#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi9 s ILE 2 N 0.00 4.72 -0.15 0.53 1.01 -1.26 -5.00 121.20 121.05 3gi9 s ILE 2 Ca 0.00 1.91 -0.22 0.00 0.00 0.00 0.00 60.65 62.34 3gi9 s ILE 2 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3gi9 s ILE 2 CO 0.00 -0.15 0.65 -0.69 0.00 0.00 0.00 174.94 174.75 3gi9 s VAL 3 N 3.08 5.03 -0.16 2.92 1.01 -1.26 -4.76 120.40 126.26 3gi9 s VAL 3 Ca 0.42 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 3gi9 s VAL 3 Cb -0.15 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3gi9 s VAL 3 CO 0.07 0.16 0.03 -0.04 0.00 0.00 0.00 175.10 175.32 3gi9 s MET 4 N 1.50 3.75 -0.11 2.72 1.00 -1.26 -1.62 119.30 125.28 3gi9 s MET 4 Ca 0.31 -0.39 0.01 0.00 0.00 0.00 0.00 55.69 55.62 3gi9 s MET 4 Cb -0.16 -3.07 0.02 0.00 0.00 0.00 0.00 34.83 31.61 3gi9 s MET 4 CO 0.12 0.34 -0.11 0.99 0.00 0.00 0.00 175.02 176.37 3gi9 s THR 5 N 0.15 1.19 0.08 2.05 2.01 0.91 -4.42 115.64 117.61 3gi9 s THR 5 Ca 0.03 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.66 3gi9 s THR 5 Cb -0.13 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3gi9 s THR 5 CO 0.01 0.39 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.17 3gi9 s GLN 6 N 1.36 2.36 -0.19 4.92 -0.21 -1.26 0.34 119.66 126.99 3gi9 s GLN 6 Ca -0.01 -0.90 -0.17 0.00 0.02 0.00 0.00 55.36 54.31 3gi9 s GLN 6 Cb -0.14 -2.43 0.05 0.00 1.00 0.00 0.00 33.01 31.50 3gi9 s GLN 6 CO -0.05 0.54 0.50 0.45 -2.12 0.00 0.00 175.29 174.60 3gi9 s SER 7 N -2.10 -0.53 0.92 5.90 0.15 -0.57 -4.70 113.70 112.76 3gi9 s SER 7 Ca 0.22 1.02 -0.10 0.00 0.70 0.00 0.00 55.95 57.78 3gi9 s SER 7 Cb -0.11 1.02 0.17 0.00 -1.71 0.00 0.00 66.02 65.39 3gi9 s SER 7 CO 0.14 -0.18 1.06 -0.81 1.20 0.00 0.00 173.24 174.66 3gi9 n PRO 8 N 2.93 -0.82 -0.03 5.44 -0.04 -1.26 -0.70 135.00 140.52 3gi9 n PRO 8 Ca -0.14 -1.91 -0.12 0.00 -0.04 0.00 0.00 63.50 61.28 3gi9 n PRO 8 Cb 0.56 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 32.94 3gi9 n PRO 8 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gi9 h SER 9 N -1.24 0.19 -5.04 3.54 4.64 -1.85 -3.41 113.55 110.39 3gi9 h SER 9 Ca -0.35 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 60.51 3gi9 h SER 9 Cb 1.02 -0.05 -0.16 0.00 -0.31 0.00 0.00 62.40 62.90 3gi9 h SER 9 CO 0.27 0.54 -0.05 -0.94 -0.87 0.00 0.00 176.83 175.78 3gi9 s SER 10 N -5.80 -0.33 -0.14 4.97 1.04 -1.26 -1.70 113.70 110.49 3gi9 s SER 10 Ca -0.15 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 3gi9 s SER 10 Cb 0.04 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.66 3gi9 s SER 10 CO 0.71 -0.72 0.35 -1.48 0.98 0.00 0.00 173.24 173.08 3gi9 s LEU 11 N -2.16 0.48 -0.32 2.42 2.34 -0.31 -4.94 118.68 116.20 3gi9 s LEU 11 Ca -0.04 0.72 -0.10 0.00 0.06 0.00 0.00 54.13 54.78 3gi9 s LEU 11 Cb -0.00 1.18 -0.01 0.00 -0.56 0.00 0.00 46.19 46.80 3gi9 s LEU 11 CO -0.04 -0.14 0.16 0.00 -1.06 0.00 0.00 176.35 175.27 3gi9 s ALA 12 N 0.55 3.30 -0.01 1.48 0.00 -1.26 -2.11 121.76 123.71 3gi9 s ALA 12 Ca -0.03 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.60 3gi9 s ALA 12 Cb -0.04 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 3gi9 s ALA 12 CO -0.03 -0.92 -0.19 -1.64 0.00 0.00 0.00 175.76 172.97 3gi9 s MET 13 N 1.62 1.52 0.53 0.00 -1.94 -0.53 -4.80 119.30 115.71 3gi9 s MET 13 Ca 0.05 -0.72 -0.09 0.00 -1.71 0.00 0.00 55.69 53.22 3gi9 s MET 13 Cb -0.17 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.13 3gi9 s MET 13 CO 0.07 0.41 0.89 -1.54 -0.01 0.00 0.00 175.02 174.83 3gi9 s SER 14 N -0.56 6.29 0.22 3.03 1.04 -1.26 -0.58 113.70 121.89 3gi9 s SER 14 Ca 0.07 1.17 -0.32 0.00 0.48 0.00 0.00 55.95 57.36 3gi9 s SER 14 Cb -0.08 -2.35 -0.13 0.00 0.10 0.00 0.00 66.02 63.56 3gi9 s SER 14 CO -0.00 -0.68 1.62 0.52 0.98 0.00 0.00 173.24 175.68 3gi9 n VAL 15 N -2.33 0.37 0.00 5.02 0.31 -1.26 -2.44 118.33 118.01 3gi9 n VAL 15 Ca 0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3gi9 n VAL 15 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3gi9 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gi9 n GLY 16 N 3.16 2.18 3.80 2.92 0.00 -0.14 -4.94 105.19 112.17 3gi9 n GLY 16 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3gi9 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi9 s GLN 17 N -0.88 2.84 -0.13 1.61 -0.21 -1.02 -4.44 119.66 117.42 3gi9 s GLN 17 Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 55.36 56.45 3gi9 s GLN 17 Cb 0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 3gi9 s GLN 17 CO 0.00 -1.19 0.11 0.21 -2.12 0.00 0.00 175.29 172.30 3gi9 s LYS 18 N -4.63 3.55 0.06 2.91 2.20 -1.24 -1.55 119.74 121.04 3gi9 s LYS 18 Ca 0.61 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 3gi9 s LYS 18 Cb -0.16 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 3gi9 s LYS 18 CO 0.49 0.63 -0.08 0.14 -0.36 0.00 0.00 175.35 176.17 3gi9 s VAL 19 N -0.62 0.63 -0.21 4.02 -7.23 -0.27 -5.01 120.40 111.71 3gi9 s VAL 19 Ca 0.12 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 3gi9 s VAL 19 Cb -0.12 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.87 3gi9 s VAL 19 CO 0.02 -0.54 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.30 3gi9 s THR 20 N -2.13 1.56 -0.08 5.32 2.01 -1.26 -0.85 115.64 120.21 3gi9 s THR 20 Ca -0.02 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 3gi9 s THR 20 Cb -0.05 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 3gi9 s THR 20 CO -0.01 0.07 0.29 -0.76 -0.69 0.00 0.00 174.62 173.53 3gi9 s LEU 21 N 1.41 4.38 0.08 4.42 1.43 -0.02 -4.78 118.68 125.59 3gi9 s LEU 21 Ca -0.03 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 3gi9 s LEU 21 Cb -0.17 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3gi9 s LEU 21 CO -0.07 0.29 -0.12 -0.94 0.23 0.00 0.00 176.35 175.74 3gi9 s SER 22 N -0.62 4.28 -0.03 2.29 1.04 0.13 -0.64 113.70 120.14 3gi9 s SER 22 Ca 0.19 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.26 3gi9 s SER 22 Cb -0.14 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.18 3gi9 s SER 22 CO 0.08 0.21 -0.03 0.00 0.98 0.00 0.00 173.24 174.48 3gi9 s LYS 24 N 0.64 1.58 0.09 0.00 2.36 0.15 -0.57 119.74 124.00 3gi9 s LYS 24 Ca -0.07 -0.78 0.09 0.00 -2.55 0.00 0.00 55.97 52.66 3gi9 s LYS 24 Cb -0.11 -1.57 -0.04 0.00 -1.05 0.00 0.00 37.83 35.07 3gi9 s LYS 24 CO -0.01 0.42 -0.23 -1.54 1.55 0.00 0.00 175.35 175.55 3gi9 s SER 25 N -0.66 3.51 0.49 1.43 1.04 -0.27 -0.07 113.70 119.17 3gi9 s SER 25 Ca 0.08 -0.61 0.28 0.00 0.48 0.00 0.00 55.95 56.18 3gi9 s SER 25 Cb -0.08 -0.38 1.05 0.00 0.10 0.00 0.00 66.02 66.70 3gi9 s SER 25 CO -0.00 0.21 1.87 0.77 0.98 0.00 0.00 173.24 177.07 3gi9 h SER 26 N 4.16 0.00 -3.91 7.02 4.64 -1.64 -3.45 113.55 120.38 3gi9 h SER 26 Ca -0.49 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.35 3gi9 h SER 26 Cb 1.16 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 3gi9 h SER 26 CO 0.43 0.11 -0.78 -1.10 -0.87 0.00 0.00 176.83 174.62 3gi9 s GLN 27 N -3.60 1.13 0.28 4.77 -0.21 -1.26 -4.98 119.66 115.78 3gi9 s GLN 27 Ca 0.02 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 53.82 3gi9 s GLN 27 Cb 0.09 -1.16 -0.11 0.00 1.00 0.00 0.00 33.01 32.84 3gi9 s GLN 27 CO 0.60 0.24 1.53 0.45 -2.12 0.00 0.00 175.29 175.99 3gi9 s SER 28 N -2.39 6.48 -0.09 5.90 0.15 -1.26 -4.65 113.70 117.84 3gi9 s SER 28 Ca 0.10 2.85 0.18 0.00 0.70 0.00 0.00 55.95 59.77 3gi9 s SER 28 Cb -0.06 -2.63 0.63 0.00 -1.71 0.00 0.00 66.02 62.25 3gi9 s SER 28 CO 0.05 -0.83 1.55 0.18 1.20 0.00 0.00 173.24 175.38 3gi9 n LEU 29 N 2.21 4.32 -4.61 3.45 4.77 -0.18 -4.94 117.00 122.02 3gi9 n LEU 29 Ca 0.07 -2.38 -0.40 0.00 -0.03 0.00 0.00 56.01 53.27 3gi9 n LEU 29 Cb 0.38 