55 1.17 -2.30 1.05 0.00 0.00 175.02 174.39 2qqc n PRO 56 N 5.93 1.74 -1.62 4.11 -0.02 -1.26 -0.93 135.00 142.95 2qqc n PRO 56 Ca 0.01 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2qqc n PRO 56 Cb 0.49 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.27 1.43 -0.63 0.52 -0.02 -1.26 -1.28 135.00 134.03 2qqc n PRO 57 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2qqc n PRO 57 Cb 0.38 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.26 0.00 -2.21 -0.52 -0.58 -1.26 -4.99 120.64 111.35 2qqc n GLU 58 Ca 0.09 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 2qqc n GLU 58 Cb 0.38 -3.18 0.01 0.00 -0.57 0.00 0.00 31.44 28.08 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 -2.62 2.67 0.00 0.62 0.00 -0.40 -5.03 121.76 117.00 2qqc s ALA 59 Ca 0.00 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2qqc s ALA 59 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2qqc s ALA 59 CO 0.00 -0.83 -0.08 -1.83 0.00 0.00 0.00 175.76 173.02 2qqc s GLU 60 N -3.34 2.52 -0.20 0.00 -1.05 -1.26 -5.00 118.70 110.37 2qqc s GLU 60 Ca 0.73 -0.74 -0.23 0.00 -0.15 0.00 0.00 54.97 54.58 2qqc s GLU 60 Cb -0.24 -2.48 -0.02 0.00 -0.44 0.00 0.00 34.13 30.95 2qqc s GLU 60 CO 0.28 0.60 0.75 0.42 0.95 0.00 0.00 175.26 178.26 2qqc s ILE 61 N -0.98 4.93 0.08 1.83 1.01 -1.26 -5.04 121.20 121.77 2qqc s ILE 61 Ca 0.17 1.43 0.02 0.00 0.00 0.00 0.00 60.65 62.26 2qqc s ILE 61 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2qqc s ILE 61 CO 0.07 0.04 -0.07 0.68 0.00 0.00 0.00 174.94 175.66 2qqc s VAL 62 N 2.23 0.64 0.49 2.92 -7.23 -1.26 -5.13 120.40 113.07 2qqc s VAL 62 Ca 0.33 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 2qqc s VAL 62 Cb -0.16 -1.35 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 2qqc s VAL 62 CO 0.10 -0.72 1.27 -2.16 -0.31 0.00 0.00 175.10 173.28 2qqc s PRO 63 N -3.13 3.53 -0.21 4.82 0.04 -1.26 -4.82 135.00 133.96 2qqc s PRO 63 Ca 0.05 2.02 -0.41 0.00 0.04 0.00 0.00 61.00 62.71 2qqc s PRO 63 Cb 0.01 -2.40 -0.17 0.00 0.04 0.00 0.00 34.50 31.98 2qqc s PRO 63 CO -0.03 -0.81 1.57 -0.11 0.04 0.00 0.00 177.00 177.66 2qqc n LEU 64 N -0.62 1.80 -4.93 -3.56 7.94 -1.26 -4.95 117.00 111.42 2qqc n LEU 64 Ca 0.08 1.11 -0.30 0.00 -1.11 0.00 0.00 56.01 55.80 2qqc n LEU 64 Cb 0.46 -1.09 0.19 0.00 0.53 0.00 0.00 43.42 43.51 2qqc n LEU 64 CO 0.51 -0.77 0.87 -2.16 -1.11 0.00 0.00 177.39 174.73 2qqc s PRO 65 N 2.46 0.61 -0.90 1.96 0.04 -1.26 -4.94 135.00 132.96 2qqc s PRO 65 Ca 0.96 -0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.30 2qqc s PRO 65 Cb -1.14 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 31.59 2qqc s PRO 65 CO 0.64 -2.43 1.38 0.21 0.04 0.00 0.00 177.00 176.84 2qqc s LYS 66 N -5.89 3.41 0.20 4.56 2.47 -1.26 -4.98 119.74 118.26 2qqc s LYS 66 Ca 0.74 -0.74 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 2qqc s LYS 66 Cb -0.04 -4.86 -0.08 0.00 -1.46 0.00 0.00 37.83 31.40 2qqc s LYS 66 CO 0.53 -2.19 1.02 -0.51 0.16 0.00 0.00 175.35 174.36 2qqc s LEU 67 N 5.33 4.55 0.28 5.43 1.43 -1.26 -5.01 118.68 129.44 2qqc s LEU 67 Ca 0.42 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 2qqc s LEU 67 Cb -0.03 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 2qqc s LEU 67 CO 0.01 -0.05 1.32 -2.16 0.23 0.00 0.00 176.35 175.69 2qqc s PRO 68 N -0.75 4.37 0.24 1.29 0.04 -1.26 -4.91 135.00 134.02 2qqc s PRO 68 Ca 0.45 2.16 -0.31 0.00 0.04 0.00 0.00 61.00 63.34 2qqc s PRO 68 Cb -0.28 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.02 2qqc s PRO 68 CO 0.34 -0.22 1.59 -1.33 0.04 0.00 0.00 177.00 177.42 2qqc n MET 69 N 1.62 2.52 -0.52 4.56 2.81 -1.26 -2.14 117.12 124.70 2qqc n MET 69 Ca 0.03 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 2qqc n MET 69 Cb 0.42 -2.