#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kth s PRO 4 N 0.00 2.98 -0.43 0.00 0.04 -1.26 -4.99 135.00 131.33 3kth s PRO 4 Ca 0.00 -0.64 0.05 0.00 0.04 0.00 0.00 61.00 60.45 3kth s PRO 4 Cb 0.00 -2.59 0.43 0.00 0.04 0.00 0.00 34.50 32.37 3kth s PRO 4 CO 0.00 -0.30 1.21 2.41 0.04 0.00 0.00 177.00 180.36 3kth n THR 5 N -2.05 2.51 -2.66 1.26 -1.04 -1.26 -1.68 114.28 109.36 3kth n THR 5 Ca 0.02 -4.69 -0.35 0.00 -2.04 0.00 0.00 64.05 57.00 3kth n THR 5 Cb 0.58 -1.23 -0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3kth n THR 5 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3kth n VAL 6 N -0.55 4.52 -1.79 12.58 3.14 -1.26 -4.82 118.33 130.15 3kth n VAL 6 Ca 0.42 -5.59 0.00 0.00 -2.96 0.00 0.00 64.34 56.20 3kth n VAL 6 Cb 0.71 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 3kth n VAL 6 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3kth n TYR 17 N -0.21 -4.88 -2.54 1.45 0.53 -1.26 -4.96 117.16 105.29 3kth n TYR 17 Ca 0.42 2.59 -0.41 0.00 -1.02 0.00 0.00 57.90 59.47 3kth n TYR 17 Cb 0.33 -3.78 -0.04 0.00 -1.03 0.00 0.00 39.34 34.83 3kth n TYR 17 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3kth s ASP 18 N -3.21 7.27 0.17 7.72 2.15 -1.26 -4.87 116.67 124.63 3kth s ASP 18 Ca 0.00 1.98 -0.24 0.00 0.43 0.00 0.00 52.55 54.72 3kth s ASP 18 Cb 0.00 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 3kth s ASP 18 CO 0.00 -0.26 1.58 -0.29 -0.17 0.00 0.00 175.17 176.03 3kth h ILE 19 N 4.06 0.13 -0.36 4.11 6.09 -1.68 0.52 117.51 130.38 3kth h ILE 19 Ca -0.43 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.10 3kth h ILE 19 Cb 1.21 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 3kth h ILE 19 CO 0.75 0.00 0.24 1.88 -3.07 0.00 0.00 178.15 177.95 3kth h TYR 20 N -0.23 0.32 -0.20 2.19 0.05 -1.93 -1.60 116.97 115.56 3kth h TYR 20 Ca 0.19 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.88 3kth h TYR 20 Cb 0.56 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3kth h TYR 20 CO -0.66 0.18 -0.26 0.77 -1.05 0.00 0.00 178.16 177.15 3kth h SER 21 N 0.33 0.58 -0.56 3.88 0.02 -0.55 -2.21 113.55 115.04 3kth h SER 21 Ca 0.15 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3kth h SER 21 Cb 0.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3kth h SER 21 CO -0.03 0.97 0.30 -0.09 -1.14 0.00 0.00 176.83 176.83 3kth h ARG 22 N 0.21 0.81 0.00 3.45 9.65 0.27 -1.02 114.38 127.74 3kth h ARG 22 Ca 0.03 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 3kth h ARG 22 Cb 0.82 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 3kth h ARG 22 CO 0.06 0.61 -0.38 1.25 2.80 0.00 0.00 179.97 184.31 3kth h LEU 23 N 0.81 0.00 -1.20 3.80 5.85 -1.23 -1.72 115.31 121.63 3kth h LEU 23 Ca 0.21 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3kth h LEU 23 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3kth h LEU 23 CO -0.03 0.38 -0.30 0.25 -0.34 0.00 0.00 178.44 178.39 3kth h LEU 24 N 0.00 0.00 -1.56 2.25 5.85 -0.55 -2.51 115.31 