#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi8 s ILE 2 N 0.00 4.91 -0.19 0.53 1.01 -1.26 -5.00 121.20 121.21 3gi8 s ILE 2 Ca 0.00 1.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 3gi8 s ILE 2 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3gi8 s ILE 2 CO 0.00 0.16 0.18 -0.69 0.00 0.00 0.00 174.94 174.59 3gi8 s VAL 3 N 1.15 5.38 -0.21 2.92 1.01 -1.26 -4.77 120.40 124.61 3gi8 s VAL 3 Ca 0.46 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 3gi8 s VAL 3 Cb -0.19 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3gi8 s VAL 3 CO 0.23 0.42 0.01 -0.04 0.00 0.00 0.00 175.10 175.72 3gi8 s MET 4 N 0.43 3.61 -0.16 2.72 1.00 -1.26 -1.15 119.30 124.50 3gi8 s MET 4 Ca 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 55.69 55.29 3gi8 s MET 4 Cb -0.12 -3.12 0.01 0.00 0.00 0.00 0.00 34.83 31.60 3gi8 s MET 4 CO -0.00 -0.04 -0.20 0.99 0.00 0.00 0.00 175.02 175.77 3gi8 s THR 5 N 1.15 2.18 -0.11 2.05 2.01 0.56 -4.11 115.64 119.37 3gi8 s THR 5 Ca 0.03 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 3gi8 s THR 5 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3gi8 s THR 5 CO 0.02 0.54 -0.02 -1.10 -0.69 0.00 0.00 174.62 173.36 3gi8 s GLN 6 N 0.97 3.24 -0.02 4.92 -0.21 -1.26 0.12 119.66 127.42 3gi8 s GLN 6 Ca -0.03 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 54.93 3gi8 s GLN 6 Cb -0.15 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 3gi8 s GLN 6 CO -0.05 0.51 -0.14 -1.54 -2.12 0.00 0.00 175.29 171.95 3gi8 s SER 7 N -0.36 1.74 0.95 5.90 1.04 -0.99 -4.34 113.70 117.63 3gi8 s SER 7 Ca 0.06 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 3gi8 s SER 7 Cb -0.12 -0.32 0.14 0.00 0.10 0.00 0.00 66.02 65.81 3gi8 s SER 7 CO 0.02 0.15 0.84 -2.65 0.98 0.00 0.00 173.24 172.58 3gi8 n PRO 8 N 2.94 -0.71 0.14 4.02 -0.02 -1.26 -3.22 135.00 136.89 3gi8 n PRO 8 Ca -0.16 -1.40 0.01 0.00 -2.02 0.00 0.00 63.50 59.93 3gi8 n PRO 8 Cb 0.54 -0.83 0.32 0.00 -0.02 0.00 0.00 33.50 33.51 3gi8 n PRO 8 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3gi8 h SER 9 N -1.04 0.14 -4.48 2.55 0.02 -1.82 -3.42 113.55 105.50 3gi8 h SER 9 Ca -0.27 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 3gi8 h SER 9 Cb 0.78 -0.04 -0.21 0.00 0.14 0.00 0.00 62.40 63.07 3gi8 h SER 9 CO 0.20 0.46 0.05 -0.94 -1.14 0.00 0.00 176.83 175.46 3gi8 s SER 10 N -6.90 -0.60 0.03 3.07 1.04 -1.26 -0.41 113.70 108.67 3gi8 s SER 10 Ca -0.04 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.26 3gi8 s SER 10 Cb 0.14 0.88 -0.01 0.00 0.10 0.00 0.00 66.02 67.14 3gi8 s SER 10 CO 0.74 -0.39 0.08 -1.48 0.98 0.00 0.00 173.24 173.17 3gi8 s LEU 11 N -0.44 1.84 -0.16 2.42 2.34 -0.90 -4.94 118.68 118.83 3gi8 s LEU 11 Ca -0.06 -0.49 -0.01 0.00 0.06 0.00 0.00 54.13 53.63 3gi8 s LEU 11 Cb -0.03 0.53 -0.01 0.00 -0.56 0.00 0.00 46.19 46.13 3gi8 s LEU 11 CO 0.05 -0.46 -0.11 0.00 -1.06 0.00 0.00 176.35 174.76 3gi8 s ALA 12 N -2.31 2.65 0.02 1.48 0.00 -1.26 -2.43 121.76 119.91 3gi8 s ALA 12 Ca -0.08 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3gi8 s ALA 12 Cb -0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3gi8 s ALA 12 CO -0.03 -0.04 -0.10 -1.64 0.00 0.00 0.00 175.76 173.95 3gi8 s MET 13 N 0.82 0.73 0.32 0.00 -1.94 -0.92 -4.79 119.30 113.52 3gi8 s MET 13 Ca -0.04 -0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 53.34 3gi8 s MET 13 Cb -0.15 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 3gi8 s MET 13 CO 0.01 0.17 0.60 -1.54 -0.01 0.00 0.00 175.02 174.24 3gi8 s SER 14 N -0.82 6.43 0.08 3.03 1.04 -1.26 -0.17 113.70 122.04 3gi8 s SER 14 Ca -0.00 0.76 -0.36 0.00 0.48 0.00 0.00 55.95 56.83 3gi8 s SER 14 Cb -0.06 -2.17 -0.15 0.00 0.10 0.00 0.00 66.02 63.74 3gi8 s SER 14 CO 0.00 -0.25 1.47 0.52 0.98 0.00 0.00 173.24 175.96 3gi8 n VAL 15 N -1.14 0.04 0.00 5.02 0.31 -1.26 -1.77 118.33 119.54 3gi8 n VAL 15 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3gi8 n VAL 15 Cb 0.54 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3gi8 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gi8 n GLY 16 N 3.01 1.75 3.87 2.92 0.00 0.50 -4.94 105.19 112.29 3gi8 n GLY 16 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3gi8 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi8 s GLN 17 N -0.96 3.56 -0.25 1.61 -0.21 -0.73 -4.49 119.66 118.20 3gi8 s GLN 17 Ca 0.00 0.74 -0.18 0.00 0.02 0.00 0.00 55.36 55.94 3gi8 s GLN 17 Cb 0.00 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 3gi8 s GLN 17 CO 0.00 -0.59 0.51 0.21 -2.12 0.00 0.00 175.29 173.30 3gi8 s LYS 18 N -5.19 4.09 -0.17 2.91 2.20 -1.26 -0.93 119.74 121.40 3gi8 s LYS 18 Ca 0.55 0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 56.41 3gi8 s LYS 18 Cb -0.11 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 3gi8 s LYS 18 CO 0.54 -0.31 0.10 0.08 -0.36 0.00 0.00 175.35 175.40 3gi8 s VAL 19 N 2.16 5.16 -0.28 4.02 1.01 -0.19 -4.96 120.40 127.32 3gi8 s VAL 19 Ca 0.21 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3gi8 s VAL 19 Cb -0.16 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.98 3gi8 s VAL 19 CO 0.09 0.50 -0.05 0.28 0.00 0.00 0.00 175.10 175.92 3gi8 s THR 20 N -0.03 2.11 -0.15 3.92 -1.32 -1.26 -0.75 115.64 118.16 3gi8 s THR 20 Ca 0.08 -1.81 -0.13 0.00 -1.21 0.00 0.00 61.69 58.63 3gi8 s THR 20 Cb -0.12 -2.34 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 3gi8 s THR 20 CO 0.00 -0.23 0.27 -0.76 -2.21 0.00 0.00 174.62 171.70 3gi8 s LEU 21 N 1.08 4.27 0.01 9.08 1.43 0.10 -4.95 118.68 129.70 3gi8 s LEU 21 Ca -0.02 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 3gi8 s LEU 21 Cb -0.20 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3gi8 s LEU 21 CO -0.07 0.15 -0.05 -0.55 0.23 0.00 0.00 176.35 176.07 3gi8 s SER 22 N 0.21 4.76 -0.09 2.29 0.15 -1.20 -0.15 113.70 119.68 3gi8 s SER 22 Ca 0.16 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 3gi8 s SER 22 Cb -0.13 -1.14 0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3gi8 s SER 22 CO 0.04 0.28 0.20 0.00 1.20 0.00 0.00 173.24 174.96 3gi8 s LYS 24 N 1.36 1.80 0.11 0.00 1.02 0.12 -0.72 119.74 123.43 3gi8 s LYS 24 Ca -0.08 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 54.99 3gi8 s LYS 24 Cb -0.11 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3gi8 s LYS 24 CO -0.07 0.49 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.26 3gi8 s SER 25 N -0.96 4.69 0.32 2.83 1.04 -0.41 -0.33 113.70 120.88 3gi8 s SER 25 Ca 0.10 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3gi8 s SER 25 Cb -0.10 -1.00 0.54 0.00 0.10 0.00 0.00 66.02 65.57 3gi8 s SER 25 CO 0.01 0.16 1.86 0.28 0.98 0.00 0.00 173.24 176.53 3gi8 h SER 26 N 3.41 0.58 -3.83 7.02 0.02 -1.47 -3.44 113.55 115.83 3gi8 h SER 26 Ca -0.48 -0.11 -0.56 0.00 -0.84 0.00 0.00 61.79 59.80 3gi8 h SER 26 Cb 1.17 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 63.36 3gi8 h SER 26 CO 0.56 0.62 -0.81 -1.10 -1.14 0.00 0.00 176.83 174.96 3gi8 s GLN 27 N -5.03 1.24 0.20 3.45 -0.21 -1.26 -4.98 119.66 113.06 3gi8 s GLN 27 Ca -0.08 -1.30 -0.33 0.00 0.02 0.00 0.00 55.36 53.67 3gi8 s GLN 27 Cb 0.15 -1.45 -0.14 0.00 1.00 0.00 0.00 33.01 32.58 3gi8 s GLN 27 CO 0.78 0.32 1.44 0.45 -2.12 0.00 0.00 175.29 176.16 3gi8 n SER 28 N 0.70 2.70 -1.31 5.90 2.88 -1.26 -4.68 113.62 118.54 3gi8 n SER 28 Ca -0.16 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.59 3gi8 n SER 28 Cb 0.55 -1.40 0.31 0.00 -0.75 0.00 0.00 64.21 62.92 3gi8 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gi8 n LEU 29 N 2.59 4.20 -4.66 2.46 4.77 0.92 -4.92 117.00 122.35 3gi8 n LEU 29 Ca 0.14 -2.32 -0.40 0.00 -0.03 0.00 0.00 56.01 53.41 3gi8 n LEU 29 Cb 0.29 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3gi8 n LEU 29 CO 0.63 0.83 0.32 -0.22 -1.33 0.00 0.00 177.39 177.62 3gi8 s LEU 30 N -1.59 4.15 -0.43 2.23 2.96 -1.26 -1.29 118.68 123.45 3gi8 s LEU 30 Ca 0.45 0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 54.96 3gi8 s LEU 30 Cb 0.28 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 44.16 3gi8 s LEU 30 CO 0.24 -0.23 0.58 0.21 -1.32 0.00 0.00 176.35 175.83 3gi8 s ASN 31 N 1.16 6.29 0.40 3.68 3.04 -0.60 -4.97 114.94 123.94 3gi8 s ASN 31 Ca 0.27 -0.41 0.16 0.00 0.04 0.00 0.00 52.86 52.92 3gi8 s ASN 31 Cb -0.16 -2.29 0.85 0.00 -1.54 0.00 0.00 41.25 38.11 3gi8 s ASN 31 CO 0.10 -0.71 1.86 0.71 -3.04 0.00 0.00 177.10 176.02 3gi8 h THR 32 N 5.83 1.08 -3.29 -5.21 1.35 -1.95 -3.19 112.91 107.53 3gi8 h THR 32 Ca -0.26 -1.17 -0.57 0.00 -0.55 0.00 0.00 66.41 63.86 3gi8 h THR 32 Cb 1.10 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 3gi8 h THR 32 CO 0.86 0.32 0.00 -0.44 -0.25 0.00 0.00 175.52 176.01 3gi8 s SER 33 N -6.72 7.10 -0.75 5.36 0.01 -1.26 -4.41 113.70 113.03 3gi8 s SER 33 Ca -0.02 1.