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 2qqc n MET 69 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qqc n GLY 70 N 2.80 0.76 3.75 3.03 0.00 -1.26 -5.04 105.19 109.23 2qqc n GLY 70 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2qqc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqc s ALA 71 N -2.85 2.80 -0.91 4.61 0.00 -0.91 -4.93 121.76 119.58 2qqc s ALA 71 Ca 0.00 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 2qqc s ALA 71 Cb 0.00 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.76 2qqc s ALA 71 CO 0.00 -1.21 1.05 -0.51 0.00 0.00 0.00 175.76 175.09 2qqc s LEU 72 N -3.52 5.42 -0.33 0.00 1.43 -1.26 -5.01 118.68 115.41 2qqc s LEU 72 Ca 0.71 -2.18 -0.17 0.00 -1.03 0.00 0.00 54.13 51.46 2qqc s LEU 72 Cb -0.37 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2qqc s LEU 72 CO 0.43 -0.96 0.47 -0.69 0.23 0.00 0.00 176.35 175.83 2qqc s VAL 73 N 2.15 5.06 -0.02 -1.59 1.01 -1.26 -5.02 120.40 120.72 2qqc s VAL 73 Ca 0.29 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 2qqc s VAL 73 Cb -0.06 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2qqc s VAL 73 CO -0.09 -0.12 1.68 -2.84 0.00 0.00 0.00 175.10 173.73 2qqc s PRO 74 N 2.29 4.18 -0.02 2.72 0.02 -1.26 -4.89 135.00 138.04 2qqc s PRO 74 Ca 0.17 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.45 2qqc s PRO 74 Cb -0.16 -3.94 0.02 0.00 0.02 0.00 0.00 34.50 30.44 2qqc s PRO 74 CO 0.12 -0.83 -0.01 0.99 -0.33 0.00 0.00 177.00 176.94 2qqc s THR 75 N 3.83 0.24 -0.20 0.99 2.01 -1.26 -1.02 115.64 120.22 2qqc s THR 75 Ca 0.75 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.65 2qqc s THR 75 Cb -0.35 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2qqc s THR 75 CO 0.31 0.14 0.15 0.00 -0.69 0.00 0.00 174.62 174.53 2qqc s ALA 76 N 0.73 3.66 0.11 7.40 0.00 -0.73 -4.95 121.76 127.98 2qqc s ALA 76 Ca -0.08 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2qqc s ALA 76 Cb -0.11 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.81 2qqc s ALA 76 CO -0.01 0.08 0.33 1.52 0.00 0.00 0.00 175.76 177.68 2qqc s TYR 77 N 0.52 -0.09 0.01 0.00 -0.85 -1.26 -0.42 117.35 115.27 2qqc s TYR 77 Ca 0.09 -0.26 0.06 0.00 -0.52 0.00 0.00 57.07 56.43 2qqc s TYR 77 Cb -0.12 0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 2qqc s TYR 77 CO -0.00 -0.65 -0.17 0.20 -1.52 0.00 0.00 175.55 173.41 2qqc s GLY 78 N -2.81 0.87 0.11 5.49 0.00 0.10 -4.93 107.32 106.15 2qqc s GLY 78 Ca 0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.76 2qqc s GLY 78 CO -0.12 -0.73 0.43 -2.52 0.00 0.00 0.00 173.10 170.17 2qqc s TYR 79 N -0.59 -0.27 -0.11 1.90 -0.85 -1.26 -1.47 117.35 114.70 2qqc s TYR 79 Ca 0.05 0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.54 2qqc s TYR 79 Cb -0.07 0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.59 2qqc s TYR 79 CO 0.00 -0.68 0.33 -1.50 -1.52 0.00 0.00 175.55 172.18 2qqc s ILE 80 N -3.41 0.01 -0.01 -3.49 2.07 -0.82 -4.87 121.20 110.67 2qqc s ILE 80 Ca 0.00 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.25 2qqc s ILE 80 Cb 0.01 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 2qqc s ILE 80 CO -0.09 -0.03 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.07 2qqc s ILE 81 N 0.01 1.65 -0.05 2.00 1.01 -1.26 -1.88 121.20 122.67 2qqc s ILE 81 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 2qqc s ILE 81 Cb -0.03 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.08 2qqc s ILE 81 CO 0.01 0.43 0.17 -0.55 0.00 0.00 0.00 174.94 175.00 2qqc s SER 82 N -0.57 -0.14 -0.16 3.58 0.15 -0.54 -5.01 113.70 111.00 2qqc s SER 82 Ca 0.08 0.24 0.17 0.00 0.70 0.00 0.00 55.95 57.15 2qqc s SER 82 Cb -0.08 0.33 0.46 0.00 -1.71 0.00 0.00 