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 3gi9 n LEU 29 CO 0.62 0.81 0.19 -0.22 -1.33 0.00 0.00 177.39 177.46 3gi9 s LEU 30 N -1.72 4.07 -0.44 2.23 2.96 -1.26 -0.96 118.68 123.56 3gi9 s LEU 30 Ca 0.46 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 3gi9 s LEU 30 Cb 0.29 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.43 3gi9 s LEU 30 CO 0.23 -0.27 1.12 0.21 -1.32 0.00 0.00 176.35 176.32 3gi9 s ASN 31 N 1.60 6.70 0.45 3.68 3.84 -0.55 -4.93 114.94 125.73 3gi9 s ASN 31 Ca 0.19 0.60 0.18 0.00 0.21 0.00 0.00 52.86 54.04 3gi9 s ASN 31 Cb -0.16 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.12 3gi9 s ASN 31 CO 0.10 -1.17 1.94 0.71 -2.79 0.00 0.00 177.10 175.89 3gi9 h THR 32 N 6.12 0.80 0.17 -5.21 1.35 -1.96 0.26 112.91 114.43 3gi9 h THR 32 Ca -0.22 -0.11 -0.35 0.00 -0.55 0.00 0.00 66.41 65.17 3gi9 h THR 32 Cb 1.06 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3gi9 h THR 32 CO 1.11 0.06 -1.80 0.77 -0.25 0.00 0.00 175.52 175.40 3gi9 h SER 33 N 0.32 0.55 -0.22 5.36 4.64 -1.98 -3.38 113.55 118.85 3gi9 h SER 33 Ca 0.33 -0.91 -0.11 0.00 -0.47 0.00 0.00 61.79 60.63 3gi9 h SER 33 Cb 0.84 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3gi9 h SER 33 CO -0.09 1.78 -0.25 0.78 -0.87 0.00 0.00 176.83 178.18 3gi9 h ASN 34 N 0.10 0.70 -0.43 4.97 -0.26 -1.70 -3.47 115.58 115.49 3gi9 h ASN 34 Ca -0.36 -0.26 -0.19 0.00 -0.56 0.00 0.00 56.30 54.94 3gi9 h ASN 34 Cb 2.08 -0.19 -0.07 0.00 -1.06 0.00 0.00 38.32 39.07 3gi9 h ASN 34 CO 0.15 0.93 -0.17 0.00 -1.06 0.00 0.00 177.43 177.29 3gi9 n GLN 35 N -4.10 -0.78 -4.28 0.81 1.13 0.81 -5.03 117.38 105.95 3gi9 n GLN 35 Ca -0.00 0.78 -0.32 0.00 -1.94 0.00 0.00 57.00 55.52 3gi9 n GLN 35 Cb 0.44 -4.70 -0.09 0.00 0.11 0.00 0.00 30.24 26.00 3gi9 n GLN 35 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gi9 s LYS 36 N -2.62 2.77 -0.28 -1.09 -0.14 -1.25 -4.93 119.74 112.20 3gi9 s LYS 36 Ca 0.00 -0.62 -0.10 0.00 -1.36 0.00 0.00 55.97 53.88 3gi9 s LYS 36 Cb 0.00 -2.66 -0.05 0.00 -1.68 0.00 0.00 37.83 33.44 3gi9 s LYS 36 CO 0.00 0.62 0.17 -0.80 -0.76 0.00 0.00 175.35 174.58 3gi9 s ASN 37 N -1.60 5.86 -1.29 2.83 -0.87 -1.26 -1.48 114.94 117.13 3gi9 s ASN 37 Ca 0.20 -0.06 -0.11 0.00 -1.57 0.00 0.00 52.86 51.32 3gi9 s ASN 37 Cb -0.12 -2.09 0.15 0.00 -0.02 0.00 0.00 41.25 39.18 3gi9 s ASN 37 CO 0.11 -0.05 1.85 -1.22 -2.57 0.00 0.00 177.10 175.22 3gi9 n TYR 38 N 5.04 3.33 -4.45 2.20 0.53 -0.13 -2.67 117.16 121.00 3gi9 n TYR 38 Ca -0.14 -2.89 -0.22 0.00 -1.02 0.00 0.00 57.90 53.63 3gi9 n TYR 38 Cb 0.52 -2.07 -0.16 0.00 -1.03 0.00 0.00 39.34 36.60 3gi9 n TYR 38 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3gi9 s LEU 39 N 0.47 1.70 0.17 7.72 2.96 -1.26 -1.33 118.68 129.11 3gi9 s LEU 39 Ca 0.41 -0.22 0.10 0.00 -0.22 0.00 0.00 54.13 54.21 3gi9 s LEU 39 Cb 0.08 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 3gi9 s LEU 39 CO -0.00 0.05 -0.19 0.00 -1.32 0.00 0.00 176.35 174.88 3gi9 s ALA 40 N 0.39 2.66 -0.01 5.97 0.00 0.13 -0.72 121.76 130.17 3gi9 s ALA 40 Ca -0.07 -1.53 0.08 0.00 0.00 0.00 0.00 51.96 50.44 3gi9 s ALA 40 Cb -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3gi9 s ALA 40 CO 0.01 0.48 -0.25 -1.58 0.00 0.00 0.00 175.76 174.42 3gi9 s TRP 41 N -1.53 2.36 0.19 0.00 0.52 0.36 -0.56 118.94 120.27 3gi9 s TRP 41 Ca 0.21 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.98 3gi9 s TRP 41 Cb -0.09 -1.49 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 3gi9 s TRP 41 CO 0.11 0.00 -0.13 0.71 0.02 0.00 0.00 176.95 177.66 3gi9 s TYR 42 N -0.65 1.62 -0.09 -1.98 1.51 0.69 -0.62 117.35 117.83 3gi9 s TYR 42 Ca 0.10 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3gi9 s TYR 42 Cb -0.10 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3gi9 s TYR 42 CO -0.00 0.29 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.46 3gi9 s GLN 43 N -3.67 1.93 -0.29 -0.62 0.74 0.68 -2.30 119.66 116.13 3gi9 s GLN 43 Ca 0.21 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 55.19 3gi9 s GLN 43 Cb 0.00 -1.66 0.08 0.00 1.10 0.00 0.00 33.01 32.53 3gi9 s GLN 43 CO 0.06 -0.05 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.58 3gi9 s GLN 44 N 0.93 1.73 0.41 1.67 0.74 -0.14 0.43 119.66 125.43 3gi9 s GLN 44 Ca -0.09 -1.45 -0.23 0.00 0.05 0.00 0.00 55.36 53.65 3gi9 s GLN 44 Cb -0.15 -2.88 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 3gi9 s GLN 44 CO 0.00 -0.74 1.00 0.15 -0.55 0.00 0.00 175.29 175.16 3gi9 s LYS 45 N 1.13 4.19 0.06 1.67 1.02 -1.26 -1.82 119.74 124.72 3gi9 s LYS 45 Ca 0.00 1.36 -0.34 0.00 0.02 0.00 0.00 55.97 57.01 3gi9 s LYS 45 Cb -0.19 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 3gi9 s LYS 45 CO -0.08 -0.09 1.68 -0.35 -0.92 0.00 0.00 175.35 175.59 3gi9 n PRO 46 N -0.26 2.10 -0.99 -1.68 -0.04 -1.26 -1.18 135.00 131.69 3gi9 n PRO 46 Ca 0.06 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3gi9 n PRO 46 Cb 0.51 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3gi9 n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gi9 n GLY 47 N 3.76 0.48 3.49 0.55 0.00 -1.26 -5.04 105.19 107.15 3gi9 n GLY 47 Ca 0.19 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3gi9 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi9 s GLN 48 N -0.51 1.68 0.51 1.61 -0.21 -0.33 -5.14 119.66 117.28 3gi9 s GLN 48 Ca 0.00 -1.87 -0.20 0.00 0.02 0.00 0.00 55.36 53.31 3gi9 s GLN 48 Cb 0.00 -1.39 -0.07 0.00 1.00 0.00 0.00 33.01 32.55 3gi9 s GLN 48 CO 0.00 0.07 1.12 -1.12 -2.12 0.00 0.00 175.29 173.24 3gi9 s SER 49 N -3.52 5.94 0.37 5.90 0.01 -1.26 -4.66 113.70 116.48 3gi9 s SER 49 Ca 0.31 2.15 -0.27 0.00 1.31 0.00 0.00 55.95 59.45 3gi9 s SER 49 Cb 0.04 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 3gi9 s SER 49 CO 0.14 -1.07 1.36 -2.65 0.41 0.00 0.00 173.24 171.43 3gi9 n PRO 50 N -1.06 2.28 -4.43 12.44 -0.02 -1.26 -4.62 135.00 138.32 3gi9 n PRO 50 Ca 0.10 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 62.05 3gi9 n PRO 50 Cb 0.51 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 3gi9 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gi9 s LYS 51 N -2.04 3.19 0.06 -0.52 2.20 0.17 -4.91 119.74 117.90 3gi9 s LYS 51 Ca 0.56 -0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 3gi9 s LYS 51 Cb -0.52 -2.64 -0.07 0.00 -1.51 0.00 0.00 37.83 33.08 3gi9 s LYS 51 CO 0.62 -0.03 1.48 -1.17 -0.36 0.00 0.00 175.35 175.89 3gi9 s LEU 52 N 0.93 4.35 -0.14 5.43 2.96 -1.26 -0.23 118.68 130.72 3gi9 s LEU 52 Ca -0.03 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.08 3gi9 s LEU 52 Cb -0.15 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 3gi9 s LEU 52 CO -0.02 -0.76 -0.24 0.18 -1.32 0.00 0.00 176.35 174.19 3gi9 n LEU 53 N 4.96 1.51 -4.10 -0.68 4.77 0.21 -4.75 117.00 118.93 3gi9 n LEU 53 Ca 0.14 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 56.17 3gi9 n LEU 53 Cb 0.42 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 3gi9 n LEU 53 CO 0.60 -0.02 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.50 3gi9 s VAL 54 N -2.49 0.97 0.14 4.08 1.01 -1.08 -0.36 120.40 122.67 3gi9 s VAL 54 Ca -0.23 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3gi9 s VAL 54 Cb 0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3gi9 s VAL 54 CO 0.32 0.11 0.02 -0.72 0.00 0.00 0.00 175.10 174.83 3gi9 s TYR 55 N -0.58 0.97 -1.64 5.22 1.13 -0.30 -0.49 117.35 121.67 3gi9 s TYR 55 Ca 0.02 -1.12 -0.13 0.00 -1.41 0.00 0.00 57.07 54.43 3gi9 s TYR 55 Cb -0.06 -0.56 0.12 0.00 -1.10 0.00 0.00 41.96 40.36 3gi9 s TYR 55 CO 0.00 -0.37 0.64 1.19 -2.51 0.00 0.00 175.55 174.51 3gi9 n PHE 56 N -0.13 -1.66 0.00 -3.49 3.01 -1.05 -1.43 117.46 