118.79 3kth h LEU 24 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3kth h LEU 24 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3kth h LEU 24 CO 0.05 0.30 -0.01 0.50 -0.34 0.00 0.00 178.44 178.94 3kth h LYS 25 N 0.00 0.26 -0.72 1.25 3.64 -0.83 0.28 116.57 120.44 3kth h LYS 25 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3kth h LYS 25 Cb 0.73 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3kth h LYS 25 CO 0.04 0.30 0.02 -0.25 -2.27 0.00 0.00 179.45 177.29 3kth n ASP 26 N -4.37 4.26 -3.22 4.20 10.43 -0.99 -4.91 116.55 121.95 3kth n ASP 26 Ca -0.00 -2.66 -0.16 0.00 2.57 0.00 0.00 54.79 54.54 3kth n ASP 26 Cb 0.19 -0.63 0.08 0.00 1.84 0.00 0.00 41.12 42.59 3kth n ASP 26 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3kth n ARG 27 N 0.39 -5.97 -4.36 -1.24 1.74 0.09 -4.93 116.66 102.38 3kth n ARG 27 Ca 0.20 0.78 -0.27 0.00 -0.77 0.00 0.00 57.85 57.79 3kth n ARG 27 Cb 0.92 -5.59 -0.17 0.00 -1.02 0.00 0.00 32.46 26.61 3kth n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kth s ILE 28 N -3.33 1.28 -0.14 0.55 1.01 -0.98 -2.09 121.20 117.49 3kth s ILE 28 Ca 0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3kth s ILE 28 Cb -0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3kth s ILE 28 CO 0.67 0.40 -0.04 -0.63 0.00 0.00 0.00 174.94 175.34 3kth s ILE 29 N 1.06 3.89 -0.28 2.92 1.01 0.25 -3.49 121.20 126.55 3kth s ILE 29 Ca -0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3kth s ILE 29 Cb -0.15 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3kth s ILE 29 CO -0.02 0.51 0.09 -0.04 0.00 0.00 0.00 174.94 175.48 3kth s MET 30 N 0.14 3.27 -0.41 2.79 -1.94 -1.26 -1.36 119.30 120.53 3kth s MET 30 Ca -0.01 -0.74 -0.06 0.00 -1.71 0.00 0.00 55.69 53.17 3kth s MET 30 Cb -0.14 -3.38 0.09 0.00 2.01 0.00 0.00 34.83 33.41 3kth s MET 30 CO 0.03 -0.37 0.22 -1.17 -0.01 0.00 0.00 175.02 173.71 3kth s LEU 31 N 1.54 5.10 -0.38 -0.03 2.96 -0.76 -4.95 118.68 122.16 3kth s LEU 31 Ca 0.04 -1.72 0.12 0.00 -0.22 0.00 0.00 54.13 52.35 3kth s LEU 31 Cb -0.17 -1.90 0.43 0.00 0.50 0.00 0.00 46.19 45.05 3kth s LEU 31 CO 0.03 -0.53 0.98 0.61 -1.32 0.00 0.00 176.35 176.13 3kth n GLY 32 N 4.76 3.54 3.83 7.98 0.00 -1.26 -1.28 105.19 122.76 3kth n GLY 32 Ca -0.07 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 3kth n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kth s SER 33 N -3.22 -0.04 0.93 1.61 1.04 -1.22 -4.94 113.70 107.85 3kth s SER 33 Ca 0.37 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 3kth s SER 33 Cb 0.42 0.66 0.15 0.00 0.10 0.00 0.00 66.02 67.34 3kth s SER 33 CO -0.06 -1.29 1.10 0.00 0.98 0.00 0.00 173.24 173.97 3kth s ALA 34 N -2.52 1.30 -0.33 5.32 0.00 -1.26 -4.44 121.76 119.82 3kth s ALA 34 Ca 0.17 0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 3kth s ALA 34 Cb -0.04 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3kth s ALA 34 CO 0.07 -2.65 0.15 0.42 0.00 0.00 0.00 175.76 173.75 3kth s ILE 35 N -2.75 