66.02 65.01 2qqc s SER 82 CO -0.00 -0.12 1.34 -0.90 1.20 0.00 0.00 173.24 174.75 2qqc n ASP 83 N 2.67 3.40 -4.45 5.45 5.68 -1.26 -1.30 116.55 126.74 2qqc n ASP 83 Ca -0.15 -3.05 -0.44 0.00 -0.50 0.00 0.00 54.79 50.66 2qqc n ASP 83 Cb 0.58 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 2qqc n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2qqc s VAL 84 N -2.85 4.89 0.24 2.12 1.01 -1.26 -4.80 120.40 119.75 2qqc s VAL 84 Ca 0.39 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 2qqc s VAL 84 Cb 0.32 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 2qqc s VAL 84 CO 0.07 -0.78 1.03 -2.65 0.00 0.00 0.00 175.10 172.76 2qqc n PRO 85 N 6.14 1.20 0.00 2.72 -0.02 -1.26 -1.33 135.00 142.44 2qqc n PRO 85 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2qqc n PRO 85 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.55 2.45 3.76 -1.23 0.00 0.17 -4.96 105.19 106.92 2qqc n GLY 86 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 4.49 -0.28 1.61 2.12 -0.44 -4.66 118.70 121.54 2qqc s GLU 87 Ca 0.00 2.00 -0.10 0.00 0.36 0.00 0.00 54.97 57.23 2qqc s GLU 87 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2qqc s GLU 87 CO 0.00 -0.03 0.16 0.99 -0.54 0.00 0.00 175.26 175.85 2qqc s THR 88 N -0.89 5.02 0.11 -1.70 2.01 -1.26 -0.39 115.64 118.53 2qqc s THR 88 Ca 0.48 -0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.57 2qqc s THR 88 Cb -0.36 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2qqc s THR 88 CO 0.45 0.23 -0.19 0.27 -0.69 0.00 0.00 174.62 174.69 2qqc s ILE 89 N 1.71 2.77 0.07 1.82 -4.36 0.43 -3.43 121.20 120.20 2qqc s ILE 89 Ca 0.07 -1.50 -0.04 0.00 -0.26 0.00 0.00 60.65 58.92 2qqc s ILE 89 Cb -0.16 -2.25 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 2qqc s ILE 89 CO 0.09 0.12 0.06 -0.94 0.24 0.00 0.00 174.94 174.52 2qqc s SER 90 N -2.06 0.33 -0.02 4.36 1.04 -0.37 0.55 113.70 117.54 2qqc s SER 90 Ca 0.17 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 2qqc s SER 90 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2qqc s SER 90 CO 0.09 -0.66 0.10 0.00 0.98 0.00 0.00 173.24 173.76 2qqc s ALA 91 N -3.90 -0.25 0.04 5.32 0.00 -0.52 -1.65 121.76 120.80 2qqc s ALA 91 Ca 0.07 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 2qqc s ALA 91 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2qqc s ALA 91 CO -0.10 -0.13 0.18 0.00 0.00 0.00 0.00 175.76 175.71 2qqc s ALA 92 N -0.74 -0.32 0.01 0.00 0.00 0.29 -1.27 121.76 119.72 2qqc s ALA 92 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2qqc s ALA 92 Cb -0.05 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2qqc s ALA 92 CO 0.01 -0.36 -0.04 -1.50 0.00 0.00 0.00 175.76 173.86 2qqc s ILE 93 N -2.60 0.31 0.05 0.00 1.10 -0.78 -0.42 121.20 118.85 2qqc s ILE 93 Ca -0.05 -0.44 0.01 0.00 -0.51 0.00 0.00 60.65 59.66 2qqc s ILE 93 Cb -0.01 -0.32 -0.03 0.00 0.15 0.00 0.00 42.46 42.26 2qqc s ILE 93 CO -0.04 -0.09 -0.06 -0.94 -2.11 0.00 0.00 174.94 171.70 2qqc s SER 94 N -0.58 0.68 -0.16 4.50 1.04 0.36 -2.35 113.70 117.19 2qqc s SER 94 Ca -0.03 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 2qqc s SER 94 Cb -0.04 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.21 2qqc s SER 94 CO -0.00 -0.33 -0.00 -0.69 0.98 0.00 0.00 173.24 173.20 2qqc s VAL 95 N -2.13 0.72 -0.23 5.02 1.01 0.96 -0.93 120.40 124.82 2qqc s VAL 95 Ca -0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2qqc s VAL 95 Cb -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2qqc s VAL 95 CO -0.02 -0.01 0.51 0.00 0.00 0.00 0.00 175.10 175.58 2qqc s ALA 96 N 1.79 3.57 -0.19 5.51 0.00 0.10 -1.08 121.76 131.47 2qqc s ALA 96 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 2qqc s ALA 96 