112.71 3gi9 n PHE 56 Ca -0.07 0.77 0.00 0.00 1.01 0.00 0.00 57.45 59.16 3gi9 n PHE 56 Cb 0.63 -3.05 0.00 0.00 -0.01 0.00 0.00 39.48 37.05 3gi9 n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gi9 n ALA 57 N -4.39 0.00 -0.70 4.37 0.00 0.10 -4.28 120.51 115.62 3gi9 n ALA 57 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gi9 n ALA 57 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3gi9 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gi9 n SER 58 N 1.40 0.17 -4.58 0.00 3.41 -1.17 -3.11 113.62 109.74 3gi9 n SER 58 Ca 0.00 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.32 3gi9 n SER 58 Cb 0.00 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 3gi9 n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gi9 s THR 59 N -0.02 4.99 0.24 6.66 -4.23 -0.52 -4.65 115.64 118.11 3gi9 s THR 59 Ca 0.00 0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 3gi9 s THR 59 Cb 0.00 -3.97 -0.10 0.00 1.34 0.00 0.00 72.50 69.77 3gi9 s THR 59 CO 0.00 -0.16 1.44 -0.13 -0.54 0.00 0.00 174.62 175.22 3gi9 s ARG 60 N 2.48 4.27 0.56 3.99 0.52 -1.26 -1.15 118.95 128.36 3gi9 s ARG 60 Ca 0.21 2.29 -0.20 0.00 -0.52 0.00 0.00 55.73 57.52 3gi9 s ARG 60 Cb -0.15 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.15 3gi9 s ARG 60 CO 0.13 -0.42 1.18 -2.00 0.02 0.00 0.00 175.30 174.20 3gi9 s GLU 61 N -0.33 3.22 0.20 3.54 2.56 0.51 -4.92 118.70 123.48 3gi9 s GLU 61 Ca 0.59 1.75 -0.33 0.00 0.00 0.00 0.00 54.97 56.98 3gi9 s GLU 61 Cb -0.42 -2.02 -0.14 0.00 2.00 0.00 0.00 34.13 33.56 3gi9 s GLU 61 CO 0.43 -0.99 1.50 0.45 -0.56 0.00 0.00 175.26 176.09 3gi9 n SER 62 N -1.34 2.98 0.00 -1.70 2.88 -1.26 -2.23 113.62 112.95 3gi9 n SER 62 Ca 0.12 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3gi9 n SER 62 Cb 0.50 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3gi9 n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi9 n GLY 63 N 2.80 1.20 3.71 0.46 0.00 -1.26 -5.04 105.19 107.07 3gi9 n GLY 63 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3gi9 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gi9 s VAL 64 N -3.09 4.99 0.41 1.61 1.01 -0.95 -5.02 120.40 119.36 3gi9 s VAL 64 Ca 0.00 1.65 -0.24 0.00 0.00 0.00 0.00 61.98 63.39 3gi9 s VAL 64 Cb 0.00 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 3gi9 s VAL 64 CO 0.00 0.22 0.94 -2.65 0.00 0.00 0.00 175.10 173.61 3gi9 n PRO 65 N 3.83 1.22 0.22 2.72 -0.02 -1.26 -4.88 135.00 136.84 3gi9 n PRO 65 Ca 0.01 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 3gi9 n PRO 65 Cb 0.51 -1.95 0.78 0.00 -0.02 0.00 0.00 33.50 32.82 3gi9 n PRO 65 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3gi9 h ASP 66 N 1.44 0.00 0.19 2.55 2.03 -2.00 -2.76 116.42 117.87 3gi9 h ASP 66 Ca -0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.86 3gi9 h ASP 66 Cb 1.35 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.85 3gi9 h ASP 66 CO 0.56 0.00 -0.04 0.03 -1.03 0.00 0.00 179.24 178.76 3gi9 h ARG 67 N 0.00 0.00 -5.30 4.15 3.08 -1.92 -3.40 114.38 110.99 3gi9 h ARG 67 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3gi9 h ARG 67 Cb 0.11 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.03 3gi9 h ARG 67 CO 0.00 0.04 -0.13 -0.06 -1.07 0.00 0.00 179.97 178.75 3gi9 s PHE 68 N -4.29 3.28 -0.09 3.04 0.40 -1.04 -1.94 117.98 117.34 3gi9 s PHE 68 Ca -0.04 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.84 3gi9 s PHE 68 Cb 0.13 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 41.06 3gi9 s PHE 68 CO 0.52 -0.21 -0.06 0.42 0.70 0.00 0.00 175.22 176.59 3gi9 s ILE 69 N 2.03 0.85 -0.08 0.64 1.01 -0.33 -4.95 121.20 120.37 3gi9 s ILE 69 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 3gi9 s ILE 69 Cb -0.16 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3gi9 s ILE 69 CO 0.09 0.33 0.13 -0.83 0.00 0.00 0.00 174.94 174.66 3gi9 s GLY 70 N 1.49 2.12 0.36 6.18 0.00 -1.26 -0.49 107.32 115.73 3gi9 s GLY 70 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 3gi9 s GLY 70 CO -0.05 -0.49 0.65 -1.35 0.00 0.00 0.00 173.10 171.86 3gi9 s SER 71 N -1.28 0.39 0.00 1.64 1.04 -0.57 -4.23 113.70 110.69 3gi9 s SER 71 Ca 0.18 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3gi9 s SER 71 Cb -0.12 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3gi9 s SER 71 CO 0.08 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.40 3gi9 n GLY 72 N -0.54 2.28 3.36 7.32 0.00 -1.26 -0.88 105.19 115.47 3gi9 n GLY 72 Ca -0.04 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3gi9 n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi9 s SER 73 N 0.00 -0.38 0.08 1.61 1.04 -1.02 -4.93 113.70 110.10 3gi9 s SER 73 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3gi9 s SER 73 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3gi9 s SER 73 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3gi9 n GLY 74 N -0.16 1.97 0.00 7.32 0.00 -1.26 -3.34 105.19 109.72 3gi9 n GLY 74 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gi9 n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gi9 n THR 75 N 0.00 0.00 -4.28 2.61 -2.24 -1.26 -1.01 114.28 108.09 3gi9 n THR 75 Ca 0.00 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 3gi9 n THR 75 Cb 0.00 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 3gi9 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gi9 s ASP 76 N -1.56 3.76 0.11 3.42 1.11 -1.21 -1.12 116.67 121.18 3gi9 s ASP 76 Ca 0.00 -0.47 0.04 0.00 0.18 0.00 0.00 52.55 52.30 3gi9 s ASP 76 Cb 0.01 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.36 3gi9 s ASP 76 CO 0.04 0.04 -0.11 -0.36 1.18 0.00 0.00 175.17 175.96 3gi9 s PHE 77 N 1.07 1.18 -0.01 4.23 0.40 0.26 -2.44 117.98 122.67 3gi9 s PHE 77 Ca -0.00 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 3gi9 s PHE 77 Cb -0.15 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.76 3gi9 s PHE 77 CO -0.03 0.05 -0.03 0.99 0.70 0.00 0.00 175.22 176.90 3gi9 s THR 78 N -2.56 0.26 -0.23 0.64 2.01 -0.06 -1.17 115.64 114.53 3gi9 s THR 78 Ca 0.09 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3gi9 s THR 78 Cb -0.02 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.27 3gi9 s THR 78 CO 0.01 0.10 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.68 3gi9 s LEU 79 N 0.21 2.93 -0.18 4.42 2.96 0.19 -1.52 118.68 127.69 3gi9 s LEU 79 Ca -0.02 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 3gi9 s LEU 79 Cb -0.05 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3gi9 s LEU 79 CO -0.00 -0.11 0.22 -0.89 -1.32 0.00 0.00 176.35 174.24 3gi9 s THR 80 N 1.21 5.35 -0.41 3.68 2.01 0.35 -0.84 115.64 127.00 3gi9 s THR 80 Ca -0.02 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 3gi9 s THR 80 Cb -0.17 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 68.89 3gi9 s THR 80 CO -0.08 0.41 0.21 -0.63 -0.69 0.00 0.00 174.62 173.84 3gi9 s ILE 81 N 0.45 3.43 0.32 1.82 1.01 -0.03 -1.19 121.20 127.01 3gi9 s ILE 81 Ca 0.13 -1.94 0.17 0.00 0.00 0.00 0.00 60.65 59.00 3gi9 s ILE 81 Cb -0.12 -3.30 0.13 0.00 0.01 0.00 0.00 42.46 39.18 3gi9 s ILE 81 CO 0.01 -0.65 1.83 0.77 0.00 0.00 0.00 174.94 176.90 3gi9 h SER 82 N 8.12 0.00 -1.51 3.58 4.64 -1.64 -0.71 113.55 126.03 3gi9 h SER 82 Ca -0.15 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.92 3gi9 h SER 82 Cb 1.05 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.89 3gi9 h SER 82 CO 0.71 0.34 -0.60 -0.55 -0.87 0.00 0.00 176.83 175.86 3gi9 s SER 83 N -6.67 -0.17 0.27 4.97 0.15 -1.22 -3.64 113.70 107.40 3gi9 s SER 83 Ca -0.02 -1.49 -0.30 0.00 0.70 0.00 0.00 55.95 54.84 3gi9 s SER 83 Cb 0.13 1.17 -0.11 0.00 -1.71 0.00 0.00 66.02 65.51 3gi9 s SER 83 CO 0.69 -0.18 1.49 0.68 1.20 0.00 0.00 173.24 177.12 3gi9 s VAL 84 N 1.33 2.45 0.29 4.45 -7.23 -0.60 -4.61 120.40 116.48 3gi9 s VAL 84 Ca 0.20 0.38 0.09 0.00 -1.81 0.00 0.00 61.98 60.84 3gi9 s VAL 84 Cb -0.07 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 3gi9 s VAL 84 CO -0.06 0.06 0.09 -1.10 -0.31 0.00 0.00 175.10 173.78 3gi9 s GLN 85 N -0.50 2.45 0.34 4.82 -1.52 -1.26 -0.97 119.66 123.03 3gi9 s GLN 85 Ca 0.60 -1.39 0.13 0.00 -1.95 0.00 0.00 55.36 52.75 3gi9 s GLN 85 Cb -0.44 -2.25 0.97 0.00 -0.22 0.00 0.00 33.01 31.07 3gi9 s GLN 85 CO 0.46 0.29 1.73 0.00 -0.25 0.00 0.00 175.29 177.51 3gi9 h ALA 86 N 1.69 1.95 0.00 6.09 0.00 -1.89 -0.46 119.26 126.64 3gi9 h ALA 86 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gi9 h ALA 86 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gi9 h ALA 86 CO 0.61 -0.41 0.00 1.05 0.00 0.00 0.00 179.25 180.50 3gi9 h GLU 87 N 0.50 0.00 0.00 0.00 4.11 -1.88 -3.26 114.58 114.06 3gi9 h GLU 87 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 3gi9 h GLU 87 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3gi9 h GLU 87 CO -0.43 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.40 3gi9 n ASP 88 N -2.74 0.00 -4.65 3.06 8.00 -0.18 -4.80 116.55 115.24 3gi9 n ASP 88 Ca 0.02 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.41 3gi9 n ASP 88 Cb 0.31 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 3gi9 n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gi9 s LEU 89 N -2.84 4.29 0.00 0.64 2.96 -1.23 -4.85 118.68 117.65 3gi9 s LEU 89 Ca 0.13 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 3gi9 s LEU 89 Cb 0.13 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.29 3gi9 s LEU 89 CO 0.33 -1.19 0.00 -1.54 -1.32 0.00 0.00 176.35 172.63 3gi9 n SER 90 N 8.16 0.00 -4.86 3.68 3.41 -1.07 -4.74 113.62 118.20 3gi9 n SER 90 Ca 0.21 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.46 3gi9 n SER 90 Cb 0.42 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3gi9 n SER 90 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gi9 s ASP 91 N -2.94 6.33 -0.22 4.04 1.01 -0.76 -0.95 116.67 123.18 3gi9 s ASP 91 Ca 0.00 0.44 -0.04 0.00 0.71 0.00 0.00 52.55 53.66 3gi9 s ASP 91 Cb 0.00 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 3gi9 s ASP 91 CO 0.00 0.39 -0.05 -0.36 0.21 0.00 0.00 175.17 175.36 3gi9 s PHE 92 N -0.92 2.95 -0.10 4.23 0.08 -0.16 -0.97 117.98 123.08 3gi9 s PHE 92 Ca 0.14 -0.98 0.01 0.00 0.12 0.00 0.00 56.93 56.22 3gi9 s PHE 92 Cb -0.12 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 3gi9 s PHE 92 CO 0.04 -0.56 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.42 3gi9 s PHE 93 N 1.46 2.81 0.22 0.36 0.08 -0.97 -1.68 117.98 120.25 3gi9 s PHE 93 Ca 0.06 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 3gi9 s PHE 93 Cb -0.14 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 3gi9 s PHE 93 CO -0.04 -0.04 0.46 0.00 -0.10 0.00 0.00 175.22 175.50 3gi9 s GLN 95 N -3.19 0.17 -0.07 0.00 0.74 0.27 -0.59 119.66 116.99 3gi9 s GLN 95 Ca 0.42 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.14 3gi9 s GLN 95 Cb -0.11 -0.10 -0.03 0.00 1.10 0.00 0.00 33.01 33.86 3gi9 s GLN 95 CO 0.27 -0.22 1.29 1.14 -0.55 0.00 0.00 175.29 177.22 3gi9 s GLN 96 N 1.75 4.29 -0.48 1.67 1.03 -0.95 0.17 119.66 127.14 3gi9 s GLN 96 Ca -0.05 1.76 0.03 0.00 0.04 0.00 0.00 55.36 57.15 3gi9 s GLN 96 Cb -0.11 -3.64 0.48 0.00 0.03 0.00 0.00 33.01 29.77 3gi9 s GLN 96 CO -0.08 -0.57 1.69 -2.39 -2.54 0.00 0.00 175.29 171.40 3gi9 n HIS 97 N 5.73 2.78 -0.10 9.60 1.44 -0.44 -3.96 115.22 130.27 3gi9 n HIS 97 Ca 0.13 -2.49 -0.19 0.00 -2.01 0.00 0.00 57.72 53.15 3gi9 n HIS 97 Cb 0.45 -0.94 -0.10 0.00 0.12 0.00 0.00 29.99 29.53 3gi9 n HIS 97 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 3gi9 n TYR 98 N -0.90 0.94 -3.78 -1.40 9.36 -1.24 -4.90 117.16 115.24 3gi9 n TYR 98 Ca 0.53 0.41 -0.13 0.00 3.32 0.00 0.00 57.90 62.03 3gi9 n TYR 98 Cb 0.89 -1.04 -0.13 0.00 -0.63 0.00 0.00 39.34 38.44 3gi9 n TYR 98 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3gi9 s SER 99 N -6.70 -0.19 0.38 2.98 0.15 -1.26 -5.10 113.70 103.95 3gi9 s SER 99 Ca -0.27 0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.51 3gi9 s SER 99 Cb 0.06 0.34 -0.09 0.00 -1.71 0.00 0.00 66.02 64.62 3gi9 s SER 99 CO 0.52 -0.10 1.08 0.42 1.20 0.00 0.00 173.24 176.36 3gi9 s THR 100 N 0.52 3.59 0.25 6.45 -4.23 -1.26 -3.33 115.64 117.63 3gi9 s THR 100 Ca -0.03 1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 61.47 3gi9 s THR 100 Cb -0.05 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 3gi9 s THR 100 CO -0.03 0.08 1.29 -2.16 -0.54 0.00 0.00 174.62 173.27 3gi9 s PRO 101 N -2.28 4.41 0.21 3.99 0.04 -1.26 -5.01 135.00 135.09 3gi9 s PRO 101 Ca 0.55 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 3gi9 s PRO 101 Cb -0.25 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 3gi9 s PRO 101 CO 0.32 -0.18 1.26 0.71 0.04 0.00 0.00 177.00 179.14 3gi9 s TYR 102 N -0.38 3.31 0.01 0.56 4.12 -1.21 -4.72 117.35 119.03 3gi9 s TYR 102 Ca 0.53 1.34 0.05 0.00 0.02 0.00 0.00 57.07 59.01 3gi9 s TYR 102 Cb -0.37 -3.53 -0.02 0.00 -1.52 0.00 0.00 41.96 36.52 3gi9 s TYR 102 CO 0.43 -1.57 -0.16 0.95 0.02 0.00 0.00 175.55 175.22 3gi9 s THR 103 N -0.15 1.26 0.19 -0.71 -4.23 -1.25 -5.03 115.64 105.71 3gi9 s THR 103 Ca 0.54 -0.83 0.05 0.00 -1.18 0.00 0.00 61.69 60.27 3gi9 s THR 103 Cb -0.35 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 3gi9 s THR 103 CO 0.39 0.24 0.21 -0.36 -0.54 0.00 0.00 174.62 174.56 3gi9 s PHE 104 N -0.55 3.25 0.83 3.99 0.08 -1.26 -2.23 117.98 122.08 3gi9 s PHE 104 Ca 0.05 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 3gi9 s PHE 104 Cb -0.07 -1.53 0.09 0.00 -0.57 0.00 0.00 43.02 40.94 3gi9 s PHE 104 CO 0.00 0.51 1.17 0.20 -0.10 0.00 0.00 175.22 177.00 3gi9 s GLY 105 N -3.40 1.59 0.48 4.36 0.00 0.25 -4.57 107.32 106.03 3gi9 s GLY 105 Ca 0.33 -0.61 0.29 0.00 0.00 0.00 0.00 44.72 44.73 3gi9 s GLY 105 CO 0.26 -0.11 1.82 -1.33 0.00 0.00 0.00 173.10 173.74 3gi9 h GLY 106 N -1.13 0.00 0.00 0.20 0.00 -1.90 -3.43 103.07 96.80 3gi9 h GLY 106 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3gi9 h GLY 106 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 3gi9 n GLY 107 N 0.49 2.31 2.96 4.60 0.00 -1.26 -5.02 105.19 109.27 3gi9 n GLY 107 Ca 0.02 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 3gi9 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi9 s THR 108 N -2.68 1.13 -0.04 2.61 2.01 -0.68 -4.73 115.64 113.26 3gi9 s THR 108 Ca 0.00 -0.