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.51 3gi8 s SER 33 Cb 0.14 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3gi8 s SER 33 CO 0.69 0.23 0.65 0.59 0.41 0.00 0.00 173.24 175.82 3gi8 n ASN 34 N 1.89 -6.44 -4.21 2.44 3.02 -1.26 -4.64 115.26 106.05 3gi8 n ASN 34 Ca -0.09 -0.43 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 3gi8 n ASN 34 Cb 0.50 -3.60 -0.01 0.00 -0.61 0.00 0.00 39.78 36.07 3gi8 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi8 n GLN 35 N -1.99 2.81 -4.41 3.52 10.64 -1.22 -4.79 117.38 121.94 3gi8 n GLN 35 Ca -0.14 -2.87 -0.26 0.00 -1.83 0.00 0.00 57.00 51.91 3gi8 n GLN 35 Cb 0.59 -3.41 -0.11 0.00 -0.86 0.00 0.00 30.24 26.46 3gi8 n GLN 35 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3gi8 s LYS 36 N 4.13 1.68 -0.24 2.61 1.02 -1.21 -4.90 119.74 122.82 3gi8 s LYS 36 Ca 0.53 -1.55 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 3gi8 s LYS 36 Cb 0.08 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3gi8 s LYS 36 CO 0.03 0.38 0.11 -0.80 -0.92 0.00 0.00 175.35 174.15 3gi8 s ASN 37 N -2.97 5.52 -1.33 2.83 -0.87 -1.26 -1.56 114.94 115.31 3gi8 s ASN 37 Ca 0.24 -0.08 -0.08 0.00 -1.57 0.00 0.00 52.86 51.37 3gi8 s ASN 37 Cb -0.07 -1.99 0.13 0.00 -0.02 0.00 0.00 41.25 39.29 3gi8 s ASN 37 CO 0.12 0.01 2.16 -1.22 -2.57 0.00 0.00 177.10 175.60 3gi8 n TYR 38 N 4.65 2.80 -4.95 2.20 0.53 -0.41 -3.17 117.16 118.81 3gi8 n TYR 38 Ca -0.16 -2.83 -0.28 0.00 -1.02 0.00 0.00 57.90 53.61 3gi8 n TYR 38 Cb 0.52 -1.97 -0.16 0.00 -1.03 0.00 0.00 39.34 36.69 3gi8 n TYR 38 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3gi8 s LEU 39 N -0.73 1.93 0.20 7.72 2.96 -1.26 -0.27 118.68 129.22 3gi8 s LEU 39 Ca 0.47 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 3gi8 s LEU 39 Cb 0.14 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3gi8 s LEU 39 CO -0.04 0.15 -0.16 0.00 -1.32 0.00 0.00 176.35 174.97 3gi8 s ALA 40 N 0.20 2.77 0.00 5.97 0.00 0.96 0.09 121.76 131.75 3gi8 s ALA 40 Ca -0.09 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.34 3gi8 s ALA 40 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3gi8 s ALA 40 CO 0.04 0.41 -0.25 -1.58 0.00 0.00 0.00 175.76 174.39 3gi8 s TRP 41 N -1.84 2.18 0.11 0.00 0.52 0.26 -1.07 118.94 119.10 3gi8 s TRP 41 Ca 0.24 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 56.03 3gi8 s TRP 41 Cb -0.08 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 3gi8 s TRP 41 CO 0.13 0.02 -0.19 0.71 0.02 0.00 0.00 176.95 177.63 3gi8 s TYR 42 N -0.65 1.71 -0.11 -1.98 1.51 0.94 -0.62 117.35 118.15 3gi8 s TYR 42 Ca 0.10 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3gi8 s TYR 42 Cb -0.09 -0.92 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3gi8 s TYR 42 CO 0.00 0.21 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.28 3gi8 s GLN 43 N -2.07 3.10 -0.21 -0.62 0.74 0.64 -1.61 119.66 119.62 3gi8 s GLN 43 Ca 0.07 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.64 3gi8 s GLN 43 Cb -0.09 -2.36 0.05 0.00 1.10 0.00 0.00 33.01 31.71 3gi8 s GLN 43 CO 0.04 0.17 -0.07 -1.14 -0.55 0.00 0.00 175.29 173.75 3gi8 s GLN 44 N 0.38 1.72 0.36 1.67 0.74 -0.12 0.30 119.66 124.72 3gi8 s GLN 44 Ca -0.17 -0.87 -0.09 0.00 0.05 0.00 0.00 55.36 54.28 3gi8 s GLN 44 Cb -0.18 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.43 3gi8 s GLN 44 CO 0.08 -0.52 0.70 0.15 -0.55 0.00 0.00 175.29 175.15 3gi8 s LYS 45 N 1.43 3.75 0.09 1.67 1.02 -1.26 -1.52 119.74 124.92 3gi8 s LYS 45 Ca -0.03 0.34 -0.34 0.00 0.02 0.00 0.00 55.97 55.96 3gi8 s LYS 45 Cb -0.17 -2.47 -0.14 0.00 -0.52 0.00 0.00 37.83 34.53 3gi8 s LYS 45 CO -0.07 0.05 1.64 -2.30 -0.92 0.00 0.00 175.35 173.75 3gi8 n PRO 46 N -1.12 2.08 0.00 -1.68 -0.02 -1.26 -1.24 135.00 131.76 3gi8 n PRO 46 Ca 0.01 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3gi8 n PRO 46 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3gi8 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi8 n GLY 47 N 3.61 2.93 3.97 -1.23 0.00 -1.26 -5.02 105.19 108.20 3gi8 n GLY 47 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3gi8 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi8 s GLN 48 N -0.28 3.09 0.57 1.61 -0.21 -0.37 -5.11 119.66 118.97 3gi8 s GLN 48 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 55.36 54.44 3gi8 s GLN 48 Cb 0.00 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 3gi8 s GLN 48 CO 0.00 -0.08 1.04 -1.54 -2.12 0.00 0.00 175.29 172.59 3gi8 s SER 49 N -4.19 6.02 0.60 5.90 1.04 -1.26 -4.64 113.70 117.17 3gi8 s SER 49 Ca 0.46 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 58.45 3gi8 s SER 49 Cb -0.10 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 3gi8 s SER 49 CO 0.34 -1.00 1.32 -2.84 0.98 0.00 0.00 173.24 172.04 3gi8 s PRO 50 N -4.07 2.81 -0.15 4.02 0.02 -1.26 -4.62 135.00 131.74 3gi8 s PRO 50 Ca 0.62 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.79 3gi8 s PRO 50 Cb -0.14 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3gi8 s PRO 50 CO 0.35 -1.42 -0.19 0.21 -0.33 0.00 0.00 177.00 175.63 3gi8 s LYS 51 N -3.18 2.78 0.09 5.54 2.20 0.15 -4.92 119.74 122.40 3gi8 s LYS 51 Ca 0.78 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 55.32 3gi8 s LYS 51 Cb -0.39 -2.35 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 3gi8 s LYS 51 CO 0.43 -0.13 1.71 -1.17 -0.36 0.00 0.00 175.35 175.83 3gi8 s LEU 52 N 1.12 4.38 -0.17 5.43 2.96 -1.26 -0.26 118.68 130.87 3gi8 s LEU 52 Ca -0.01 2.58 -0.09 0.00 -0.22 0.00 0.00 54.13 56.39 3gi8 s LEU 52 Cb -0.14 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 3gi8 s LEU 52 CO -0.07 -0.92 -0.23 0.18 -1.32 0.00 0.00 176.35 173.98 3gi8 n LEU 53 N 5.58 1.28 -4.00 -0.68 4.77 0.21 -4.77 117.00 119.39 3gi8 n LEU 53 Ca 0.16 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3gi8 n LEU 53 Cb 0.40 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.81 3gi8 n LEU 53 CO 0.64 0.32 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.91 3gi8 s VAL 54 N -2.34 0.58 0.14 4.08 1.01 -1.16 -0.58 120.40 122.13 3gi8 s VAL 54 Ca -0.25 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3gi8 s VAL 54 Cb 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3gi8 s VAL 54 CO 0.31 0.09 -0.09 -0.72 0.00 0.00 0.00 175.10 174.69 3gi8 s TYR 55 N -0.33 1.20 -1.56 5.22 1.13 -0.32 -0.58 117.35 122.11 3gi8 s TYR 55 Ca 0.01 -0.80 -0.14 0.00 -1.41 0.00 0.00 57.07 54.74 3gi8 s TYR 55 Cb -0.04 -0.63 0.10 0.00 -1.10 0.00 0.00 41.96 40.29 3gi8 s TYR 55 CO -0.00 0.03 0.87 1.19 -2.51 0.00 0.00 175.55 175.13 3gi8 n PHE 56 N -0.17 -2.07 0.00 -3.49 3.01 -0.77 -2.27 117.46 