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 2qqc s ALA 96 CO -0.07 -0.59 0.09 0.42 0.00 0.00 0.00 175.76 175.61 2qqc s ILE 97 N 1.98 5.06 0.47 0.00 1.01 -0.16 -0.91 121.20 128.65 2qqc s ILE 97 Ca 0.22 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2qqc s ILE 97 Cb -0.15 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 2qqc s ILE 97 CO 0.09 0.45 0.90 -2.16 0.00 0.00 0.00 174.94 174.22 2qqc s PRO 98 N 0.38 3.88 0.06 2.79 0.04 -1.26 0.57 135.00 141.45 2qqc s PRO 98 Ca 0.05 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 2qqc s PRO 98 Cb -0.12 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 2qqc s PRO 98 CO -0.01 -0.18 1.32 0.87 0.04 0.00 0.00 177.00 179.04 2qqc h LYS 99 N 1.03 0.54 -6.15 4.56 1.79 -1.52 -3.40 116.57 113.43 2qqc h LYS 99 Ca -0.47 -0.35 -0.52 0.00 -2.18 0.00 0.00 60.65 57.13 2qqc h LYS 99 Cb 1.19 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.83 2qqc h LYS 99 CO 0.62 0.96 1.25 0.34 -1.08 0.00 0.00 179.45 181.55 2qqc s ASP 100 N -6.50 5.63 0.00 0.86 -1.08 -1.26 -4.84 116.67 109.47 2qqc s ASP 100 Ca -0.13 0.30 0.05 0.00 -0.52 0.00 0.00 52.55 52.26 2qqc s ASP 100 Cb 0.06 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.28 2qqc s ASP 100 CO 0.81 -2.10 0.91 0.29 0.52 0.00 0.00 175.17 175.60 2qqc n LYS 101 N 9.04 0.12 0.07 4.34 4.76 -1.26 -0.92 118.16 134.30 2qqc n LYS 101 Ca 0.16 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.85 2qqc n LYS 101 Cb 0.51 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 32.35 2qqc n LYS 101 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qqc h SER 102 N 0.00 0.00 -3.09 4.39 4.64 -1.94 -3.35 113.55 114.20 2qqc h SER 102 Ca 0.00 -0.18 -0.45 0.00 -0.47 0.00 0.00 61.79 60.69 2qqc h SER 102 Cb 0.03 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.18 2qqc h SER 102 CO 0.00 0.09 0.11 -0.76 -0.87 0.00 0.00 176.83 175.40 2qqc s LEU 103 N -4.40 3.02 0.43 5.97 1.43 -0.10 -4.81 118.68 120.22 2qqc s LEU 103 Ca 0.05 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2qqc s LEU 103 Cb 0.13 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2qqc s LEU 103 CO 0.73 -1.46 0.61 0.00 0.23 0.00 0.00 176.35 176.45 2qqc s GLY 105 N -4.27 1.39 -0.14 0.00 0.00 -0.11 -4.41 107.32 99.79 2qqc s GLY 105 Ca 0.50 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 2qqc s GLY 105 CO 0.35 -1.10 -0.10 -2.27 0.00 0.00 0.00 173.10 169.98 2qqc s LEU 106 N -3.80 2.91 -0.22 0.66 2.96 -0.09 -0.95 118.68 120.15 2qqc s LEU 106 Ca 0.35 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2qqc s LEU 106 Cb -0.10 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2qqc s LEU 106 CO 0.30 0.16 0.02 -0.63 -1.32 0.00 0.00 176.35 174.88 2qqc s ILE 107 N 0.37 4.01 0.05 6.68 1.01 -1.26 0.02 121.20 132.09 2qqc s ILE 107 Ca -0.08 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2qqc s ILE 107 Cb -0.15 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2qqc s ILE 107 CO 0.05 0.40 -0.17 -0.04 0.00 0.00 0.00 174.94 175.18 2qqc s MET 108 N 1.28 2.06 0.13 2.79 -1.94 -0.11 -4.74 119.30 118.78 2qqc s MET 108 Ca 0.04 -1.00 0.08 0.00 -1.71 0.00 0.00 55.69 53.11 2qqc s MET 108 Cb -0.15 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 2qqc s MET 108 CO 0.02 0.53 -0.20 1.14 -0.01 0.00 0.00 175.02 176.50 2qqc s GLN 109 N -1.60 1.20 -0.02 2.03 -2.07 -1.26 -0.49 119.66 117.44 2qqc s GLN 109 Ca 0.16 -1.27 -0.11 0.00 -1.82 0.00 0.00 55.36 52.32 2qqc s GLN 109 Cb -0.11 -1.39 0.02 0.00 -1.09 0.00 0.00 33.01 30.44 2qqc s GLN 109 CO 0.07 0.31 0.24 -0.47 -1.32 0.00 0.00 175.29 174.12 2qqc s TYR 110 N -1.50 -0.12 -0.12 9.60 5.04 0.44 -4.97 117.35 125.72 2qqc s TYR 110 Ca 0.10 0.19 -0.20 0.00 -2.44 0.00 0.00 57.07 54.73 2qqc s TYR 110 Cb -0.08 