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 3gi9 s THR 108 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3gi9 s THR 108 CO 0.00 0.37 0.70 -0.75 -0.69 0.00 0.00 174.62 174.26 3gi9 s LYS 109 N 1.29 4.44 -0.21 4.92 2.20 -0.69 -0.99 119.74 130.70 3gi9 s LYS 109 Ca -0.02 0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 56.46 3gi9 s LYS 109 Cb -0.14 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3gi9 s LYS 109 CO -0.04 0.12 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.83 3gi9 s LEU 110 N 0.59 2.74 0.15 5.43 2.96 -0.13 -1.17 118.68 129.25 3gi9 s LEU 110 Ca 0.37 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3gi9 s LEU 110 Cb -0.18 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3gi9 s LEU 110 CO 0.19 -0.01 -0.13 -1.83 -1.32 0.00 0.00 176.35 173.25 3gi9 s GLU 111 N 1.42 1.96 -0.16 1.98 -1.05 -0.90 -2.59 118.70 119.36 3gi9 s GLU 111 Ca 0.05 -1.21 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 3gi9 s GLU 111 Cb -0.14 -2.16 -0.05 0.00 -0.44 0.00 0.00 34.13 31.35 3gi9 s GLU 111 CO -0.05 0.46 0.24 0.42 0.95 0.00 0.00 175.26 177.28 3gi9 s ILE 112 N -1.44 5.34 0.01 1.83 -1.09 -1.26 -1.45 121.20 123.14 3gi9 s ILE 112 Ca 0.22 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.91 3gi9 s ILE 112 Cb -0.10 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 3gi9 s ILE 112 CO 0.13 0.43 0.44 -0.54 -1.23 0.00 0.00 174.94 174.17 3gi9 s LYS 113 N 0.23 3.98 0.36 2.79 1.02 0.26 -4.86 119.74 123.52 3gi9 s LYS 113 Ca 0.14 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.53 3gi9 s LYS 113 Cb -0.12 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3gi9 s LYS 113 CO 0.03 0.67 0.62 2.89 -0.92 0.00 0.00 175.35 178.63 3gi9 n ARG 114 N 1.86 0.89 -2.04 1.68 -4.01 -1.26 -4.10 116.66 109.67 3gi9 n ARG 114 Ca -0.13 -2.46 -0.35 0.00 -1.04 0.00 0.00 57.85 53.88 3gi9 n ARG 114 Cb 0.52 2.66 0.02 0.00 -3.04 0.00 0.00 32.46 32.63 3gi9 n ARG 114 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3gi9 s ALA 115 N -2.41 2.58 0.38 2.89 0.00 -1.26 -4.98 121.76 118.96 3gi9 s ALA 115 Ca 0.22 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 3gi9 s ALA 115 Cb -0.03 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3gi9 s ALA 115 CO 0.16 -1.03 1.38 -0.51 0.00 0.00 0.00 175.76 175.76 3gi9 s ASP 116 N -1.93 6.40 -0.00 0.00 1.01 -1.26 -4.75 116.67 116.14 3gi9 s ASP 116 Ca 0.73 2.84 0.01 0.00 0.71 0.00 0.00 52.55 56.83 3gi9 s ASP 116 Cb -0.25 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.03 3gi9 s ASP 116 CO 0.33 -0.81 -0.03 0.00 0.21 0.00 0.00 175.17 174.87 3gi9 s ALA 117 N -1.17 0.24 0.12 5.23 0.00 -0.70 -4.89 121.76 120.59 3gi9 s ALA 117 Ca 0.54 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 3gi9 s ALA 117 Cb -0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 3gi9 s ALA 117 CO 0.56 0.05 0.78 0.00 0.00 0.00 0.00 175.76 177.15 3gi9 s ALA 118 N -0.12 3.41 0.32 0.00 0.00 -1.26 -2.12 121.76 121.99 3gi9 s ALA 118 Ca 0.01 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 3gi9 s ALA 118 Cb -0.01 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 3gi9 s ALA 118 CO -0.00 0.20 1.23 -1.25 0.00 0.00 0.00 175.76 175.94 3gi9 s PRO 119 N -0.72 4.43 -0.29 0.00 0.04 -1.26 -4.60 135.00 132.59 3gi9 s PRO 119 Ca 0.37 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 3gi9 s PRO 119 Cb -0.22 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 3gi9 s PRO 119 CO 0.25 -0.07 0.78 0.99 0.04 0.00 0.00 177.00 178.99 3gi9 s THR 120 N -1.17 4.82 -0.17 1.26 2.01 0.04 -4.82 115.64 117.62 3gi9 s THR 120 Ca 0.48 1.24 -0.06 0.00 0.31 0.00 0.00 61.69 63.66 3gi9 s THR 120 Cb -0.37 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 3gi9 s THR 120 CO 0.48 -0.19 0.03 -0.69 -0.69 0.00 0.00 174.62 173.57 3gi9 s VAL 121 N 2.89 4.54 -0.06 3.82 1.01 -1.26 -0.54 120.40 130.80 3gi9 s VAL 121 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3gi9 s VAL 121 Cb -0.14 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3gi9 s VAL 121 CO 0.11 0.48 -0.05 -0.44 0.00 0.00 0.00 175.10 175.20 3gi9 s SER 122 N 0.28 1.40 0.03 3.32 0.01 0.01 -4.98 113.70 113.77 3gi9 s SER 122 Ca 0.02 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 3gi9 s SER 122 Cb -0.13 -0.57 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 3gi9 s SER 122 CO 0.01 -0.08 0.21 -0.51 0.41 0.00 0.00 173.24 173.28 3gi9 s ILE 123 N 1.22 5.39 -0.06 1.44 2.07 -1.26 -0.44 121.20 129.55 3gi9 s ILE 123 Ca -0.06 -0.19 -0.00 0.00 -1.41 0.00 0.00 60.65 58.99 3gi9 s ILE 123 Cb -0.14 -3.58 0.03 0.00 0.13 0.00 0.00 42.46 38.90 3gi9 s ILE 123 CO -0.02 0.24 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.88 3gi9 s PHE 124 N -1.41 0.72 0.54 3.50 0.40 0.34 -5.00 117.98 117.07 3gi9 s PHE 124 Ca 0.31 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 56.24 3gi9 s PHE 124 Cb -0.13 -0.75 -0.06 0.00 0.51 0.00 0.00 43.02 42.59 3gi9 s PHE 124 CO 0.22 -0.28 1.14 -2.14 0.70 0.00 0.00 175.22 174.86 3gi9 s PRO 125 N 1.54 3.38 0.10 0.24 0.02 -1.26 -2.53 135.00 136.49 3gi9 s PRO 125 Ca -0.01 1.66 -0.36 0.00 0.02 0.00 0.00 61.00 62.31 3gi9 s PRO 125 Cb -0.13 -2.06 -0.15 0.00 0.02 0.00 0.00 34.50 32.18 3gi9 s PRO 125 CO -0.03 -0.84 1.47 -2.30 -0.33 0.00 0.00 177.00 174.97 3gi9 n PRO 126 N -1.20 1.61 -1.61 5.54 -0.02 -1.24 -4.88 135.00 133.20 3gi9 n PRO 126 Ca 0.11 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 3gi9 n PRO 126 Cb 0.50 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3gi9 n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gi9 n SER 127 N 3.13 1.46 -0.21 2.55 2.88 -1.26 -4.84 113.62 117.34 3gi9 n SER 127 Ca 0.18 0.78 -0.03 0.00 -1.33 0.00 0.00 58.87 58.48 3gi9 n SER 127 Cb 0.23 -1.49 0.08 0.00 -0.75 0.00 0.00 64.21 62.28 3gi9 n SER 127 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3gi9 h SER 128 N 0.31 0.48 1.10 -3.46 0.87 -2.01 -1.63 113.55 109.22 3gi9 h SER 128 Ca -0.50 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3gi9 h SER 128 Cb 1.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3gi9 h SER 128 CO 0.51 0.32 0.00 -1.84 -0.53 0.00 0.00 176.83 175.29 3gi9 n GLU 129 N -4.82 0.17 -0.05 2.24 0.28 -1.26 -2.65 120.64 114.55 3gi9 n GLU 129 Ca 0.07 0.23 -0.13 0.00 -0.16 0.00 0.00 57.16 57.18 3gi9 n GLU 129 Cb 0.15 -1.74 -0.11 0.00 1.43 0.00 0.00 31.44 31.17 3gi9 n GLU 129 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3gi9 h GLN 130 N 0.00 -0.02 -0.28 3.44 5.75 -1.65 -3.37 115.11 118.99 3gi9 h GLN 130 Ca 0.00 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 3gi9 h GLN 130 Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 3gi9 h GLN 130 CO 0.00 0.78 -0.53 1.37 -2.65 0.00 0.00 178.83 177.81 3gi9 h LEU 131 N -0.90 0.91 -3.17 -2.39 8.10 -1.46 -3.06 115.31 113.35 3gi9 h LEU 131 Ca -0.00 -0.48 0.00 0.00 0.11 0.00 0.00 57.88 57.51 3gi9 h LEU 131 Cb 0.81 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 3gi9 h LEU 131 CO 0.00 1.26 0.00 0.35 -4.11 0.00 0.00 178.44 175.94 3gi9 n THR 132 N -4.00 1.19 -0.64 0.15 -2.24 -1.08 -2.24 114.28 105.42 3gi9 n THR 132 Ca -0.04 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3gi9 n THR 132 Cb 0.61 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 3gi9 n THR 132 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gi9 n SER 133 N 1.54 0.00 0.00 3.42 2.88 -1.16 -4.97 113.62 115.34 3gi9 n SER 133 Ca 0.00 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3gi9 n SER 133 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3gi9 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi9 n GLY 134 N 0.00 2.46 4.01 0.46 0.00 -0.95 -5.11 105.19 106.06 3gi9 n GLY 134 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 3gi9 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi9 n GLY 135 N 0.00 1.02 3.39 -0.02 0.00 -1.26 -2.74 105.19 105.58 3gi9 n GLY 135 Ca 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.89 3gi9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi9 s ALA 136 N -3.06 -1.60 -0.06 4.61 0.00 -0.20 -3.38 121.76 118.07 3gi9 s ALA 136 Ca 0.67 1.83 0.05 0.00 0.00 0.00 0.00 51.96 54.51 3gi9 s ALA 136 Cb -0.04 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 3gi9 s ALA 136 CO 0.44 -0.91 -0.22 -1.54 0.00 0.00 0.00 175.76 173.53 3gi9 s SER 137 N 2.74 2.70 -0.23 0.00 1.04 -1.26 -0.24 113.70 118.44 3gi9 s SER 137 Ca -0.01 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 3gi9 s SER 137 Cb -0.12 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 65.12 3gi9 s SER 137 CO -0.16 0.19 0.15 -0.69 0.98 0.00 0.00 173.24 173.71 3gi9 s VAL 138 N 0.01 5.30 -0.05 5.02 1.01 0.76 -3.73 120.40 128.72 3gi9 s VAL 138 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3gi9 s VAL 