111.69 3gi8 n PHE 56 Ca -0.10 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.22 3gi8 n PHE 56 Cb 0.61 -3.68 0.00 0.00 -0.01 0.00 0.00 39.48 36.40 3gi8 n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gi8 n ALA 57 N -4.56 0.00 0.00 4.37 0.00 0.11 -4.18 120.51 116.26 3gi8 n ALA 57 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gi8 n ALA 57 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3gi8 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gi8 n SER 58 N 1.20 4.33 -4.66 0.00 3.41 -1.23 -2.85 113.62 113.81 3gi8 n SER 58 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3gi8 n SER 58 Cb 0.00 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 64.66 3gi8 n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gi8 s THR 59 N -1.76 4.95 0.40 6.66 -4.23 -0.96 -4.49 115.64 116.20 3gi8 s THR 59 Ca 0.00 1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 61.67 3gi8 s THR 59 Cb 0.00 -4.04 -0.08 0.00 1.34 0.00 0.00 72.50 69.71 3gi8 s THR 59 CO 0.00 0.06 1.23 -0.13 -0.54 0.00 0.00 174.62 175.24 3gi8 s ARG 60 N 2.05 4.01 0.35 3.99 0.52 -1.26 -1.18 118.95 127.44 3gi8 s ARG 60 Ca 0.34 1.98 -0.26 0.00 -0.52 0.00 0.00 55.73 57.26 3gi8 s ARG 60 Cb -0.16 -2.71 -0.09 0.00 0.52 0.00 0.00 34.95 32.51 3gi8 s ARG 60 CO 0.11 -0.40 1.04 -2.00 0.02 0.00 0.00 175.30 174.07 3gi8 s GLU 61 N -2.27 4.37 -0.02 3.54 2.56 0.25 -4.88 118.70 122.25 3gi8 s GLU 61 Ca 0.57 1.54 -0.37 0.00 0.00 0.00 0.00 54.97 56.71 3gi8 s GLU 61 Cb -0.34 -2.75 -0.15 0.00 2.00 0.00 0.00 34.13 32.89 3gi8 s GLU 61 CO 0.43 0.03 1.56 0.45 -0.56 0.00 0.00 175.26 177.17 3gi8 n SER 62 N 0.36 2.33 0.00 -1.70 2.88 -1.26 -2.03 113.62 114.20 3gi8 n SER 62 Ca 0.03 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3gi8 n SER 62 Cb 0.49 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3gi8 n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi8 n GLY 63 N 3.36 0.63 3.72 0.46 0.00 -1.26 -5.07 105.19 107.04 3gi8 n GLY 63 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3gi8 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gi8 s VAL 64 N -2.33 4.99 0.57 1.61 1.01 -0.86 -5.05 120.40 120.34 3gi8 s VAL 64 Ca 0.00 1.48 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 3gi8 s VAL 64 Cb 0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3gi8 s VAL 64 CO 0.00 0.27 0.66 -2.65 0.00 0.00 0.00 175.10 173.38 3gi8 n PRO 65 N 3.59 0.64 0.20 2.72 -0.02 -1.26 -4.91 135.00 135.96 3gi8 n PRO 65 Ca -0.01 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3gi8 n PRO 65 Cb 0.51 -1.83 0.61 0.00 -0.02 0.00 0.00 33.50 32.77 3gi8 n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gi8 h ASP 66 N 0.38 0.07 -1.17 2.55 3.45 -2.01 -2.82 116.42 116.86 3gi8 h ASP 66 Ca -0.46 -0.00 0.34 0.00 0.43 0.00 0.00 57.03 57.33 3gi8 h ASP 66 Cb 1.39 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 40.08 3gi8 h ASP 66 CO 0.49 0.05 0.83 0.03 -1.57 0.00 0.00 179.24 179.06 3gi8 h ARG 67 N 0.08 0.07 -5.38 3.56 3.08 -1.93 -3.40 114.38 110.47 3gi8 h ARG 67 Ca 0.04 -0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.47 3gi8 h ARG 67 Cb 0.06 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 29.97 3gi8 h ARG 67 CO -0.01 0.05 0.03 -0.06 -1.07 0.00 0.00 179.97 178.91 3gi8 s PHE 68 N -5.05 3.24 -0.10 3.04 0.40 -1.07 -0.93 117.98 117.51 3gi8 s PHE 68 Ca -0.06 0.55 -0.00 0.00 -0.60 0.00 0.00 56.93 56.82 3gi8 s PHE 68 Cb 0.24 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.95 3gi8 s PHE 68 CO 0.81 -0.38 -0.06 0.42 0.70 0.00 0.00 175.22 176.71 3gi8 s ILE 69 N 2.42 0.86 -0.07 0.64 -1.09 -0.27 -4.93 121.20 118.77 3gi8 s ILE 69 Ca 0.22 -0.20 -0.08 0.00 -2.23 0.00 0.00 60.65 58.36 3gi8 s ILE 69 Cb -0.15 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 3gi8 s ILE 69 CO 0.11 0.33 0.22 -0.83 -1.23 0.00 0.00 174.94 173.54 3gi8 s GLY 70 N 1.64 2.24 0.00 6.18 0.00 -1.26 -0.44 107.32 115.68 3gi8 s GLY 70 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3gi8 s GLY 70 CO -0.06 -0.30 0.00 -1.14 0.00 0.00 0.00 173.10 171.60 3gi8 n SER 71 N 1.73 0.00 0.00 1.64 3.41 -0.62 -4.16 113.62 115.62 3gi8 n SER 71 Ca -0.17 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3gi8 n SER 71 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3gi8 n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gi8 n GLY 72 N 0.00 1.05 3.40 5.00 0.00 -1.26 -1.99 105.19 111.40 3gi8 n GLY 72 Ca 0.00 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 3gi8 n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gi8 s SER 73 N 0.00 -0.46 0.08 1.61 0.15 0.34 -4.93 113.70 110.48 3gi8 s SER 73 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3gi8 s SER 73 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3gi8 s SER 73 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 3gi8 n GLY 74 N 1.08 0.42 0.01 9.45 0.00 -1.26 -1.66 105.19 113.23 3gi8 n GLY 74 Ca -0.20 0.62 0.01 0.00 0.00 0.00 0.00 46.02 46.45 3gi8 n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gi8 n THR 75 N 0.00 0.00 -5.07 2.61 -2.24 -1.26 -0.06 114.28 108.26 3gi8 n THR 75 Ca 0.00 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 3gi8 n THR 75 Cb 0.00 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 3gi8 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gi8 s ASP 76 N -0.94 2.98 0.04 3.42 1.01 -0.66 -1.29 116.67 121.23 3gi8 s ASP 76 Ca 0.01 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 3gi8 s ASP 76 Cb 0.01 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.55 3gi8 s ASP 76 CO 0.04 0.13 -0.04 -0.36 0.21 0.00 0.00 175.17 175.16 3gi8 s PHE 77 N 0.45 0.43 0.00 4.23 0.40 0.10 -0.50 117.98 123.10 3gi8 s PHE 77 Ca -0.17 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.47 3gi8 s PHE 77 Cb -0.17 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 3gi8 s PHE 77 CO 0.07 -0.24 -0.09 0.99 0.70 0.00 0.00 175.22 176.65 3gi8 s THR 78 N -2.38 0.73 -0.18 0.64 2.01 -0.84 -1.11 115.64 114.51 3gi8 s THR 78 Ca -0.06 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3gi8 s THR 78 Cb -0.03 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3gi8 s THR 78 CO -0.04 0.12 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.69 3gi8 s LEU 79 N -0.46 2.72 -0.16 4.42 2.96 0.79 -1.58 118.68 127.37 3gi8 s LEU 79 Ca 0.02 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3gi8 s LEU 79 Cb -0.05 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3gi8 s LEU 79 CO -0.00 0.05 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.11 3gi8 s THR 80 N 1.06 3.43 -0.38 3.68 2.01 0.42 0.02 115.64 125.88 3gi8 s THR 80 Ca 0.00 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 3gi8 s THR 80 Cb -0.15 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 69.90 3gi8 s THR 80 CO -0.02 0.49 0.22 -0.63 -0.69 0.00 0.00 174.62 173.99 3gi8 s ILE 81 N 0.59 4.61 0.33 1.82 1.01 0.07 -1.11 121.20 128.51 3gi8 s ILE 81 Ca -0.05 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3gi8 s ILE 81 Cb -0.15 -3.60 0.29 0.00 0.01 0.00 0.00 42.46 39.01 3gi8 s ILE 81 CO 0.03 -0.28 1.91 0.77 0.00 0.00 0.00 174.94 177.38 3gi8 h SER 82 N 8.46 0.80 -1.44 3.58 4.64 -1.32 -0.49 113.55 127.77 3gi8 h SER 82 Ca -0.25 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3gi8 h SER 82 Cb 1.10 -0.15 -0.25 0.00 -0.31 0.00 0.00 62.40 62.78 3gi8 h SER 82 CO 0.68 0.49 -0.39 -0.55 -0.87 0.00 0.00 176.83 176.20 3gi8 s SER 83 N -6.01 -0.56 0.31 4.97 0.15 -1.25 -4.06 113.70 107.24 3gi8 s SER 83 Ca -0.11 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.72 3gi8 s SER 83 Cb 0.20 1.62 -0.10 0.00 -1.71 0.00 0.00 66.02 66.04 3gi8 s SER 83 CO 0.79 -0.29 1.21 0.68 1.20 0.00 0.00 173.24 176.83 3gi8 s