4.32 0.24 0.00 1.01 0.38 -4.86 121.20 119.54 3kth s ILE 35 Ca 0.65 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3kth s ILE 35 Cb -0.21 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3kth s ILE 35 CO 0.58 -0.07 0.07 1.51 0.00 0.00 0.00 174.94 177.03 3kth s ASP 36 N 1.54 1.30 0.33 3.58 3.84 -1.26 -0.15 116.67 125.84 3kth s ASP 36 Ca 0.02 -1.32 0.15 0.00 -0.00 0.00 0.00 52.55 51.40 3kth s ASP 36 Cb -0.18 0.13 1.10 0.00 -1.38 0.00 0.00 42.92 42.59 3kth s ASP 36 CO 0.05 -0.67 1.44 0.47 -0.00 0.00 0.00 175.17 176.46 3kth n ASP 37 N -0.42 0.22 0.14 2.11 10.43 -1.26 -0.88 116.55 126.88 3kth n ASP 37 Ca -0.02 1.53 -0.13 0.00 2.57 0.00 0.00 54.79 58.74 3kth n ASP 37 Cb 0.65 -0.70 -0.08 0.00 1.84 0.00 0.00 41.12 42.84 3kth n ASP 37 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3kth h ASN 38 N 0.00 -0.32 -0.62 -2.24 -0.73 -1.99 -1.29 115.58 108.39 3kth h ASN 38 Ca 0.72 -0.21 0.06 0.00 1.87 0.00 0.00 56.30 58.74 3kth h ASN 38 Cb 1.83 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 40.45 3kth h ASN 38 CO -0.74 0.09 0.33 0.58 -0.37 0.00 0.00 177.43 177.32 3kth h VAL 39 N -0.79 0.95 -0.42 2.57 2.07 -1.40 -1.18 116.25 118.05 3kth h VAL 39 Ca -0.04 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3kth h VAL 39 Cb 0.51 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3kth h VAL 39 CO 0.06 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.96 3kth h ALA 40 N 1.33 0.51 -0.70 1.67 0.00 -1.02 -0.73 119.26 120.32 3kth h ALA 40 Ca 0.28 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3kth h ALA 40 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kth h ALA 40 CO -0.18 -0.18 0.47 -0.97 0.00 0.00 0.00 179.25 178.38 3kth h ASN 41 N 0.38 0.77 0.29 0.00 -0.00 -0.30 0.28 115.58 117.01 3kth h ASN 41 Ca 0.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.45 3kth h ASN 41 Cb 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 3kth h ASN 41 CO -0.15 0.55 -0.14 -1.28 -0.00 0.00 0.00 177.43 176.41 3kth h SER 42 N 0.91 -0.33 -0.88 1.15 0.87 -0.28 -2.45 113.55 112.54 3kth h SER 42 Ca 0.27 -0.21 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3kth h SER 42 Cb -0.04 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.94 3kth h SER 42 CO -0.07 0.12 0.55 0.40 -0.53 0.00 0.00 176.83 177.30 3kth h ILE 43 N -0.88 1.03 -0.47 2.23 2.04 -1.00 0.36 117.51 120.82 3kth h ILE 43 Ca -0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3kth h ILE 43 Cb 0.51 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kth h ILE 43 CO 0.07 0.18 0.30 0.58 0.00 0.00 0.00 178.15 179.27 3kth h VAL 44 N 0.98 1.13 -0.99 1.67 2.07 -1.00 0.56 116.25 120.68 3kth h VAL 44 Ca 0.39 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3kth h VAL 44 Cb 0.20 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3kth h VAL 44 CO -0.18 0.13 0.66 0.28 0.02 0.00 0.00 177.57 178.48 3kth h SER 45 N 0.63 1.13 -0.43 0.57 0.02 -0.76 0.14 113.55 114.86 3kth h SER 45 Ca 0.17 