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.32 2qqc s TYR 110 CO 0.05 -0.31 0.49 -1.83 -1.34 0.00 0.00 175.55 172.61 2qqc s GLU 111 N -1.12 0.71 0.00 4.97 1.03 -1.26 -0.54 118.70 122.49 2qqc s GLU 111 Ca -0.12 0.38 0.00 0.00 0.03 0.00 0.00 54.97 55.26 2qqc s GLU 111 Cb -0.06 0.33 0.00 0.00 -0.80 0.00 0.00 34.13 33.61 2qqc s GLU 111 CO 0.03 -0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.21 2qqc n GLY 112 N 2.02 -1.26 3.06 -3.83 0.00 -0.66 -5.00 105.19 99.52 2qqc n GLY 112 Ca -0.17 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2qqc n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqc n LYS 113 N -0.05 4.28 -4.08 1.61 5.02 -1.26 -1.24 118.16 122.44 2qqc n LYS 113 Ca 0.00 -4.54 -0.14 0.00 -2.02 0.00 0.00 58.31 51.61 2qqc n LYS 113 Cb 0.00 -2.52 -0.04 0.00 -0.02 0.00 0.00 35.03 32.45 2qqc n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qqc s SER 115 N -3.21 4.54 0.15 0.00 1.04 -1.26 -3.81 113.70 111.15 2qqc s SER 115 Ca 0.30 1.43 -0.17 0.00 0.48 0.00 0.00 55.95 57.99 2qqc s SER 115 Cb -0.00 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.96 2qqc s SER 115 CO 0.18 -1.96 1.76 0.50 0.98 0.00 0.00 173.24 174.71 2qqc h LYS 116 N -1.08 0.27 -0.79 4.02 3.64 -1.92 -0.27 116.57 120.45 2qqc h LYS 116 Ca -0.46 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2qqc h LYS 116 Cb 1.26 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2qqc h LYS 116 CO 0.58 0.18 0.50 -0.22 -2.27 0.00 0.00 179.45 178.22 2qqc h LYS 117 N 0.28 0.95 -0.47 1.90 3.64 -1.97 -1.51 116.57 119.39 2qqc h LYS 117 Ca 0.14 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2qqc h LYS 117 Cb 0.09 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2qqc h LYS 117 CO -0.13 0.63 -0.22 0.93 -2.27 0.00 0.00 179.45 178.39 2qqc h GLU 118 N 0.98 0.98 -0.23 1.90 5.08 -1.82 -2.48 114.58 118.99 2qqc h GLU 118 Ca 0.32 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2qqc h GLU 118 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2qqc h GLU 118 CO -0.11 1.10 0.13 0.00 -1.00 0.00 0.00 179.01 179.12 2qqc h ALA 119 N 0.86 0.29 -0.63 3.43 0.00 -0.58 -1.54 119.26 121.09 2qqc h ALA 119 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2qqc h ALA 119 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2qqc h ALA 119 CO 0.07 -0.18 0.09 1.49 0.00 0.00 0.00 179.25 180.72 2qqc h GLU 120 N 0.26 1.04 -0.51 0.00 4.81 -1.28 -1.65 114.58 117.25 2qqc h GLU 120 Ca 0.08 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2qqc h GLU 120 Cb 0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2qqc h GLU 120 CO -0.01 0.97 0.21 -0.22 -0.73 0.00 0.00 179.01 179.22 2qqc h LYS 121 N 0.98 0.76 0.11 1.92 3.64 -1.29 -1.28 116.57 121.41 2qqc h LYS 121 Ca 0.19 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2qqc h LYS 121 Cb 0.44 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2qqc h LYS 121 CO 0.01 0.67 -0.06 1.15 -2.27 0.00 0.00 179.45 178.96 2qqc h THR 122 N 0.68 0.95 -0.11 1.00 2.02 -1.04 -1.96 112.91 114.45 2qqc h THR 122 Ca 0.17 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2qqc h THR 122 Cb 0.19 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2qqc h THR 122 CO -0.01 0.06 -0.14 1.62 0.37 0.00 0.00 175.52 177.42 2qqc h VAL 123 N -0.26 1.16 -0.32 3.16 3.04 -1.25 -0.55 116.25 121.23 2qqc h VAL 123 Ca -0.02 -0.73 -0.16 0.00 -1.01 0.00 0.00 66.70 64.79 2qqc h VAL 123 Cb 0.21 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2qqc h VAL 123 CO 0.03 0.22 -0.43 0.03 -1.01 0.00 0.00 177.57 176.41 2qqc h ARG 124 N 0.17 0.80 -0.57 4.17 3.08 -1.09 -2.30 114.38 118.65 2qqc h ARG 124 Ca 0.03 -0.44 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 2qqc h ARG 124 