VAL 84 N 2.70 3.08 0.12 4.45 -7.23 -0.11 -4.75 120.40 118.66 3gi8 s VAL 84 Ca 0.16 1.08 0.07 0.00 -1.81 0.00 0.00 61.98 61.49 3gi8 s VAL 84 Cb -0.15 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 3gi8 s VAL 84 CO -0.20 0.25 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.64 3gi8 s GLN 85 N -1.65 2.09 0.46 4.82 -0.21 -1.26 -0.37 119.66 123.53 3gi8 s GLN 85 Ca 0.47 -1.07 0.29 0.00 0.02 0.00 0.00 55.36 55.07 3gi8 s GLN 85 Cb -0.36 -2.27 1.36 0.00 1.00 0.00 0.00 33.01 32.74 3gi8 s GLN 85 CO 0.47 0.49 1.73 0.00 -2.12 0.00 0.00 175.29 175.87 3gi8 h ALA 86 N 3.52 2.74 -0.01 6.09 0.00 -1.91 0.22 119.26 129.90 3gi8 h ALA 86 Ca -0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gi8 h ALA 86 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gi8 h ALA 86 CO 0.52 -1.19 0.00 -0.85 0.00 0.00 0.00 179.25 177.73 3gi8 n GLU 87 N -4.46 1.10 0.00 0.00 -0.00 -1.16 -3.61 120.64 112.51 3gi8 n GLU 87 Ca 0.30 -0.15 0.14 0.00 -0.00 0.00 0.00 57.16 57.45 3gi8 n GLU 87 Cb 1.21 -1.39 0.67 0.00 -0.00 0.00 0.00 31.44 31.93 3gi8 n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gi8 n ASP 88 N -0.72 0.18 -4.68 -1.84 8.00 0.77 -4.86 116.55 113.39 3gi8 n ASP 88 Ca 0.18 -0.21 -0.45 0.00 0.71 0.00 0.00 54.79 55.02 3gi8 n ASP 88 Cb 0.12 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 3gi8 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gi8 n LEU 89 N -1.21 3.70 0.00 0.64 -0.00 -1.24 -4.88 117.00 114.01 3gi8 n LEU 89 Ca 0.13 1.00 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 3gi8 n LEU 89 Cb 0.27 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.22 3gi8 n LEU 89 CO 0.24 0.02 0.00 -1.54 -0.00 0.00 0.00 177.39 176.11 3gi8 n SER 90 N 5.57 0.00 -4.50 1.45 3.41 -1.02 -4.85 113.62 113.68 3gi8 n SER 90 Ca 0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.44 3gi8 n SER 90 Cb 0.34 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 3gi8 n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gi8 s ASP 91 N 0.00 5.31 -0.23 4.04 3.68 -0.58 -0.41 116.67 128.49 3gi8 s ASP 91 Ca 0.00 -0.13 -0.09 0.00 2.13 0.00 0.00 52.55 54.46 3gi8 s ASP 91 Cb 0.00 -1.95 -0.04 0.00 -1.45 0.00 0.00 42.92 39.48 3gi8 s ASP 91 CO 0.00 0.01 0.12 -0.36 0.13 0.00 0.00 175.17 175.06 3gi8 s PHE 92 N 1.38 3.25 -0.09 -5.34 0.08 -0.02 -0.94 117.98 116.30 3gi8 s PHE 92 Ca 0.05 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.20 3gi8 s PHE 92 Cb -0.15 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 3gi8 s PHE 92 CO 0.04 0.00 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.92 3gi8 s PHE 93 N 1.00 2.65 0.29 0.36 0.08 -0.63 -0.19 117.98 121.54 3gi8 s PHE 93 Ca 0.06 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 3gi8 s PHE 93 Cb -0.14 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 3gi8 s PHE 93 CO 0.04 -0.13 0.54 0.00 -0.10 0.00 0.00 175.22 175.57 3gi8 s GLN 95 N -3.67 0.28 0.14 0.00 0.74 -0.23 -0.66 119.66 116.26 3gi8 s GLN 95 Ca 0.43 0.73 -0.30 0.00 0.05 0.00 0.00 55.36 56.27 3gi8 s GLN 95 Cb -0.11 -0.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.93 3gi8 s GLN 95 CO 0.31 -0.19 1.13 1.14 -0.55 0.00 0.00 175.29 177.13 3gi8 s GLN 96 N 1.69 4.54 -0.47 1.67 1.03 -1.09 -0.03 119.66 127.00 3gi8 s GLN 96 Ca -0.07 1.73 0.04 0.00 0.04 0.00 0.00 55.36 57.11 3gi8 s GLN 96 Cb -0.10 -3.30 0.42 0.00 0.03 0.00 0.00 33.01 30.06 3gi8 s GLN 96 CO -0.11 -0.04 1.31 -2.39 -2.54 0.00 0.00 175.29 171.52 3gi8 n HIS 97 N 2.89 3.18 -0.02 9.60 1.44 0.63 -4.13 115.22 128.80 3gi8 n HIS 97 Ca 0.05 -2.78 -0.02 0.00 -2.01 0.00 0.00 57.72 52.96 3gi8 n HIS 97 Cb 0.46 -0.37 -0.01 0.00 0.12 0.00 0.00 29.99 30.19 3gi8 n HIS 97 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 3gi8 n TYR 98 N -0.57 0.20 -4.48 -1.40 9.36 -1.25 -4.87 117.16 114.14 3gi8 n TYR 98 Ca 0.44 0.09 -0.28 0.00 3.32 0.00 0.00 57.90 61.47 3gi8 n TYR 98 Cb 0.68 -0.33 -0.13 0.00 -0.63 0.00 0.00 39.34 38.93 3gi8 n TYR 98 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3gi8 s SER 99 N -4.31 3.04 0.25 2.98 1.04 -1.26 -5.06 113.70 110.37 3gi8 s SER 99 Ca -0.06 -0.69 -0.05 0.00 0.48 0.00 0.00 55.95 55.64 3gi8 s SER 99 Cb 0.01 -0.21 0.47 0.00 0.10 0.00 0.00 66.02 66.39 3gi8 s SER 99 CO 0.09 0.16 1.35 0.35 0.98 0.00 0.00 173.24 176.17 3gi8 n THR 100 N 1.18 -0.36 -2.25 2.02 -2.24 -1.26 -3.58 114.28 107.80 3gi8 n THR 100 Ca -0.18 1.96 -0.33 0.00 -2.27 0.00 0.00 64.05 63.23 3gi8 n THR 100 Cb 0.53 -2.75 -0.04 0.00 -2.10 0.00 0.00 70.33 65.97 3gi8 n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3gi8 s PRO 101 N -6.02 2.98 0.24 -0.78 0.04 -1.26 -4.93 135.00 125.28 3gi8 s PRO 101 Ca -0.13 -0.96 -0.30 0.00 0.04 0.00 0.00 61.00 59.66 3gi8 s PRO 101 Cb 0.24 -5.25 -0.10 0.00 0.04 0.00 0.00 34.50 29.44 3gi8 s PRO 101 CO 0.67 -3.11 1.39 0.71 0.04 0.00 0.00 177.00 176.70 3gi8 s TYR 102 N 8.34 3.10 0.04 0.56 1.51 -1.23 -4.74 117.35 124.91 3gi8 s TYR 102 Ca 0.62 1.12 0.03 0.00 -1.01 0.00 0.00 57.07 57.83 3gi8 s TYR 102 Cb -0.02 -3.74 -0.02 0.00 -0.11 0.00 0.00 41.96 38.07 3gi8 s TYR 102 CO 0.02 -2.34 -0.09 0.95 -1.11 0.00 0.00 175.55 172.98 3gi8 s THR 103 N -0.07 0.71 0.20 -0.71 -4.23 -1.26 -5.06 115.64 105.22 3gi8 s THR 103 Ca 0.57 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 3gi8 s THR 103 Cb -0.40 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 3gi8 s THR 103 CO 0.42 -0.19 0.06 -0.36 -0.54 0.00 0.00 174.62 174.01 3gi8 s PHE 104 N -1.04 2.93 0.70 3.99 0.08 -1.26 -2.66 117.98 120.72 3gi8 s PHE 104 Ca -0.04 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 3gi8 s PHE 104 Cb -0.08 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3gi8 s PHE 104 CO 0.01 0.54 1.06 0.20 -0.10 0.00 0.00 175.22 176.93 3gi8 s GLY 105 N -3.23 1.69 0.00 4.36 0.00 0.17 -4.48 107.32 105.82 3gi8 s GLY 105 Ca 0.30 0.12 0.11 0.00 0.00 0.00 0.00 44.72 45.24 3gi8 s GLY 105 CO 0.21 0.43 1.12 0.61 0.00 0.00 0.00 173.10 175.46 3gi8 n GLY 106 N -1.88 -0.38 0.00 0.20 0.00 -1.26 -4.67 105.19 97.20 3gi8 n GLY 106 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gi8 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi8 n GLY 107 N -0.31 -0.19 3.02 -0.02 0.00 -1.26 -4.99 105.19 101.44 3gi8 n GLY 107 Ca 0.08 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 3gi8 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi8 s THR 108 N -2.98 1.59 -0.24 2.61 2.01 0.74 -4.62 115.64 114.76 3gi8 s THR 108 Ca 0.00 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.09 3gi8 s THR 108 Cb 0.00 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 3gi8 s THR 108 CO 0.00 0.43 0.74 -0.75 -0.69 0.00 0.00 174.62 174.35 3gi8 s LYS 109 N 1.47 4.17 -0.33 4.92 2.20 0.45 -0.84 119.74 131.79 3gi8 s LYS 109 Ca 0.04 0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 3gi8 s LYS 109 Cb -0.13 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 3gi8 s LYS 109 CO -0.11 -0.44 0.17 -1.17 -0.36 0.00 0.00 175.35 173.45 3gi8 s LEU 110 N 2.59 4.32 -0.03 5.43 2.96 0.46 -2.12 118.68 132.27 3gi8 s LEU 110 Ca 0.32 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3gi8 s LEU 110 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3gi8 s LEU 110 CO 0.08 -0.25 0.06 -1.83 -1.32 0.00 0.00 176.35 173.09 3gi8 s GLU 111 N 1.60 3.06 -0.17 1.98 -1.05 -1.02 -2.44 118.70 120.67 3gi8 s GLU 111 Ca 0.04 -0.44 -0.27 0.00 -0.15 0.00 0.00 54.97 54.15 3gi8 s GLU 111 Cb -0.18 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.64 3gi8 s GLU 111 CO 0.07 0.67 0.91 0.42 0.95 0.00 0.00 175.26 178.28 3gi8 s ILE 112 N -1.10 4.82 0.23 1.83 -1.09 -1.26 -2.17 121.20 122.46 3gi8 s ILE 112 Ca 0.20 1.80 -0.28 0.00 -2.23 0.00 0.00 60.65 60.13 3gi8 s ILE 112 Cb -0.12 -4.21 -0.09 0.00 -1.58 0.00 0.00 42.46 36.47 3gi8 s ILE 112 CO 0.10 -0.02 0.89 -0.75 -1.23 0.00 0.00 174.94 173.94 3gi8 s LYS 113 N 2.31 4.75 0.34 2.79 2.20 0.76 -4.86 119.74 128.02 3gi8 s LYS 113 Ca 0.42 1.38 -0.01 0.00 -0.36 0.00 0.00 55.97 57.39 3gi8 s LYS 113 Cb -0.17 -3.23 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3gi8 s LYS 113 CO 0.12 0.51 0.43 -0.98 -0.36 0.00 0.00 175.35 175.08 3gi8 s ARG 114 N -1.26 1.87 0.38 4.03 1.70 -1.26 -4.15 118.95 120.25 3gi8 s ARG 114 Ca 0.40 -1.80 -0.27 0.00 -0.47 0.00 0.00 55.73 53.60 3gi8 s ARG 114 Cb -0.24 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 3gi8 s ARG 114 CO 0.30 -0.76 1.35 0.00 -1.08 0.00 0.00 175.30 175.11 3gi8 s ALA 115 N -3.16 3.39 0.33 7.88 0.00 -1.26 -4.94 121.76 124.00 3gi8 s ALA 115 Ca 0.32 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.33 3gi8 s ALA 115 Cb 0.00 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 3gi8 s ALA 115 CO 0.21 -0.85 1.38 -0.25 0.00 0.00 0.00 175.76 176.24 3gi8 n ASP 116 N 0.36 3.10 -3.91 0.00 8.00 -1.26 -4.82 116.55 118.01 3gi8 n ASP 116 Ca 0.02 1.20 -0.16 0.00 0.71 0.00 0.00 54.79 56.56 3gi8 n ASP 116 Cb 0.42 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.85 3gi8 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gi8 s ALA 117 N -0.90 0.39 0.35 2.24 0.00 -0.22 -4.92 121.76 118.71 3gi8 s ALA 117 Ca 0.57 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 3gi8 s ALA 117 Cb -0.55 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 3gi8 s ALA 117 CO 0.60 0.05 1.00 0.00 0.00 0.00 0.00 175.76 177.41 3gi8 s ALA 118 N 0.22 3.17 0.45 0.00 0.00 -1.26 -1.71 121.76 122.63 3gi8 s ALA 118 Ca -0.02 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 3gi8 s ALA 118 Cb -0.05 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 3gi8 s ALA 118 CO -0.00 -0.00 1.16 -1.25 0.00 0.00 0.00 175.76 175.66 3gi8 s PRO 119 N -2.23 3.81 -0.20 0.00 0.04 -1.26 -4.51 135.00 130.65 3gi8 s PRO 119 Ca 0.53 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 3gi8 s PRO 119 Cb -0.20 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 3gi8 s PRO 119 CO 0.26 -0.51 0.74 0.99 0.04 0.00 0.00 177.00 178.52 3gi8 s THR 120 N -1.55 4.93 -0.17 1.26 2.01 -0.32 -4.84 115.64 116.96 3gi8 s THR 120 Ca 0.63 1.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.99 3gi8 s THR 120 Cb -0.28 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3gi8 s THR 120 CO 0.34 0.04 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.61 3gi8 s VAL 121 N 2.22 4.04 -0.00 3.82 1.01 -1.26 -1.09 120.40 129.14 3gi8 s VAL 121 Ca 0.33 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3gi8 s VAL 121 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3gi8 s VAL 121 CO 0.10 0.47 -0.15 -0.44 0.00 0.00 0.00 175.10 175.08 3gi8 s SER 122 N 0.52 1.78 -0.04 3.32 0.01 -0.48 -4.96 113.70 113.85 3gi8 s SER 122 Ca -0.02 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.00 3gi8 s SER 122 Cb -0.14 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 3gi8 s SER 122 CO 0.02 0.17 -0.22 -0.51 0.41 0.00 0.00 173.24 173.10 3gi8 s ILE 123 N -0.43 2.34 -0.08 1.44 2.07 -1.26 -0.78 121.20 124.50 3gi8 s ILE 123 Ca 0.05 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 3gi8 s ILE 123 Cb -0.06 -1.85 0.02 0.00 0.13 0.00 0.00 42.46 40.70 3gi8 s ILE 123 CO -0.00 0.58 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.18 3gi8 s PHE 124 N -0.55 1.24 0.62 3.50 0.40 0.62 -5.00 117.98 118.82 3gi8 s PHE 124 Ca 0.08 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 3gi8 s PHE 124 Cb -0.11 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 3gi8 s PHE 124 CO 0.00 -0.38 1.11 -2.14 0.70 0.00 0.00 175.22 174.52 3gi8 s PRO 125 N 1.35 2.98 0.14 0.24 0.02 -1.26 -2.41 135.00 136.06 3gi8 s PRO 125 Ca -0.03 1.44 -0.33 0.00 0.02 0.00 0.00 61.00 62.10 3gi8 s PRO 125 Cb -0.14 -1.97 -0.17 0.00 0.02 0.00 0.00 34.50 32.24 3gi8 s PRO 125 CO -0.03 -1.12 0.97 -2.30 -0.33 0.00 0.00 177.00 174.19 3gi8 n PRO 126 N -2.09 0.57 -1.73 5.54 -0.02 -1.21 -4.86 135.00 131.21 3gi8 n PRO 126 Ca 0.11 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3gi8 n PRO 126 Cb 0.52 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.42 3gi8 n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gi8 n SER 127 N 1.85 3.29 -0.20 2.55 2.88 -1.26 -4.83 113.62 117.90 3gi8 n SER 127 Ca 0.17 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 3gi8 n SER 127 Cb 0.21 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 3gi8 n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3gi8 n SER 128 N 1.08 0.13 0.00 -3.46 2.88 -1.26 -2.10 113.62 110.89 3gi8 n SER 128 Ca 0.05 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 3gi8 n SER 128 Cb 0.36 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 3gi8 n SER 128 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3gi8 n GLU 129 N -0.17 0.00 0.05 -1.46 0.28 -1.26 -4.75 120.64 113.34 3gi8 n GLU 129 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 3gi8 n GLU 129 Cb 0.03 -0.01 -0.02 0.00 1.43 0.00 0.00 31.44 32.87 3gi8 n GLU 129 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3gi8 h GLN 130 N 0.00 0.44 0.00 3.44 4.15 -1.72 -3.36 115.11 118.07 3gi8 h GLN 130 Ca 0.00 -0.41 -0.17 0.00 0.77 0.00 0.00 58.65 58.83 3gi8 h GLN 130 Cb 0.01 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3gi8 h GLN 130 CO 0.00 1.06 -0.82 1.37 -1.93 0.00 0.00 178.83 178.52 3gi8 h LEU 131 N 0.28 0.00 -0.76 -2.39 8.10 -1.49 -2.61 115.31 116.45 3gi8 h LEU 131 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.93 3gi8 h LEU 131 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.67 3gi8 h LEU 131 CO 0.15 0.82 0.00 0.35 -4.11 0.00 0.00 178.44 175.64 3gi8 n THR 132 N -3.39 0.00 -0.65 0.15 -2.24 -1.26 -1.12 114.28 105.77 3gi8 n THR 132 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gi8 n THR 132 Cb 0.83 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3gi8 n THR 132 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gi8 n SER 133 N 0.09 0.20 0.00 3.42 2.88 -0.99 -5.04 113.62 114.18 3gi8 n SER 133 Ca 0.00 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 3gi8 n SER 133 Cb 0.08 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 3gi8 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi8 n GLY 134 N 0.04 0.24 3.73 0.46 0.00 -0.28 -5.07 105.19 104.30 3gi8 n GLY 134 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3gi8 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gi8 s GLY 135 N -2.06 1.84 -0.16 -0.02 0.00 -1.17 -1.72 107.32 104.04 3gi8 s GLY 135 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 3gi8 s GLY 135 CO 0.00 -1.17 0.14 0.00 0.00 0.00 0.00 173.10 172.07 3gi8 s ALA 136 N -1.53 0.08 -0.16 3.20 0.00 -0.53 -3.06 121.76 119.77 3gi8 s ALA 136 Ca 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3gi8 s ALA 136 Cb -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 3gi8 s ALA 136 CO 0.20 -1.04 -0.12 -1.12 0.00 0.00 0.00 175.76 173.68 3gi8 s SER 137 N 2.23 3.91 -0.19 0.00 0.01 -1.26 -0.07 113.70 118.34 3gi8 s SER 137 Ca 0.04 -0.40 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 3gi8 s SER 137 Cb -0.15 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 3gi8 s SER 137 CO -0.09 0.10 0.07 -0.69 0.41 0.00 0.00 173.24 173.04 3gi8 s VAL 138 N 0.75 4.86 -0.06 3.43 1.01 0.14 -3.32 120.40 127.22 3gi8 s VAL 138 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3gi8 s VAL 138 Cb -0.15 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3gi8 s VAL 138 CO 0.01 0.45 -0.20 -0.69 0.00 0.00 0.00 175.10 174.68 3gi8 s VAL 139 N 0.41 1.67 -0.10 2.92 1.01 -1.01 0.36 120.40 125.65 