138 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3gi9 s VAL 138 CO 0.04 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 3gi9 s VAL 139 N 0.95 4.09 -0.12 2.92 1.01 -1.05 -0.76 120.40 127.44 3gi9 s VAL 139 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3gi9 s VAL 139 Cb -0.13 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.53 3gi9 s VAL 139 CO 0.03 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 3gi9 s PHE 141 N 1.78 3.40 -0.34 0.00 0.08 0.41 -1.62 117.98 121.68 3gi9 s PHE 141 Ca 0.04 0.48 -0.02 0.00 0.12 0.00 0.00 56.93 57.54 3gi9 s PHE 141 Cb -0.13 -2.35 0.07 0.00 -0.57 0.00 0.00 43.02 40.04 3gi9 s PHE 141 CO -0.07 0.15 0.08 -0.51 -0.10 0.00 0.00 175.22 174.76 3gi9 s LEU 142 N 0.79 4.43 -0.04 -0.37 1.02 -0.16 -0.81 118.68 123.55 3gi9 s LEU 142 Ca 0.14 -1.55 0.02 0.00 0.02 0.00 0.00 54.13 52.77 3gi9 s LEU 142 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 3gi9 s LEU 142 CO 0.04 -0.37 -0.09 0.20 0.02 0.00 0.00 176.35 176.15 3gi9 s ASN 143 N 1.45 4.44 -0.93 2.29 0.02 0.29 -0.34 114.94 122.17 3gi9 s ASN 143 Ca 0.00 -0.12 -0.06 0.00 -1.02 0.00 0.00 52.86 51.66 3gi9 s ASN 143 Cb -0.21 -1.04 -0.02 0.00 0.02 0.00 0.00 41.25 40.00 3gi9 s ASN 143 CO -0.02 0.33 0.78 0.59 0.02 0.00 0.00 177.10 178.80 3gi9 n ASN 144 N 2.04 -6.62 -4.32 -1.22 3.02 -1.03 -0.78 115.26 106.34 3gi9 n ASN 144 Ca -0.17 -0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 53.64 3gi9 n ASN 144 Cb 0.53 -4.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 3gi9 n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3gi9 s PHE 145 N -3.22 1.62 -0.13 3.10 -0.71 -0.23 -4.47 117.98 113.94 3gi9 s PHE 145 Ca 0.24 -0.60 -0.10 0.00 -1.04 0.00 0.00 56.93 55.43 3gi9 s PHE 145 Cb -0.06 -0.77 0.04 0.00 -1.21 0.00 0.00 43.02 41.03 3gi9 s PHE 145 CO 0.79 0.30 0.34 -0.47 -1.34 0.00 0.00 175.22 174.84 3gi9 s TYR 146 N -2.97 -0.42 0.89 3.49 5.04 -0.90 -0.78 117.35 121.70 3gi9 s TYR 146 Ca 0.21 0.98 -0.14 0.00 -2.44 0.00 0.00 57.07 55.68 3gi9 s TYR 146 Cb -0.00 0.15 0.20 0.00 0.35 0.00 0.00 41.96 42.66 3gi9 s TYR 146 CO 0.05 -0.23 1.21 -0.35 -1.34 0.00 0.00 175.55 174.90 3gi9 n PRO 147 N 3.42 -1.12 0.27 4.97 -0.04 -1.26 -1.72 135.00 139.53 3gi9 n PRO 147 Ca -0.17 -1.95 0.15 0.00 -0.04 0.00 0.00 63.50 61.48 3gi9 n PRO 147 Cb 0.56 -1.22 0.76 0.00 -0.04 0.00 0.00 33.50 33.56 3gi9 n PRO 147 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3gi9 h LYS 148 N 0.00 0.00 -6.47 0.54 2.10 -1.98 -3.44 116.57 107.32 3gi9 h LYS 148 Ca -0.39 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.73 3gi9 h LYS 148 Cb 1.10 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.45 3gi9 h LYS 148 CO 0.28 0.09 0.96 -0.51 -2.00 0.00 0.00 179.45 178.27 3gi9 s ASP 149 N -5.91 6.63 0.11 7.07 1.11 -1.26 -4.98 116.67 119.43 3gi9 s ASP 149 Ca -0.02 2.47 -0.25 0.00 0.18 0.00 0.00 52.55 54.94 3gi9 s ASP 149 Cb 0.12 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.61 3gi9 s ASP 149 CO 0.56 -0.86 0.61 -0.51 1.18 0.00 0.00 175.17 176.15 3gi9 s ILE 150 N 2.33 0.00 -0.00 0.77 2.07 -1.26 -4.52 121.20 120.59 3gi9 s ILE 150 Ca 0.72 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 3gi9 s ILE 150 Cb -0.40 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.19 3gi9 s ILE 150 CO 0.32 -0.01 -0.01 0.21 -1.91 0.00 0.00 174.94 173.53 3gi9 s ASN 151 N -2.40 0.19 -0.15 4.50 2.47 -0.70 -5.02 114.94 113.84 3gi9 s ASN 151 Ca -0.02 -0.03 -0.01 0.00 0.42 0.00 0.00 52.86 53.22 3gi9 s ASN 151 Cb -0.01 -0.03 -0.02 0.00 -1.45 0.00 0.00 41.25 39.74 3gi9 s ASN 151 CO -0.08 0.01 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.52 3gi9 s VAL 152 N 0.05 3.27 -0.24 -5.21 1.01 -1.26 -1.14 120.40 116.89 3gi9 s VAL 152 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3gi9 s VAL 152 Cb -0.02 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3gi9 s VAL 152 CO -0.00 0.51 0.02 -0.54 0.00 0.00 0.00 175.10 175.08 3gi9 s LYS 153 N 0.49 3.49 -0.14 2.72 -0.14 0.12 -4.93 119.74 121.35 3gi9 s LYS 153 Ca -0.07 -0.57 -0.10 0.00 -1.36 0.00 0.00 55.97 53.87 3gi9 s LYS 153 Cb -0.15 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 32.78 3gi9 s LYS 153 CO 0.04 -0.21 0.19 -1.58 -0.76 0.00 0.00 175.35 173.03 3gi9 s TRP 154 N 1.54 3.54 -0.09 3.18 0.52 -1.25 0.23 118.94 126.61 3gi9 s TRP 154 Ca 0.06 0.53 -0.00 0.00 0.02 0.00 0.00 56.10 56.71 3gi9 s TRP 154 Cb -0.15 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.09 3gi9 s TRP 154 CO 0.00 0.52 -0.06 0.15 0.02 0.00 0.00 176.95 177.58 3gi9 s LYS 155 N -0.40 1.28 -0.49 4.98 1.02 -0.46 -0.90 119.74 124.78 3gi9 s LYS 155 Ca 0.14 -0.18 -0.19 0.00 0.02 0.00 0.00 55.97 55.76 3gi9 s LYS 155 Cb -0.12 -1.38 0.05 0.00 -0.52 0.00 0.00 37.83 35.86 3gi9 s LYS 155 CO 0.03 -0.23 0.62 0.42 -0.92 0.00 0.00 175.35 175.27 3gi9 s ILE 156 N 1.61 4.87 -1.59 2.17 -1.09 0.00 -2.27 121.20 124.89 3gi9 s ILE 156 Ca 0.02 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3gi9 s ILE 156 Cb -0.13 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3gi9 s ILE 156 CO -0.06 -0.75 0.00 0.47 -1.23 0.00 0.00 174.94 173.38 3gi9 n ASP 157 N 6.19 -5.32 0.00 3.58 10.43 0.53 -2.66 116.55 129.29 3gi9 n ASP 157 Ca -0.05 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.32 3gi9 n ASP 157 Cb 0.46 -4.39 0.00 0.00 1.84 0.00 0.00 41.12 39.04 3gi9 n ASP 157 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gi9 n GLY 158 N -1.00 0.73 3.28 0.44 0.00 -1.26 -4.97 105.19 102.41 3gi9 n GLY 158 Ca -0.22 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3gi9 n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi9 s SER 159 N -2.07 2.78 0.47 1.61 1.04 -1.09 -5.04 113.70 111.41 3gi9 s SER 159 Ca 0.00 -0.47 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 3gi9 s SER 159 Cb 0.00 -0.29 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 3gi9 s SER 159 CO 0.00 0.26 1.05 -0.62 0.98 0.00 0.00 173.24 174.91 3gi9 n GLU 160 N 2.27 1.35 -3.67 4.02 1.02 -1.26 -0.82 120.64 123.55 3gi9 n GLU 160 Ca -0.16 0.49 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 3gi9 n GLU 160 Cb 0.52 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 3gi9 n GLU 160 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3gi9 s ARG 161 N -2.25 0.56 0.00 3.49 6.06 -0.07 -4.73 118.95 121.99 3gi9 s ARG 161 Ca 0.66 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.87 3gi9 s ARG 161 Cb -0.51 0.08 0.00 0.00 0.06 0.00 0.00 34.95 34.59 3gi9 s ARG 161 CO 0.54 -0.15 0.58 0.00 -2.50 0.00 0.00 175.30 173.78 3gi9 n GLN 162 N 4.12 0.00 0.02 5.12 10.64 -1.26 -3.84 117.38 132.18 3gi9 n GLN 162 Ca -0.21 -0.51 -0.13 0.00 -1.83 0.00 0.00 57.00 54.32 3gi9 n GLN 162 Cb 0.57 -0.34 -0.09 0.00 -0.86 0.00 0.00 30.24 29.51 3gi9 n GLN 162 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 3gi9 h ASN 163 N 0.00 -0.07 -0.71 2.61 -1.24 -1.99 -3.33 115.58 110.86 3gi9 h ASN 163 Ca 0.00 -0.43 -0.44 0.00 0.71 0.00 0.00 56.30 56.15 3gi9 h ASN 163 Cb 1.13 0.02 -0.25 0.00 0.73 0.00 0.00 38.32 39.95 3gi9 h ASN 163 CO 0.00 0.41 0.17 0.61 -1.29 0.00 0.00 177.43 177.32 3gi9 n GLY 164 N 0.18 5.34 3.77 1.57 0.00 -1.26 -5.01 105.19 109.78 3gi9 n GLY 164 Ca -0.08 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 3gi9 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gi9 s VAL 165 N -3.90 4.81 -0.13 1.61 1.01 -1.25 -1.54 120.40 121.00 3gi9 s VAL 165 Ca 0.53 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3gi9 s VAL 165 Cb 0.45 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.87 3gi9 s VAL 165 CO 0.02 0.44 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 3gi9 s LEU 166 N -0.39 1.72 -0.17 