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3kth h SER 45 Cb -0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3kth h SER 45 CO -0.03 0.81 0.05 1.56 -1.14 0.00 0.00 176.83 178.08 3kth h GLN 46 N 1.33 0.73 0.27 3.45 4.20 -0.10 -0.93 115.11 124.06 3kth h GLN 46 Ca 0.37 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3kth h GLN 46 Cb -0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3kth h GLN 46 CO -0.09 0.77 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.65 3kth h LEU 47 N 0.58 -0.30 -0.75 1.46 3.38 -0.20 -0.67 115.31 118.81 3kth h LEU 47 Ca 0.13 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3kth h LEU 47 Cb 0.41 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 3kth h LEU 47 CO 0.01 -0.21 0.36 -0.07 0.09 0.00 0.00 178.44 178.63 3kth h LEU 48 N -0.36 0.45 -0.05 1.67 3.38 -0.62 -0.98 115.31 118.79 3kth h LEU 48 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kth h LEU 48 Cb 0.28 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kth h LEU 48 CO 0.06 0.23 0.03 0.15 0.09 0.00 0.00 178.44 179.00 3kth h PHE 49 N 0.58 0.07 -0.83 1.13 3.57 -0.80 -2.40 116.94 118.26 3kth h PHE 49 Ca 0.39 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.92 3kth h PHE 49 Cb 0.48 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3kth h PHE 49 CO -0.12 0.09 0.55 -0.07 -2.23 0.00 0.00 178.31 176.54 3kth h LEU 50 N 0.02 0.90 -1.68 0.59 3.38 -0.46 -1.21 115.31 116.85 3kth h LEU 50 Ca 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kth h LEU 50 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kth h LEU 50 CO -0.00 0.63 -0.18 0.00 0.09 0.00 0.00 178.44 178.97 3kth h ALA 51 N 1.51 1.32 0.00 1.53 0.00 -0.84 -2.44 119.26 120.34 3kth h ALA 51 Ca 0.32 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3kth h ALA 51 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kth h ALA 51 CO -0.09 0.23 -1.06 0.00 0.00 0.00 0.00 179.25 178.32 3kth h ALA 52 N 1.82 0.42 -0.13 0.00 0.00 -0.75 -2.88 119.26 117.73 3kth h ALA 52 Ca -0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 54.91 53.77 3kth h ALA 52 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kth h ALA 52 CO 0.02 1.26 -0.69 0.93 0.00 0.00 0.00 179.25 180.77 3kth h GLU 53 N 0.00 0.55 -0.60 0.00 4.39 -0.95 -3.43 114.58 114.55 3kth h GLU 53 Ca -0.04 -0.42 0.06 0.00 0.34 0.00 0.00 59.36 59.30 3kth h GLU 53 Cb 1.78 0.08 -0.19 0.00 -0.10 0.00 0.00 28.75 30.32 3kth h GLU 53 CO 0.12 1.04 -0.25 0.34 -1.16 0.00 0.00 179.01 179.10 3kth s ASP 54 N -6.99 -0.94 0.00 1.42 -1.08 -1.06 -5.01 116.67 103.01 3kth s ASP 54 Ca -0.07 -0.31 0.10 0.00 -0.52 0.00 0.00 52.55 51.75 3kth s ASP 54 Cb 0.10 1.30 0.60 0.00 -1.46 0.00 0.00 42.92 43.47 3kth s ASP 54 CO 0.86 -0.12 1.02 -0.81 0.52 0.00 0.00 175.17 176.64 3kth n PRO 55 N 4.39 0.39 -0.10 4.34 -0.04 -1.09 -2.95 135.00 139.93 3kth n PRO 55 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 3kth n PRO 55 Cb 0.59 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 