3gi8 s VAL 139 Ca 0.04 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3gi8 s VAL 139 Cb -0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gi8 s VAL 139 CO 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.38 3gi8 s PHE 141 N 0.19 3.36 -0.40 0.00 0.08 0.04 -0.70 117.98 120.55 3gi8 s PHE 141 Ca -0.11 0.29 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 3gi8 s PHE 141 Cb -0.16 -2.23 0.10 0.00 -0.57 0.00 0.00 43.02 40.15 3gi8 s PHE 141 CO 0.06 0.16 0.19 -0.51 -0.10 0.00 0.00 175.22 175.02 3gi8 s LEU 142 N 0.76 5.04 0.00 -0.37 1.02 0.43 -1.38 118.68 124.18 3gi8 s LEU 142 Ca 0.08 -1.81 0.03 0.00 0.02 0.00 0.00 54.13 52.45 3gi8 s LEU 142 Cb -0.12 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 3gi8 s LEU 142 CO 0.02 -0.51 -0.08 0.20 0.02 0.00 0.00 176.35 176.01 3gi8 s ASN 143 N 1.83 4.56 -1.14 2.29 0.02 -0.25 0.04 114.94 122.29 3gi8 s ASN 143 Ca 0.05 -0.16 -0.10 0.00 -1.02 0.00 0.00 52.86 51.63 3gi8 s ASN 143 Cb -0.23 -1.05 -0.03 0.00 0.02 0.00 0.00 41.25 39.97 3gi8 s ASN 143 CO -0.02 0.29 0.84 0.59 0.02 0.00 0.00 177.10 178.81 3gi8 n ASN 144 N 1.61 -4.96 -4.44 -1.22 3.02 -0.87 -1.18 115.26 107.22 3gi8 n ASN 144 Ca -0.16 -0.84 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 3gi8 n ASN 144 Cb 0.52 -4.33 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 3gi8 n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3gi8 s PHE 145 N -3.47 2.17 -0.19 3.10 -0.71 0.03 -4.59 117.98 114.33 3gi8 s PHE 145 Ca 0.36 -0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 55.72 3gi8 s PHE 145 Cb -0.09 -0.96 0.05 0.00 -1.21 0.00 0.00 43.02 40.81 3gi8 s PHE 145 CO 0.80 0.63 0.50 -0.47 -1.34 0.00 0.00 175.22 175.33 3gi8 s TYR 146 N -2.51 -0.61 0.47 3.49 5.04 -0.69 -0.46 117.35 122.08 3gi8 s TYR 146 Ca 0.27 1.40 -0.08 0.00 -2.44 0.00 0.00 57.07 56.22 3gi8 s TYR 146 Cb -0.04 0.25 0.11 0.00 0.35 0.00 0.00 41.96 42.62 3gi8 s TYR 146 CO 0.13 -0.31 0.55 -0.35 -1.34 0.00 0.00 175.55 174.23 3gi8 n PRO 147 N 3.29 -1.06 0.22 4.97 -0.04 -1.26 -1.05 135.00 140.07 3gi8 n PRO 147 Ca -0.16 -0.85 0.12 0.00 -0.04 0.00 0.00 63.50 62.56 3gi8 n PRO 147 Cb 0.56 -0.64 0.20 0.00 -0.04 0.00 0.00 33.50 33.58 3gi8 n PRO 147 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3gi8 h LYS 148 N 0.00 0.00 -6.32 0.54 2.10 -1.99 -3.45 116.57 107.45 3gi8 h LYS 148 Ca -0.19 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.92 3gi8 h LYS 148 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3gi8 h LYS 148 CO 0.13 0.02 1.12 -0.51 -2.00 0.00 0.00 179.45 178.20 3gi8 s ASP 149 N -6.19 6.59 -0.23 7.07 1.11 -1.26 -4.98 116.67 118.78 3gi8 s ASP 149 Ca 0.07 2.41 -0.20 0.00 0.18 0.00 0.00 52.55 55.00 3gi8 s ASP 149 Cb 0.05 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.57 3gi8 s ASP 149 CO 0.66 -0.96 0.62 -0.51 1.18 0.00 0.00 175.17 176.16 3gi8 s ILE 150 N 3.95 -0.00 -0.14 0.77 2.07 -1.26 -4.66 121.20 121.93 3gi8 s ILE 150 Ca 0.78 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.99 3gi8 s ILE 150 Cb -0.37 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 3gi8 s ILE 150 CO 0.34 0.00 -0.03 0.21 -1.91 0.00 0.00 174.94 173.54 3gi8 s ASN 151 N 0.50 4.85 -0.23 4.50 2.47 -0.23 -4.97 114.94 121.82 3gi8 s ASN 151 Ca -0.01 -0.09 -0.03 0.00 0.42 0.00 0.00 52.86 53.15 3gi8 s ASN 151 Cb -0.05 -1.71 0.01 0.00 -1.45 0.00 0.00 41.25 38.05 3gi8 s ASN 151 CO -0.02 0.20 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.83 3gi8 s VAL 152 N 0.15 3.16 -0.26 -5.21 1.01 -1.26 -0.10 120.40 117.90 3gi8 s VAL 152 Ca -0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3gi8 s VAL 152 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3gi8 s VAL 152 CO 0.03 0.32 0.13 -0.54 0.00 0.00 0.00 175.10 175.03 3gi8 s LYS 153 N 1.41 3.84 -0.01 2.72 -0.14 0.13 -4.92 119.74 122.77 3gi8 s LYS 153 Ca 0.03 -0.38 -0.15 0.00 -1.36 0.00 0.00 55.97 54.11 3gi8 s LYS 153 Cb -0.15 -3.48 -0.06 0.00 -1.68 0.00 0.00 37.83 32.46 3gi8 s LYS 153 CO -0.04 -0.13 0.42 -1.58 -0.76 0.00 0.00 175.35 173.26 3gi8 s TRP 154 N 1.55 3.71 -0.07 3.18 0.52 -1.26 0.39 118.94 126.95 3gi8 s TRP 154 Ca 0.06 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.20 3gi8 s TRP 154 Cb -0.15 -2.33 0.01 0.00 -1.15 0.00 0.00 33.47 29.85 3gi8 s TRP 154 CO 0.07 0.58 -0.13 0.15 0.02 0.00 0.00 176.95 177.64 3gi8 s LYS 155 N -0.87 1.81 -0.30 4.98 1.02 0.17 -1.80 119.74 124.76 3gi8 s LYS 155 Ca 0.24 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 3gi8 s LYS 155 Cb -0.17 -1.49 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 3gi8 s LYS 155 CO 0.13 0.02 0.08 0.42 -0.92 0.00 0.00 175.35 175.09 3gi8 s ILE 156 N 0.69 3.95 -1.28 2.17 -1.09 0.86 -1.21 121.20 125.29 3gi8 s ILE 156 Ca -0.14 -0.71 -0.21 0.00 -2.23 0.00 0.00 60.65 57.36 3gi8 s ILE 156 Cb -0.16 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.70 3gi8 s ILE 156 CO 0.04 0.07 0.57 0.47 -1.23 0.00 0.00 174.94 174.86 3gi8 n ASP 157 N 4.86 -3.09 0.00 3.58 10.43 -0.06 -2.09 116.55 130.18 3gi8 n ASP 157 Ca -0.14 -1.18 0.00 0.00 2.57 0.00 0.00 54.79 56.04 3gi8 n ASP 157 Cb 0.48 -2.33 0.00 0.00 1.84 0.00 0.00 41.12 41.11 3gi8 n ASP 157 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gi8 n GLY 158 N -2.04 2.99 3.49 0.44 0.00 -1.26 -5.02 105.19 103.79 3gi8 n GLY 158 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3gi8 n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi8 s SER 159 N -1.34 3.72 0.06 1.61 1.04 -0.89 -5.05 113.70 112.85 3gi8 s SER 159 Ca 0.00 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 55.27 3gi8 s SER 159 Cb 0.00 -0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 3gi8 s SER 159 CO 0.00 0.07 0.86 -0.70 0.98 0.00 0.00 173.24 174.45 3gi8 s GLU 160 N -3.18 4.58 -0.10 4.02 2.12 -1.26 -0.10 118.70 124.78 3gi8 s GLU 160 Ca 0.27 1.25 -0.00 0.00 0.36 0.00 0.00 54.97 56.84 3gi8 s GLU 160 Cb -0.06 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 3gi8 s GLU 160 CO 0.14 0.21 -0.08 0.50 -0.54 0.00 0.00 175.26 175.48 3gi8 s ARG 161 N 0.13 3.11 -0.07 4.30 6.06 -0.74 -4.89 118.95 126.85 3gi8 s ARG 161 Ca 0.43 -0.59 0.02 0.00 -2.50 0.00 0.00 55.73 53.10 3gi8 s ARG 161 Cb -0.22 -2.66 -0.06 0.00 0.06 0.00 0.00 34.95 32.08 3gi8 s ARG 161 CO 0.26 0.45 -0.03 1.04 -2.50 0.00 0.00 175.30 174.51 3gi8 n GLN 162 N 2.87 1.28 -3.12 5.12 6.02 -1.26 -4.22 117.38 124.06 3gi8 n GLN 162 Ca -0.18 0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 3gi8 n GLN 162 Cb 0.53 -1.15 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 3gi8 n GLN 162 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3gi8 s ASN 163 N -4.33 6.68 0.00 1.08 2.20 -1.26 -3.93 114.94 115.38 3gi8 s ASN 163 Ca -0.07 1.16 0.00 0.00 -0.94 0.00 0.00 52.86 53.01 3gi8 s ASN 163 Cb 0.02 -2.33 0.00 0.00 -2.00 0.00 0.00 41.25 36.94 3gi8 s ASN 163 CO 0.19 -0.23 0.00 0.61 -2.94 0.00 0.00 177.10 174.73 3gi8 n GLY 164 N -0.57 0.72 3.63 0.45 0.00 -1.26 -4.84 105.19 103.32 3gi8 n GLY 164 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gi8 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gi8 s VAL 165 N -2.50 5.21 -0.09 1.61 1.01 -1.25 -1.26 120.40 123.14 3gi8 s VAL 165 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3gi8 s VAL 165 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3gi8 s VAL 165 CO 0.00 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.52 3gi8 s LEU 166 N 1.10 1.80 -0.10 3.92 1.43 -0.58 -4.98 118.68 121.27 3gi8 s LEU 166 Ca 0.07 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3gi8 s LEU 166 Cb -0.14 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3gi8 s LEU 166 CO 0.05 0.07 -0.11 0.20 0.23 0.00 0.00 176.35 176.79 3gi8 s ASN 167 N 0.65 4.28 -0.09 2.29 0.02 -1.26 -1.56 114.94 119.27 3gi8 s ASN 167 Ca -0.14 -0.19 -0.02 0.00 -1.02 0.00 0.00 52.86 51.49 3gi8 s ASN 167 Cb -0.16 -1.32 0.04 0.00 0.02 0.00 0.00 41.25 39.82 3gi8 s ASN 167 CO 0.04 0.26 0.03 -0.55 0.02 0.00 0.00 177.10 176.91 3gi8 s SER 168 N -0.22 1.75 0.02 -1.22 0.15 -0.78 -5.00 113.70 108.40 3gi8 s SER 168 Ca 0.02 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.32 3gi8 s SER 168 Cb -0.13 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.76 3gi8 s SER 168 CO 0.03 -0.24 0.42 0.26 1.20 0.00 0.00 173.24 174.90 3gi8 s TRP 169 N 2.03 3.71 0.76 3.44 0.51 -1.26 -1.64 118.94 126.48 3gi8 s TRP 169 Ca 0.04 0.98 -0.11 0.00 -2.12 0.00 0.00 56.10 54.88 3gi8 s TRP 169 Cb -0.13 -2.28 0.05 0.00 -0.81 0.00 0.00 33.47 30.30 3gi8 s TRP 169 CO -0.05 0.62 1.09 0.95 -0.51 0.00 0.00 176.95 179.04 3gi8 s THR 170 N -1.14 3.31 0.48 2.01 -4.23 0.56 -5.00 115.64 111.63 3gi8 s THR 170 Ca 0.26 0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.98 3gi8 s THR 170 Cb -0.16 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 3gi8 s THR 170 CO 0.14 -0.56 1.12 -1.81 -0.54 0.00 0.00 174.62 172.97 3gi8 s ASP 171 N -3.97 6.14 0.27 3.99 1.01 -1.26 -4.64 116.67 118.22 3gi8 s ASP 171 Ca 0.60 2.16 -0.30 0.00 0.71 0.00 0.00 52.55 55.72 3gi8 s ASP 171 Cb -0.14 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.08 3gi8 s ASP 171 CO 0.54 -0.93 1.37 1.67 0.21 0.00 0.00 175.17 178.03 3gi8 n GLN 172 N -0.77 2.05 -2.32 8.23 7.27 -1.26 -4.80 117.38 125.78 3gi8 n GLN 172 Ca 0.09 0.73 -0.41 0.00 0.07 0.00 0.00 57.00 57.47 3gi8 n GLN 172 Cb 0.50 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.76 3gi8 n GLN 172 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3gi8 s ASP 173 N 0.12 7.01 0.14 1.69 2.15 -0.54 -4.93 116.67 122.32 3gi8 s ASP 173 Ca 0.65 2.27 0.23 0.00 0.43 0.00 0.00 52.55 56.13 3gi8 s ASP 173 Cb -0.63 -2.60 0.90 0.00 -0.30 0.00 0.00 42.92 40.29 3gi8 s ASP 173 CO 0.53 -0.44 1.71 -1.54 -0.17 0.00 0.00 175.17 175.26 3gi8 n SER 174 N 2.74 0.44 -0.08 -0.34 3.41 -1.26 -1.98 113.62 116.55 3gi8 n SER 174 Ca 0.06 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.14 3gi8 n SER 174 Cb 0.44 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3gi8 n SER 174 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gi8 n LYS 175 N -1.95 0.49 0.00 4.33 4.76 -1.26 -3.00 118.16 121.53 3gi8 n LYS 175 Ca 0.04 0.20 0.11 0.00 -2.87 0.00 0.00 58.31 55.79 3gi8 n LYS 175 Cb 0.29 -1.36 0.06 0.00 -1.84 0.00 0.00 35.03 32.17 3gi8 n LYS 175 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gi8 n ASP 176 N -4.36 2.58 -1.71 4.39 3.85 -1.26 -4.92 116.55 115.13 3gi8 n ASP 176 Ca -0.17 -1.79 -0.16 0.00 -0.71 0.00 0.00 54.79 51.96 3gi8 n ASP 176 Cb 0.52 0.16 -0.02 0.00 -1.35 0.00 0.00 41.12 40.43 3gi8 n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3gi8 n SER 177 N 0.83 -4.80 -4.90 -1.12 7.64 -0.84 -5.00 113.62 105.43 3gi8 n SER 177 Ca 0.12 0.07 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 3gi8 n SER 177 Cb 0.53 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.82 3gi8 n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gi8 s THR 178 N -2.76 4.52 0.19 0.44 -4.23 -1.26 -4.75 115.64 107.79 3gi8 s THR 178 Ca 0.00 -1.21 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 3gi8 s THR 178 Cb 0.00 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 3gi8 s THR 178 CO 0.00 -0.29 0.10 -0.31 -0.54 0.00 0.00 174.62 173.58 3gi8 s TYR 179 N -2.12 3.04 0.06 3.99 2.02 0.40 -1.46 117.35 123.27 3gi8 s TYR 179 Ca 0.36 -0.08 0.04 0.00 -0.37 0.00 0.00 57.07 57.02 3gi8 s TYR 179 Cb -0.08 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 3gi8 s TYR 179 CO 0.27 0.53 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.55 3gi8 s SER 180 N -3.24 1.28 0.02 2.29 0.01 -1.26 -0.79 113.70 112.01 3gi8 s SER 180 Ca 0.30 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3gi8 s SER 180 Cb -0.09 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 3gi8 s SER 180 CO 0.22 -0.14 -0.03 -0.32 0.41 0.00 0.00 173.24 173.38 3gi8 s MET 181 N -1.65 0.33 -0.08 12.44 1.75 0.11 -0.32 119.30 131.87 3gi8 s MET 181 Ca -0.06 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 3gi8 s MET 181 Cb -0.10 0.05 -0.00 0.00 2.84 0.00 0.00 34.83 37.62 3gi8 s MET 181 CO 0.01 -0.04 -0.23 -1.54 -0.65 0.00 0.00 175.02 172.57 3gi8 s SER 182 N -1.41 2.95 -0.21 1.11 1.04 -0.65 -0.43 113.70 116.10 3gi8 s SER 182 Ca -0.15 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 3gi8 s SER 182 Cb -0.10 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 64.93 3gi8 s SER 182 CO -0.01 0.19 -0.09 -0.55 0.98 0.00 0.00 173.24 173.76 3gi8 s SER 183 N 0.14 3.93 -0.20 7.02 0.15 0.12 -1.86 113.70 123.00 3gi8 s SER 183 Ca -0.12 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 3gi8 s SER 183 Cb -0.16 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 3gi8 s SER 183 CO 0.06 -0.02 -0.12 -0.89 1.20 0.00 0.00 173.24 173.47 3gi8 s THR 184 N 1.41 2.73 -0.22 6.45 2.01 -0.60 -0.65 115.64 126.78 3gi8 s THR 184 Ca 0.05 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3gi8 s THR 184 Cb -0.14 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 3gi8 s THR 184 CO -0.06 0.48 0.17 -0.22 -0.69 0.00 0.00 174.62 174.30 3gi8 s LEU 185 N 1.35 4.15 -0.17 4.42 2.96 0.16 -1.52 118.68 130.03 3gi8 s LEU 185 Ca 0.05 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3gi8 s LEU 185 Cb -0.14 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 3gi8 s LEU 185 CO -0.07 0.10 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.05 3gi8 s THR 186 N 0.82 2.99 0.24 3.68 2.01 -0.38 0.29 115.64 125.27 3gi8 s THR 186 Ca 0.09 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3gi8 s THR 186 Cb -0.13 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 3gi8 s THR 186 CO 0.02 0.49 0.02 -0.76 -0.69 0.00 0.00 174.62 173.71 3gi8 s LEU 187 N 0.91 2.06 0.61 4.42 1.02 0.90 -4.72 118.68 123.89 3gi8 s LEU 187 Ca -0.03 -1.26 -0.14 0.00 0.02 0.00 0.00 54.13 52.72 3gi8 s LEU 187 Cb -0.15 -0.18 -0.03 0.00 0.02 0.00 0.00 46.19 45.85 3gi8 s LEU 187 CO -0.00 -0.57 1.05 0.42 0.02 0.00 0.00 176.35 177.26 3gi8 s THR 188 N -3.52 3.99 0.18 5.49 -4.23 -1.26 -1.45 115.64 114.85 3gi8 s THR 188 Ca 0.30 0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 61.51 3gi8 s THR 188 Cb 0.06 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.60 3gi8 s THR 188 CO 0.10 -0.65 1.67 0.50 -0.54 0.00 0.00 174.62 175.70 3gi8 h LYS 189 N 0.15 0.05 -0.38 3.99 3.64 -1.61 -0.52 116.57 121.89 3gi8 h LYS 189 Ca -0.46 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3gi8 h LYS 189 Cb 1.