3.92 1.43 0.30 -4.96 118.68 120.52 3gi9 s LEU 166 Ca 0.32 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3gi9 s LEU 166 Cb -0.19 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3gi9 s LEU 166 CO 0.19 -0.02 -0.01 0.20 0.23 0.00 0.00 176.35 176.94 3gi9 s ASN 167 N 1.25 4.98 -0.04 2.29 0.01 -1.26 -1.42 114.94 120.75 3gi9 s ASN 167 Ca -0.00 -0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 52.04 3gi9 s ASN 167 Cb -0.14 -1.83 0.03 0.00 0.41 0.00 0.00 41.25 39.72 3gi9 s ASN 167 CO -0.07 0.15 0.00 -0.55 -1.51 0.00 0.00 177.10 175.12 3gi9 s SER 168 N 0.51 0.89 -0.17 -1.22 0.15 0.15 -5.00 113.70 109.02 3gi9 s SER 168 Ca -0.01 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 3gi9 s SER 168 Cb -0.14 -0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 3gi9 s SER 168 CO 0.02 -0.14 0.02 0.26 1.20 0.00 0.00 173.24 174.60 3gi9 s TRP 169 N 1.42 3.15 0.86 3.44 0.51 -1.26 -0.13 118.94 126.94 3gi9 s TRP 169 Ca -0.04 -0.09 -0.11 0.00 -2.12 0.00 0.00 56.10 53.74 3gi9 s TRP 169 Cb -0.13 -2.02 0.11 0.00 -0.81 0.00 0.00 33.47 30.62 3gi9 s TRP 169 CO -0.03 0.07 1.10 0.95 -0.51 0.00 0.00 176.95 178.54 3gi9 s THR 170 N 0.35 2.79 0.67 2.01 -4.23 -0.42 -5.03 115.64 111.79 3gi9 s THR 170 Ca -0.00 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.62 3gi9 s THR 170 Cb -0.13 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.08 3gi9 s THR 170 CO 0.01 -0.33 1.12 -1.81 -0.54 0.00 0.00 174.62 173.07 3gi9 s ASP 171 N -3.22 5.01 0.37 3.99 1.01 -1.26 -4.69 116.67 117.88 3gi9 s ASP 171 Ca 0.63 2.02 -0.26 0.00 0.71 0.00 0.00 52.55 55.65 3gi9 s ASP 171 Cb -0.19 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.07 3gi9 s ASP 171 CO 0.57 -1.70 1.08 1.67 0.21 0.00 0.00 175.17 177.00 3gi9 n GLN 172 N -2.49 1.54 -2.43 8.23 7.27 -1.26 -4.76 117.38 123.47 3gi9 n GLN 172 Ca 0.11 0.54 -0.42 0.00 0.07 0.00 0.00 57.00 57.30 3gi9 n GLN 172 Cb 0.52 -2.07 -0.03 0.00 2.41 0.00 0.00 30.24 31.07 3gi9 n GLN 172 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3gi9 s ASP 173 N -0.60 7.09 0.00 1.69 2.15 0.28 -4.92 116.67 122.36 3gi9 s ASP 173 Ca 0.60 1.99 0.25 0.00 0.43 0.00 0.00 52.55 55.82 3gi9 s ASP 173 Cb -0.59 -2.58 1.37 0.00 -0.30 0.00 0.00 42.92 40.83 3gi9 s ASP 173 CO 0.59 -0.47 1.84 -1.54 -0.17 0.00 0.00 175.17 175.42 3gi9 n SER 174 N 4.05 0.00 -0.05 -0.34 3.41 -1.26 -1.67 113.62 117.76 3gi9 n SER 174 Ca 0.09 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.20 3gi9 n SER 174 Cb 0.46 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 3gi9 n SER 174 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gi9 n LYS 175 N -1.14 0.37 -0.10 4.33 4.76 -1.26 -2.92 118.16 122.20 3gi9 n LYS 175 Ca 0.15 0.15 0.09 0.00 -2.87 0.00 0.00 58.31 55.83 3gi9 n LYS 175 Cb 0.14 -1.15 0.13 0.00 -1.84 0.00 0.00 35.03 32.31 3gi9 n LYS 175 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gi9 n ASP 176 N -4.17 2.79 -1.87 4.39 3.85 -1.26 -4.85 116.55 115.44 3gi9 n ASP 176 Ca -0.10 -1.82 -0.19 0.00 -0.71 0.00 0.00 54.79 51.97 3gi9 n ASP 176 Cb 0.36 -0.13 -0.04 0.00 -1.35 0.00 0.00 41.12 39.97 3gi9 n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3gi9 n SER 177 N 1.00 -5.40 -5.00 -1.12 7.64 -0.67 -4.99 113.62 105.08 3gi9 n SER 177 Ca 0.13 0.19 -0.18 0.00 1.01 0.00 0.00 58.87 60.01 3gi9 n SER 177 Cb 0.46 -4.50 0.02 0.00 -1.01 0.00 0.00 64.21 59.19 3gi9 n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gi9 s THR 178 N -2.85 2.80 0.21 0.44 -4.23 -1.26 -4.68 115.64 106.08 3gi9 s THR 178 Ca 0.00 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3gi9 s THR 178 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3gi9 s THR 178 CO 0.00 0.00 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.70 3gi9 s TYR 179 N -2.47 2.65 0.05 3.99 2.02 0.04 -0.56 117.35 123.07 3gi9 s TYR 179 Ca 0.57 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 3gi9 s TYR 179 Cb -0.09 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 3gi9 s TYR 179 CO 0.35 0.55 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.66 3gi9 s SER 180 N -3.09 1.15 0.01 2.29 0.01 -1.26 -1.07 113.70 111.75 3gi9 s SER 180 Ca 0.27 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.99 3gi9 s SER 180 Cb -0.08 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3gi9 s SER 180 CO 0.17 -0.15 -0.07 -0.32 0.41 0.00 0.00 173.24 173.28 3gi9 s MET 181 N -1.58 0.53 -0.12 12.44 1.75 0.54 -1.30 119.30 131.56 3gi9 s MET 181 Ca -0.07 -0.42 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 3gi9 s MET 181 Cb -0.10 -0.46 -0.01 0.00 2.84 0.00 0.00 34.83 37.11 3gi9 s MET 181 CO 0.01 0.11 -0.15 0.45 -0.65 0.00 0.00 175.02 174.79 3gi9 s SER 182 N -0.65 3.82 -0.13 1.11 0.15 0.82 -0.99 113.70 117.84 3gi9 s SER 182 Ca -0.01 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3gi9 s SER 182 Cb -0.05 -1.54 0.02 0.00 -1.71 0.00 0.00 66.02 62.74 3gi9 s SER 182 CO 0.00 0.17 -0.13 -0.55 1.20 0.00 0.00 173.24 173.93 3gi9 s SER 183 N 0.31 2.48 -0.19 5.45 0.15 -0.64 -0.67 113.70 120.59 3gi9 s SER 183 Ca -0.12 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.12 3gi9 s SER 183 Cb -0.16 -1.07 0.02 0.00 -1.71 0.00 0.00 66.02 63.11 3gi9 s SER 183 CO 0.06 -0.05 -0.19 -0.89 1.20 0.00 0.00 173.24 173.37 3gi9 s THR 184 N 1.40 2.05 -0.42 6.45 2.01 -0.51 -0.63 115.64 125.98 3gi9 s THR 184 Ca 0.02 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 3gi9 s THR 184 Cb -0.13 -1.89 0.03 0.00 0.01 0.00 0.00 72.50 70.52 3gi9 s THR 184 CO -0.08 0.47 0.33 -0.22 -0.69 0.00 0.00 174.62 174.44 3gi9 s LEU 185 N 1.28 5.19 -0.25 4.42 2.96 0.06 -0.54 118.68 131.80 3gi9 s LEU 185 Ca 0.03 -0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 52.87 3gi9 s LEU 185 Cb -0.14 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3gi9 s LEU 185 CO -0.12 -0.50 0.20 -0.89 -1.32 0.00 0.00 176.35 173.72 3gi9 s THR 186 N 1.72 5.32 0.39 3.68 2.01 -0.59 -0.17 115.64 128.00 3gi9 s THR 186 Ca 0.06 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.35 3gi9 s THR 186 Cb -0.20 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 3gi9 s THR 186 CO 0.10 0.30 0.04 -0.76 -0.69 0.00 0.00 174.62 173.61 3gi9 s LEU 187 N 1.30 2.41 0.49 4.42 1.02 0.66 -4.62 118.68 124.35 3gi9 s LEU 187 Ca 0.09 -1.45 -0.16 0.00 0.02 0.00 0.00 54.13 52.63 3gi9 s LEU 187 Cb -0.14 -0.57 -0.08 0.00 0.02 0.00 0.00 46.19 45.41 3gi9 s LEU 187 CO 0.07 -0.63 0.95 0.42 0.02 0.00 0.00 176.35 177.18 3gi9 s THR 188 N -3.03 4.54 0.25 5.49 -4.23 -1.26 -1.04 115.64 116.37 3gi9 s THR 188 Ca 0.30 1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 61.97 3gi9 s THR 188 Cb 0.07 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.44 3gi9 s THR 188 CO 0.15 -0.61 1.82 0.50 -0.54 0.00 0.00 174.62 175.93 3gi9 h LYS 189 N 1.12 0.83 0.15 3.99 3.64 -1.75 0.01 116.57 124.56 3gi9 h LYS 189 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3gi9 h LYS 189 Cb 1.18 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3gi9 h LYS 189 CO 0.62 0.55 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.78 3gi9 h ASP 190 N 0.85 -0.34 0.50 4.20 3.32 -1.94 -2.19 116.42 120.83 3gi9 h ASP 190 Ca 0.42 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.38 3gi9 h ASP 190 Cb 0.38 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3gi9 h ASP 190 CO -0.25 -0.20 -0.54 -0.08 -1.72 0.00 0.00 179.24 176.45 3gi9 h GLU 191 N -0.30 0.04 -0.39 3.56 4.81 -1.87 -2.95 114.58 117.48 3gi9 h GLU 191 Ca -0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3gi9 h GLU 191 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3gi9 h GLU 191 CO -0.02 0.57 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.79 