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2qqc h ARG 124 CO 0.02 1.07 -0.02 1.49 -1.07 0.00 0.00 179.97 181.46 2qqc h GLU 125 N 0.65 1.01 -0.96 0.04 4.57 -0.64 -2.23 114.58 117.01 2qqc h GLU 125 Ca 0.04 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2qqc h GLU 125 Cb 1.00 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.45 2qqc h GLU 125 CO 0.10 1.00 0.62 0.52 -1.18 0.00 0.00 179.01 180.07 2qqc h MET 126 N 0.92 1.28 -0.45 1.92 2.86 -0.95 -0.73 114.93 119.78 2qqc h MET 126 Ca 0.16 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2qqc h MET 126 Cb 0.57 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2qqc h MET 126 CO 0.03 0.87 0.03 0.00 1.06 0.00 0.00 176.91 178.90 2qqc h ALA 127 N 1.37 0.61 -0.44 6.32 0.00 -1.10 -1.61 119.26 124.41 2qqc h ALA 127 Ca 0.35 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qqc h ALA 127 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2qqc h ALA 127 CO -0.07 0.38 0.29 -0.22 0.00 0.00 0.00 179.25 179.62 2qqc h LYS 128 N 0.64 0.57 -0.99 0.00 3.64 -0.93 -1.97 116.57 117.53 2qqc h LYS 128 Ca 0.13 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2qqc h LYS 128 Cb 0.46 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2qqc h LYS 128 CO 0.02 0.37 0.65 0.82 -2.27 0.00 0.00 179.45 179.05 2qqc h ILE 129 N 0.58 1.23 -0.70 2.00 2.04 -0.99 -0.38 117.51 121.29 2qqc h ILE 129 Ca 0.16 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.62 2qqc h ILE 129 Cb -0.06 -0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 35.78 2qqc h ILE 129 CO -0.04 0.24 0.42 1.23 0.00 0.00 0.00 178.15 180.00 2qqc h GLY 130 N 1.32 1.03 1.44 5.37 0.00 -0.58 0.14 103.07 111.78 2qqc h GLY 130 Ca 0.37 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 2qqc h GLY 130 CO -0.09 0.22 -0.47 0.74 0.00 0.00 0.00 176.54 176.95 2qqc h PHE 131 N 0.79 0.74 -0.72 5.60 -1.00 -0.74 -2.59 116.94 119.02 2qqc h PHE 131 Ca 0.30 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 2qqc h PHE 131 Cb 0.11 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2qqc h PHE 131 CO -0.06 0.96 0.31 0.93 -1.61 0.00 0.00 178.31 178.84 2qqc h GLU 132 N 0.48 1.06 -0.26 1.51 5.08 -0.34 0.53 114.58 122.64 2qqc h GLU 132 Ca 0.03 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2qqc h GLU 132 Cb 1.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2qqc h GLU 132 CO 0.09 0.86 0.04 0.52 -1.00 0.00 0.00 179.01 179.52 2qqc h MET 133 N 1.02 0.38 0.00 2.33 2.86 -0.59 -1.90 114.93 119.03 2qqc h MET 133 Ca 0.24 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2qqc h MET 133 Cb 0.18 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2qqc h MET 133 CO -0.02 0.37 -0.92 0.00 1.06 0.00 0.00 176.91 177.40 2qqc h ARG 134 N 0.37 0.00 -0.10 1.72 3.08 -1.00 -3.48 114.38 114.97 2qqc h ARG 134 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2qqc h ARG 134 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qqc h ARG 134 CO -0.00 0.25 -0.02 0.41 -1.07 0.00 0.00 179.97 179.54 2qqc n GLY 135 N 1.27 0.36 3.90 0.04 0.00 0.18 -5.04 105.19 105.89 2qqc n GLY 135 Ca -0.03 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.04 3.54 -0.04 1.61 0.51 -0.81 -5.02 118.94 116.69 2qqc s TRP 136 Ca 0.00 0.48 -0.30 0.00 -2.12 0.00 0.00 56.10 54.16 2qqc s TRP 136 Cb 0.00 -1.93 -0.03 0.00 -0.81 0.00 0.00 33.47 30.70 2qqc s TRP 136 CO 0.00 0.58 1.17 -2.00 -0.51 0.00 0.00 176.95 176.19 2qqc s GLU 137 N -2.09 4.38 0.09 4.98 2.12 -1.26 -4.66 118.70 122.26 2qqc s GLU 137 Ca 0.31 1.64 -0.26 0.00 0.36 0.00 0.00 54.97 57.03 2qqc s GLU 137 Cb -0.13 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 2qqc s GLU 137 CO 0.20 -0.38 0.80 -1.17 -0.54 0.00 0.00 175.26 174.17 2qqc s LEU 138 N 1.94 4.49 -0.20 2.70 2.96 -1.26 -1.48 118.68 127.83 2qqc s LEU 138 Ca 0.55 1.55 -0.18 0.00 -0.22 0.00 0.00 54.13 55.83 2qqc s LEU 138 Cb -0.24 -3.30 -0.15 0.00 0.50 0.00 0.00 46.19 43.00 2qqc s LEU 138 CO 0.23 0.06 0.05 -0.67 -1.32 0.00 0.00 176.35 174.70 2qqc n ASP 139 N 2.48 1.86 -3.63 3.68 4.64 0.19 -4.63 116.55 121.15 2qqc n ASP 139 Ca -0.03 0.46 -0.01 0.00 -1.38 0.00 0.00 54.79 53.83 2qqc n ASP 139 Cb 0.50 -0.92 -0.01 0.00 -1.04 0.00 0.00 41.12 39.64 2qqc n ASP 139 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qqc s ARG 140 N -2.37 0.55 -0.07 -0.67 1.70 -1.15 -5.01 118.95 111.93 2qqc s ARG 140 Ca -0.27 -0.28 0.04 0.00 -0.47 0.00 0.00 55.73 54.75 2qqc s ARG 140 Cb 0.06 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 2qqc s ARG 140 CO 0.50 -0.25 -0.20 0.42 -1.08 0.00 0.00 175.30 174.68 2qqc s ILE 141 N -2.63 1.73 -0.06 4.99 1.01 -1.26 -0.99 121.20 123.99 2qqc s ILE 141 Ca 0.12 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2qqc s ILE 141 Cb 0.02 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2qqc s ILE 141 CO -0.03 0.49 -0.09 -1.61 0.00 0.00 0.00 174.94 173.69 2qqc s GLU 142 N 0.26 2.69 0.24 2.79 2.02 -0.24 -4.94 118.70 121.51 2qqc s GLU 142 Ca -0.12 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.09 2qqc s GLU 142 Cb -0.15 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.57 2qqc s GLU 142 CO 0.05 0.64 0.60 -1.54 0.02 0.00 0.00 175.26 175.04 2qqc s SER 143 N -0.76 -0.25 0.15 -0.19 1.04 -1.26 -0.03 113.70 112.41 2qqc s SER 143 Ca 0.12 -0.59 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 2qqc s SER 143 Cb -0.11 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.70 2qqc s SER 143 CO 0.01 -1.18 0.51 0.27 0.98 0.00 0.00 173.24 173.83 2qqc s ILE 144 N -3.91 0.03 0.22 -1.02 -4.36 -0.99 -5.03 121.20 106.13 2qqc s ILE 144 Ca 0.12 -0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.02 2qqc s ILE 144 Cb -0.03 -1.15 0.01 0.00 1.25 0.00 0.00 42.46 42.53 2qqc s ILE 144 CO 0.03 -0.14 0.47 0.00 0.24 0.00 0.00 174.94 175.54 2qqc s ALA 145 N -3.79 -0.51 -0.04 2.27 0.00 -1.26 -1.86 121.76 116.56 2qqc s ALA 145 Ca 0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 2qqc s ALA 145 Cb 0.00 0.94 0.03 0.00 0.00 0.00 0.00 23.12 24.09 2qqc s ALA 145 CO -0.11 -0.81 0.34 0.54 0.00 0.00 0.00 175.76 175.72 2qqc s VAL 146 N -3.95 0.04 0.13 0.00 0.11 -0.40 -5.00 120.40 111.33 2qqc s VAL 146 Ca 0.16 -0.35 0.07 0.00 -2.93 0.00 0.00 61.98 58.92 2qqc s VAL 146 Cb -0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2qqc s VAL 146 CO 0.03 -0.19 -0.16 -1.83 -3.33 0.00 0.00 175.10 169.62 2qqc s GLU 147 N -1.00 1.07 -0.04 1.54 -1.05 -1.26 -1.44 118.70 116.53 2qqc s GLU 147 Ca -0.11 -1.25 -0.02 0.00 -0.15 0.00 0.00 54.97 53.45 2qqc s GLU 147 Cb -0.04 -1.03 0.02 0.00 -0.44 0.00 0.00 34.13 32.64 2qqc s GLU 147 CO 0.04 0.21 0.08 -1.58 0.95 0.00 0.00 175.26 174.95 2qqc s HIS 148 N -1.97 -0.07 -0.36 4.83 2.46 0.19 -4.97 115.29 115.40 2qqc s HIS 148 Ca 0.09 0.25 -0.13 0.00 0.47 0.00 0.00 55.06 55.74 2qqc s HIS 148 Cb -0.06 -0.09 -0.00 0.00 -0.13 0.00 0.00 32.58 32.30 2qqc s HIS 148 CO 0.04 -0.09 0.25 0.99 -2.47 0.00 0.00 174.74 173.46 2qqc s THR 149 N 0.69 5.17 0.23 0.89 2.01 -1.26 -0.43 115.64 122.94 2qqc s THR 149 Ca -0.05 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 2qqc s THR 149 Cb -0.08 -3.74 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2qqc s THR 149 CO -0.03 -0.12 1.62 -0.69 -0.69 0.00 0.00 174.62 174.72 2qqc s VAL 150 N 1.69 2.25 -0.15 3.82 1.01 0.47 -4.85 120.40 124.64 2qqc s VAL 150 Ca 0.05 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 2qqc s VAL 150 Cb -0.18 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2qqc s VAL 150 CO 0.10 0.02 -0.25 -0.62 