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3gi8 h LYS 189 CO 0.58 0.03 0.22 -0.44 -2.27 0.00 0.00 179.45 177.57 3gi8 h ASP 190 N 0.05 0.46 -0.67 4.20 3.45 -1.93 -0.09 116.42 121.88 3gi8 h ASP 190 Ca 0.24 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 3gi8 h ASP 190 Cb 0.37 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 3gi8 h ASP 190 CO -0.46 0.39 0.23 -0.08 -1.57 0.00 0.00 179.24 177.76 3gi8 h GLU 191 N 0.49 1.05 -0.64 3.56 4.81 -1.88 -2.41 114.58 119.56 3gi8 h GLU 191 Ca 0.13 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3gi8 h GLU 191 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3gi8 h GLU 191 CO -0.02 0.88 0.06 -0.92 -0.73 0.00 0.00 179.01 178.28 3gi8 h TYR 192 N 1.02 1.16 0.00 0.92 3.20 -0.68 -3.17 116.97 119.42 3gi8 h TYR 192 Ca 0.23 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3gi8 h TYR 192 Cb 0.26 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3gi8 h TYR 192 CO 0.02 0.99 -0.07 1.49 -1.64 0.00 0.00 178.16 178.95 3gi8 h GLU 193 N 1.00 0.00 0.00 1.82 4.57 -0.68 -3.02 114.58 118.27 3gi8 h GLU 193 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3gi8 h GLU 193 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3gi8 h GLU 193 CO 0.02 0.07 0.00 0.54 -1.18 0.00 0.00 179.01 178.46 3gi8 n ARG 194 N -3.14 0.22 -4.51 1.92 1.74 -0.94 -4.87 116.66 107.08 3gi8 n ARG 194 Ca 0.02 0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 57.18 3gi8 n ARG 194 Cb 0.46 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 3gi8 n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3gi8 s HIS 195 N -3.22 2.40 0.00 -1.55 3.76 -1.14 -5.10 115.29 110.44 3gi8 s HIS 195 Ca 0.07 -0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 3gi8 s HIS 195 Cb 0.11 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 3gi8 s HIS 195 CO 0.48 0.60 -0.11 -1.71 -0.85 0.00 0.00 174.74 173.14 3gi8 n ASN 196 N -0.78 1.31 -4.68 1.40 5.15 -1.26 -4.77 115.26 111.64 3gi8 n ASN 196 Ca -0.05 0.19 -0.39 0.00 -0.60 0.00 0.00 54.58 53.74 3gi8 n ASN 196 Cb 0.63 -0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 39.35 3gi8 n ASN 196 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gi8 s SER 197 N -5.88 6.57 -0.19 1.20 0.01 -1.26 -0.33 113.70 113.82 3gi8 s SER 197 Ca -0.09 0.68 0.01 0.00 1.31 0.00 0.00 55.95 57.86 3gi8 s SER 197 Cb 0.01 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.99 3gi8 s SER 197 CO 0.14 -0.12 -0.18 -0.31 0.41 0.00 0.00 173.24 173.18 3gi8 s TYR 198 N 1.35 2.77 -0.04 2.43 2.02 -0.63 -0.88 117.35 124.37 3gi8 s TYR 198 Ca 0.24 -1.69 0.05 0.00 -0.37 0.00 0.00 57.07 55.29 3gi8 s TYR 198 Cb -0.15 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3gi8 s TYR 198 CO 0.09 -0.80 -0.19 0.99 -1.57 0.00 0.00 175.55 174.08 3gi8 s THR 199 N 1.29 1.53 0.02 -0.71 2.01 -0.35 -2.42 115.64 117.00 3gi8 s THR 199 Ca 0.03 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.31 3gi8 s THR 199 Cb -0.14 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3gi8 s THR 199 CO -0.12 0.44 -0.17 0.00 -0.69 0.00 0.00 174.62 174.08 3gi8 s GLU 201 N -1.24 2.60 -0.32 0.00 2.02 0.16 -2.64 118.70 119.28 3gi8 s GLU 201 Ca 0.14 -0.71 -0.10 0.00 0.02 0.00 0.00 54.97 54.31 3gi8 s GLU 201 Cb -0.11 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 3gi8 s GLU 201 CO 0.04 0.05 0.17 0.00 0.02 0.00 0.00 175.26 175.54 3gi8 s ALA 202 N 0.67 3.30 -0.31 5.21 0.00 -0.26 -0.69 121.76 129.66 3gi8 s ALA 202 Ca -0.12 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 3gi8 s ALA 202 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 3gi8 s ALA 202 CO 0.03 -0.99 0.18 0.99 0.00 0.00 0.00 175.76 175.96 3gi8 s THR 203 N 1.61 4.86 0.03 0.00 2.01 0.86 -1.03 115.64 123.98 3gi8 s THR 203 Ca 0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3gi8 s THR 203 Cb -0.17 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 3gi8 s THR 203 CO 0.07 0.08 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.72 3gi8 s HIS 204 N 1.66 0.66 -0.95 4.92 2.46 -1.26 -1.07 115.29 121.70 3gi8 s HIS 204 Ca 0.05 -0.35 0.07 0.00 0.47 0.00 0.00 55.06 55.30 3gi8 s HIS 204 Cb -0.17 -0.40 0.31 0.00 -0.13 0.00 0.00 32.58 32.19 3gi8 s HIS 204 CO 0.08 -0.05 1.22 0.36 -2.47 0.00 0.00 174.74 173.88 3gi8 n LYS 205 N 1.99 0.01 0.00 2.88 2.85 -1.26 -1.35 118.16 123.28 3gi8 n LYS 205 Ca -0.19 0.41 0.09 0.00 -1.05 0.00 0.00 58.31 57.57 3gi8 n LYS 205 Cb 0.56 -1.53 0.45 0.00 -0.65 0.00 0.00 35.03 33.86 3gi8 n LYS 205 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3gi8 n THR 206 N -1.55 0.49 -3.68 0.58 5.66 -1.26 -4.73 114.28 109.79 3gi8 n THR 206 Ca 0.01 0.12 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 3gi8 n THR 206 Cb 0.07 -0.82 -0.08 0.00 -1.55 0.00 0.00 70.33 67.94 3gi8 n THR 206 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3gi8 s SER 207 N -2.61 -0.49 0.27 1.09 0.15 -0.46 -4.99 113.70 106.66 3gi8 s SER 207 Ca 0.16 0.79 0.11 0.00 0.70 0.00 0.00 55.95 57.71 3gi8 s SER 207 Cb 0.12 0.81 0.34 0.00 -1.71 0.00 0.00 66.02 65.58 3gi8 s SER 207 CO 0.28 -0.31 1.60 0.71 1.20 0.00 0.00 173.24 176.71 3gi8 h THR 208 N 3.99 1.42 -3.25 6.45 1.35 -1.85 -3.41 112.91 117.61 3gi8 h THR 208 Ca -0.28 -2.17 -0.64 0.00 -0.55 0.00 0.00 66.41 62.77 3gi8 h THR 208 Cb 1.17 2.18 -0.15 0.00 -1.73 0.00 0.00 68.15 69.61 3gi8 h THR 208 CO 0.26 0.61 -0.74 -0.94 -0.25 0.00 0.00 175.52 174.47 3gi8 s SER 209 N -6.81 4.25 0.47 5.36 1.04 -1.26 -5.07 113.70 111.67 3gi8 s SER 209 Ca -0.01 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 3gi8 s SER 209 Cb 0.12 -0.73 -0.08 0.00 0.10 0.00 0.00 66.02 65.44 3gi8 s SER 209 CO 0.76 0.13 1.10 -2.16 0.98 0.00 0.00 173.24 174.06 3gi8 s PRO 210 N -2.57 3.76 -0.10 4.02 0.04 -1.26 -4.89 135.00 134.00 3gi8 s PRO 210 Ca 0.23 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3gi8 s PRO 210 Cb -0.10 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3gi8 s PRO 210 CO 0.14 -0.50 1.21 0.42 0.04 0.00 0.00 177.00 178.31 3gi8 s ILE 211 N -1.72 4.29 -0.19 0.56 -1.09 -0.20 -4.82 121.20 118.04 3gi8 s ILE 211 Ca 0.65 1.59 -0.04 0.00 -2.23 0.00 0.00 60.65 60.63 3gi8 s ILE 211 Cb -0.23 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3gi8 s ILE 211 CO 0.28 -0.06 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.21 3gi8 s VAL 212 N 2.73 3.75 -0.00 2.92 1.01 -1.26 -1.11 120.40 128.45 3gi8 s VAL 212 Ca 0.55 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.21 3gi8 s VAL 212 Cb -0.23 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3gi8 s VAL 212 CO 0.18 0.45 -0.23 -0.54 0.00 0.00 0.00 175.10 174.96 3gi8 s LYS 213 N 0.85 1.82 0.14 2.72 -0.14 -1.08 -5.06 119.74 118.99 3gi8 s LYS 213 Ca -0.00 -0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 53.57 3gi8 s LYS 213 Cb -0.14 -1.81 0.03 0.00 -1.68 0.00 0.00 37.83 34.22 3gi8 s LYS 213 CO 0.02 0.49 0.39 0.45 -0.76 0.00 0.00 175.35 175.94 3gi8 s SER 214 N -0.74 -0.18 0.05 2.83 0.15 -1.26 -2.25 113.70 112.31 3gi8 s SER 214 Ca 0.09 -0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 3gi8 s SER 214 Cb -0.09 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 3gi8 s SER 214 CO -0.00 -0.89 0.35 0.72 1.20 0.00 0.00 173.24 174.62 3gi8 s PHE 215 N -3.84 -0.17 -0.10 3.44 -0.12 -1.01 -5.03 117.98 111.15 3gi8 s PHE 215 Ca 0.06 0.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 3gi8 s PHE 215 Cb 0.02 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 3gi8 s PHE 215 CO -0.09 -0.54 0.02 -0.80 -0.05 0.00 0.00 175.22 173.77 3gi8 s ASN 216 N -2.08 5.38 0.30 1.98 0.01 -1.26 -1.61 114.94 117.66 3gi8 s ASN 216 Ca -0.05 0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 3gi8 s ASN 216 Cb -0.01 -1.59 0.47 0.00 0.41 0.00 0.00 41.25 40.53 3gi8 s ASN 216 CO -0.03 0.36 1.75 -0.09 -1.51 0.00 0.00 177.10 177.58 3gi8 h ARG 217 N 5.33 0.44 -1.72 -0.60 2.43 -0.98 -3.19 114.38 116.09 3gi8 h ARG 217 Ca -0.49 -0.15 -0.49 0.00 -0.81 0.00 0.00 59.98 58.04 3gi8 h ARG 217 Cb 1.19 -0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 30.53 3gi8 h ARG 217 CO 0.56 0.65 0.52 -1.71 -1.51 0.00 0.00 179.97 178.48 3gi8 n ASN 218 N -4.14 6.72 0.00 -3.80 5.15 -1.26 -4.44 115.26 113.48 3gi8 n ASN 218 Ca -0.00 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 3gi8 n ASN 218 Cb 0.38 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 3gi8 n ASN 218 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gi8 n GLU 219 N 0.35 0.00 0.00 1.20 -0.58 -1.20 -5.20 120.64 115.20 3gi8 n GLU 219 Ca 0.45 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.29 3gi8 n GLU 219 Cb 0.54 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.50 3gi8 n GLU 219 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65