3gi9 h TYR 192 N 0.03 0.76 -0.00 0.92 3.20 -0.87 -3.14 116.97 117.87 3gi9 h TYR 192 Ca -0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3gi9 h TYR 192 Cb 0.97 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3gi9 h TYR 192 CO 0.00 0.78 -0.19 0.39 -1.64 0.00 0.00 178.16 177.50 3gi9 n GLU 193 N -4.17 0.10 -0.22 1.82 1.02 -0.84 -3.44 120.64 114.90 3gi9 n GLU 193 Ca 0.01 -0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 3gi9 n GLU 193 Cb 0.35 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.45 3gi9 n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gi9 n ARG 194 N -1.43 2.01 -4.14 3.49 1.74 -1.16 -4.90 116.66 112.26 3gi9 n ARG 194 Ca 0.08 -1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 55.64 3gi9 n ARG 194 Cb 0.33 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 3gi9 n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3gi9 s HIS 195 N -1.52 0.79 -0.00 -1.55 3.76 -1.22 -5.10 115.29 110.44 3gi9 s HIS 195 Ca 0.26 -1.15 -0.02 0.00 -0.15 0.00 0.00 55.06 54.01 3gi9 s HIS 195 Cb 0.14 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.35 3gi9 s HIS 195 CO 0.17 -0.43 -0.04 -1.71 -0.85 0.00 0.00 174.74 171.88 3gi9 n ASN 196 N -0.04 0.47 -4.58 1.40 2.85 -1.26 -4.78 115.26 109.31 3gi9 n ASN 196 Ca -0.08 0.07 -0.42 0.00 -0.11 0.00 0.00 54.58 54.03 3gi9 n ASN 196 Cb 0.63 -0.16 -0.05 0.00 1.24 0.00 0.00 39.78 41.43 3gi9 n ASN 196 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3gi9 s SER 197 N -5.45 6.51 -0.22 1.20 0.15 -1.26 -1.97 113.70 112.66 3gi9 s SER 197 Ca -0.04 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 3gi9 s SER 197 Cb 0.01 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 3gi9 s SER 197 CO 0.05 -0.73 -0.08 -0.31 1.20 0.00 0.00 173.24 173.38 3gi9 s TYR 198 N 3.05 2.95 -0.04 3.44 2.02 -0.82 -0.35 117.35 127.60 3gi9 s TYR 198 Ca 0.30 -1.24 0.03 0.00 -0.37 0.00 0.00 57.07 55.80 3gi9 s TYR 198 Cb -0.13 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 3gi9 s TYR 198 CO 0.17 -0.65 -0.14 0.99 -1.57 0.00 0.00 175.55 174.35 3gi9 s THR 199 N 1.40 1.21 -0.18 -0.71 2.01 -0.96 -1.98 115.64 116.43 3gi9 s THR 199 Ca 0.04 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.47 3gi9 s THR 199 Cb -0.15 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.34 3gi9 s THR 199 CO -0.05 0.36 -0.16 0.00 -0.69 0.00 0.00 174.62 174.07 3gi9 s GLU 201 N 1.33 3.24 -0.32 0.00 2.02 0.14 -1.28 118.70 123.82 3gi9 s GLU 201 Ca 0.02 -0.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 3gi9 s GLU 201 Cb -0.14 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 3gi9 s GLU 201 CO -0.11 -0.23 0.19 0.00 0.02 0.00 0.00 175.26 175.13 3gi9 s ALA 202 N 1.43 3.38 -0.18 5.21 0.00 0.15 0.12 121.76 131.86 3gi9 s ALA 202 Ca 0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 3gi9 s ALA 202 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3gi9 s ALA 202 CO -0.05 -0.90 0.01 0.99 0.00 0.00 0.00 175.76 175.81 3gi9 s THR 203 N 1.67 4.17 -0.04 0.00 2.01 -0.29 -0.83 115.64 122.32 3gi9 s THR 203 Ca 0.05 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 3gi9 s THR 203 Cb -0.17 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.48 3gi9 s THR 203 CO 0.08 0.45 0.16 -2.28 -0.69 0.00 0.00 174.62 172.34 3gi9 s HIS 204 N 0.66 -0.09 0.50 4.92 2.46 -1.26 -1.73 115.29 120.75 3gi9 s HIS 204 Ca 0.00 0.21 0.40 0.00 0.47 0.00 0.00 55.06 56.14 3gi9 s HIS 204 Cb -0.14 0.02 1.58 0.00 -0.13 0.00 0.00 32.58 33.91 3gi9 s HIS 204 CO 0.02 -0.17 1.62 -0.22 -2.47 0.00 0.00 174.74 173.51 3gi9 h LYS 205 N 5.19 0.03 0.00 2.88 3.64 -1.93 -0.92 116.57 125.46 3gi9 h LYS 205 Ca -0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3gi9 h LYS 205 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3gi9 h LYS 205 CO 0.40 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 3gi9 h THR 206 N 0.03 0.00 -2.28 1.00 1.03 -1.90 -3.43 112.91 107.37 3gi9 h THR 206 Ca 0.85 -0.20 -0.07 0.00 -0.01 0.00 0.00 66.41 66.98 3gi9 h THR 206 Cb 3.09 1.06 -0.22 0.00 -1.07 0.00 0.00 68.15 71.00 3gi9 h THR 206 CO -0.20 0.00 -0.01 -0.55 -0.01 0.00 0.00 175.52 174.75 3gi9 s SER 207 N -4.96 -0.64 0.46 0.00 0.15 -0.35 -5.03 113.70 103.34 3gi9 s SER 207 Ca -0.01 1.22 0.27 0.00 0.70 0.00 0.00 55.95 58.13 3gi9 s SER 207 Cb 0.10 1.23 0.74 0.00 -1.71 0.00 0.00 66.02 66.38 3gi9 s SER 207 CO 0.41 -0.21 1.75 0.71 1.20 0.00 0.00 173.24 177.10 3gi9 h THR 208 N 4.22 0.00 -3.49 6.45 1.35 -1.84 -3.37 112.91 116.23 3gi9 h THR 208 Ca -0.28 -0.78 -0.61 0.00 -0.55 0.00 0.00 66.41 64.18 3gi9 h THR 208 Cb 1.17 1.78 -0.12 0.00 -1.73 0.00 0.00 68.15 69.25 3gi9 h THR 208 CO 0.13 0.00 0.17 -0.55 -0.25 0.00 0.00 175.52 175.02 3gi9 s SER 209 N -5.89 6.56 0.33 5.36 0.15 -1.26 -5.03 113.70 113.92 3gi9 s SER 209 Ca 0.05 0.63 -0.28 0.00 0.70 0.00 0.00 55.95 57.05 3gi9 s SER 209 Cb 0.07 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 61.94 3gi9 s SER 209 CO 0.61 -0.41 1.23 -2.16 1.20 0.00 0.00 173.24 173.72 3gi9 s PRO 210 N 2.55 4.36 -0.03 5.44 0.04 -1.26 -4.90 135.00 141.20 3gi9 s PRO 210 Ca 0.26 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.08 3gi9 s PRO 210 Cb -0.15 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3gi9 s PRO 210 CO 0.09 -0.12 0.87 0.42 0.04 0.00 0.00 177.00 178.30 3gi9 s ILE 211 N -1.19 4.94 -0.10 0.56 1.01 -0.01 -4.83 121.20 121.58 3gi9 s ILE 211 Ca 0.49 1.81 0.04 0.00 0.00 0.00 0.00 60.65 62.99 3gi9 s ILE 211 Cb -0.36 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 37.90 3gi9 s ILE 211 CO 0.48 0.20 -0.23 -0.69 0.00 0.00 0.00 174.94 174.69 3gi9 s VAL 212 N 0.92 2.15 -0.06 2.92 1.01 -1.26 0.29 120.40 126.37 3gi9 s VAL 212 Ca 0.46 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3gi9 s VAL 212 Cb -0.20 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3gi9 s VAL 212 CO 0.24 0.56 -0.14 -0.54 0.00 0.00 0.00 175.10 175.22 3gi9 s LYS 213 N 0.27 1.78 0.07 2.72 -0.14 -0.41 -5.01 119.74 119.03 3gi9 s LYS 213 Ca -0.16 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.96 3gi9 s LYS 213 Cb -0.17 -1.47 -0.04 0.00 -1.68 0.00 0.00 37.83 34.46 3gi9 s LYS 213 CO 0.08 0.10 -0.05 -1.12 -0.76 0.00 0.00 175.35 173.60 3gi9 s SER 214 N 0.46 0.82 -0.05 2.83 0.01 -1.26 -0.77 113.70 115.73 3gi9 s SER 214 Ca -0.12 -0.97 -0.16 0.00 1.31 0.00 0.00 55.95 56.01 3gi9 s SER 214 Cb -0.14 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.26 3gi9 s SER 214 CO 0.04 -0.51 0.37 0.72 0.41 0.00 0.00 173.24 174.27 3gi9 s PHE 215 N -3.58 -0.30 -0.01 2.43 -0.12 -0.84 -5.03 117.98 110.53 3gi9 s PHE 215 Ca 0.08 0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 3gi9 s PHE 215 Cb 0.05 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 3gi9 s PHE 215 CO -0.07 -0.37 0.12 -0.80 -0.05 0.00 0.00 175.22 174.05 3gi9 s ASN 216 N -0.91 5.93 0.31 1.98 0.01 -1.26 -1.95 114.94 119.04 3gi9 s ASN 216 Ca -0.10 0.22 0.06 0.00 -0.71 0.00 0.00 52.86 52.33 3gi9 s ASN 216 Cb -0.04 -1.77 0.50 0.00 0.41 0.00 0.00 41.25 40.35 3gi9 s ASN 216 CO 0.04 0.27 1.74 0.03 -1.51 0.00 0.00 177.10 177.67 3gi9 h ARG 217 N 4.02 0.30 -4.82 -0.60 3.08 -1.70 -3.36 114.38 111.31 3gi9 h ARG 217 Ca -0.49 -0.12 -0.70 0.00 0.07 0.00 0.00 59.98 58.74 3gi9 h ARG 217 Cb 1.19 -0.01 -0.19 0.00 0.08 0.00 0.00 29.97 31.03 3gi9 h ARG 217 CO 0.64 0.60 0.47 -0.80 -1.07 0.00 0.00 179.97 179.81 3gi9 s ASN 218 N -6.86 6.44 0.00 7.04 -0.87 -1.26 -5.15 114.94 114.28 3gi9 s ASN 218 Ca -0.05 -1.79 0.00 0.00 -1.57 0.00 0.00 52.86 49.45 3gi9 s ASN 218 Cb 0.14 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 3gi9 s ASN 218 CO 0.77 -1.07 0.00 -0.62 -2.57 0.00 0.00 177.10 173.61