0.00 0.00 0.00 175.10 174.35 2qqc n GLU 151 N 3.27 0.46 0.04 2.72 1.02 -1.26 0.43 120.64 127.33 2qqc n GLU 151 Ca 0.12 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2qqc n GLU 151 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2qqc n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qqc n LYS 152 N -4.39 0.00 -3.54 3.49 4.01 -1.26 -4.40 118.16 112.07 2qqc n LYS 152 Ca -0.10 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.59 2qqc n LYS 152 Cb 0.38 -0.41 -0.10 0.00 -0.51 0.00 0.00 35.03 34.38 2qqc n LYS 152 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2qqc s LEU 153 N -6.50 -0.49 0.23 -0.35 2.96 -1.26 -4.33 118.68 108.93 2qqc s LEU 153 Ca 0.00 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2qqc s LEU 153 Cb 0.00 0.99 -0.05 0.00 0.50 0.00 0.00 46.19 47.63 2qqc s LEU 153 CO 0.00 -0.27 -0.01 -0.83 -1.32 0.00 0.00 176.35 173.92 2qqc s GLY 154 N 2.51 1.52 -0.01 7.98 0.00 -0.42 -4.99 107.32 113.91 2qqc s GLY 154 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2qqc s GLY 154 CO -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 173.10 171.32 2qqc s ALA 156 N 0.50 2.87 -0.03 0.00 0.00 -0.79 -4.94 121.76 119.37 2qqc s ALA 156 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2qqc s ALA 156 Cb -0.06 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2qqc s ALA 156 CO -0.01 0.43 0.06 0.12 0.00 0.00 0.00 175.76 176.36 2qqc s PHE 157 N -0.33 -0.05 -0.00 0.00 5.36 -1.26 -1.95 117.98 119.75 2qqc s PHE 157 Ca 0.04 0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2qqc s PHE 157 Cb -0.13 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 2qqc s PHE 157 CO 0.02 -0.06 0.01 0.00 -1.46 0.00 0.00 175.22 173.73 2qqc s ALA 158 N 0.44 -0.01 0.20 11.12 0.00 -0.54 -4.85 121.76 128.12 2qqc s ALA 158 Ca -0.03 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 2qqc s ALA 158 Cb -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2qqc s ALA 158 CO -0.02 -0.01 0.51 0.00 0.00 0.00 0.00 175.76 176.24 2qqc s ALA 159 N 0.06 -0.84 -0.26 0.00 0.00 -1.26 -0.72 121.76 118.74 2qqc s ALA 159 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2qqc s ALA 159 Cb -0.01 0.86 0.07 0.00 0.00 0.00 0.00 23.12 24.04 2qqc s ALA 159 CO -0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 175.76 174.89 2qqc s ALA 160 N -3.89 2.33 -0.19 0.00 0.00 0.44 -4.97 121.76 115.48 2qqc s ALA 160 Ca 0.11 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 2qqc s ALA 160 Cb -0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2qqc s ALA 160 CO -0.02 -1.27 0.32 0.00 0.00 0.00 0.00 175.76 174.79 2qqc s ALA 161 N 1.21 3.58 -0.15 0.00 0.00 -1.26 -1.78 121.76 123.36 2qqc s ALA 161 Ca -0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 2qqc s ALA 161 Cb -0.19 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2qqc s ALA 161 CO -0.07 -0.13 0.38 -0.51 0.00 0.00 0.00 175.76 175.43 2qqc s LEU 162 N 0.94 4.24 0.00 0.00 1.02 -0.19 -5.03 118.68 119.67 2qqc s LEU 162 Ca 0.16 0.62 0.00 0.00 0.02 0.00 0.00 54.13 54.93 2qqc s LEU 162 Cb -0.14 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.56 2qqc s LEU 162 CO 0.06 0.04 0.00 1.87 0.02 0.00 0.00 176.35 178.34 2qqc n TRP 163 N 3.74 0.00 -5.01 0.29 -0.00 -1.26 -4.02 117.44 111.18 2qqc n TRP 163 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.13 2qqc n TRP 163 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.67 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 -1.27 1.92 -2.00 5.87 2.02 -1.26 -5.10 117.35 117.52 2qqc s TYR 164 Ca 0.00 -0.36 0.15 0.00 -0.37 0.00 0.00 57.07 56.48 2qqc s TYR 164 Cb 0.00 -1.22 0.88 0.00 -0.40 0.00 0.00 41.96 41.22 2qqc s TYR 164 CO 0.00 -0.02 1.30 0.36 -1.57 0.00 0.00 175.55 175.62