3kth n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kth n GLU 56 N -0.91 0.62 -2.10 0.54 -0.58 -1.26 -3.14 120.64 113.81 3kth n GLU 56 Ca 0.08 0.34 -0.38 0.00 -0.42 0.00 0.00 57.16 56.78 3kth n GLU 56 Cb 0.03 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.30 3kth n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kth s LYS 57 N -2.47 3.61 0.82 3.49 1.02 -1.15 -4.79 119.74 120.27 3kth s LYS 57 Ca -0.33 1.95 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 3kth s LYS 57 Cb 0.10 -2.41 0.08 0.00 -0.52 0.00 0.00 37.83 35.08 3kth s LYS 57 CO 0.58 -0.72 1.10 -2.00 -0.92 0.00 0.00 175.35 173.39 3kth s GLU 58 N -2.70 1.88 -0.01 1.68 2.12 -1.26 -4.50 118.70 115.92 3kth s GLU 58 Ca 0.65 1.20 0.04 0.00 0.36 0.00 0.00 54.97 57.22 3kth s GLU 58 Cb -0.33 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 3kth s GLU 58 CO 0.40 -1.92 -0.12 0.42 -0.54 0.00 0.00 175.26 173.51 3kth s ILE 59 N -2.85 0.92 -0.16 -3.70 1.01 -0.63 -4.94 121.20 110.85 3kth s ILE 59 Ca 0.62 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 3kth s ILE 59 Cb -0.18 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 3kth s ILE 59 CO 0.57 0.26 -0.12 -0.44 0.00 0.00 0.00 174.94 175.21 3kth s SER 60 N -0.28 4.00 -0.48 3.58 0.01 -0.89 0.67 113.70 120.30 3kth s SER 60 Ca 0.04 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 3kth s SER 60 Cb -0.04 -1.63 0.13 0.00 0.21 0.00 0.00 66.02 64.68 3kth s SER 60 CO -0.00 0.11 0.27 -0.22 0.41 0.00 0.00 173.24 173.80 3kth s LEU 61 N 0.71 5.10 0.33 2.44 2.96 0.16 -0.58 118.68 129.79 3kth s LEU 61 Ca -0.05 -2.42 -0.28 0.00 -0.22 0.00 0.00 54.13 51.15 3kth s LEU 61 Cb -0.15 -1.80 -0.10 0.00 0.50 0.00 0.00 46.19 44.64 3kth s LEU 61 CO 0.02 -0.44 1.22 -0.31 -1.32 0.00 0.00 176.35 175.52 3kth s TYR 62 N 0.57 3.22 -0.09 5.38 1.51 -0.46 -2.45 117.35 125.03 3kth s TYR 62 Ca 0.12 1.53 -0.00 0.00 -1.01 0.00 0.00 57.07 57.71 3kth s TYR 62 Cb -0.22 -3.51 0.02 0.00 -0.11 0.00 0.00 41.96 38.14 3kth s TYR 62 CO -0.04 -1.36 -0.05 0.42 -1.11 0.00 0.00 175.55 173.41 3kth s ILE 63 N -1.19 0.73 -0.43 2.71 1.01 -0.14 -1.82 121.20 122.08 3kth s ILE 63 Ca 0.49 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.05 3kth s ILE 63 Cb -0.36 -0.80 0.17 0.00 0.01 0.00 0.00 42.46 41.49 3kth s ILE 63 CO 0.47 0.31 0.42 0.21 0.00 0.00 0.00 174.94 176.35 3kth s ASN 64 N 1.64 0.86 0.02 3.58 2.47 -0.41 -1.11 114.94 121.99 3kth s ASN 64 Ca 0.02 -2.71 0.01 0.00 0.42 0.00 0.00 52.86 50.60 3kth s ASN 64 Cb -0.13 0.08 -0.01 0.00 -1.45 0.00 0.00 41.25 39.74 3kth s ASN 64 CO -0.05 -0.15 -0.05 -0.55 -3.72 0.00 0.00 177.10 172.57 3kth s SER 65 N 0.31 0.54 0.00 -4.21 0.15 0.93 -3.46 113.70 107.96 3kth s SER 65 Ca 0.31 -0.31 0.31 0.00 0.70 0.00 0.00 55.95 56.96 3kth s SER 65 Cb 0.01 0.01 1.67 0.00 -1.71 0.00 0.00 66.02 66.01 3kth s SER 65 CO -0.16 -0.11 2.12 -0.81 1.20 0.00 0.00 173.24 175.49 3kth n PRO 66 N 2.20 0.65 0.00 5.44 -0.04 -1.26 -1.79 135.00 140.19 3kth n PRO 66 Ca -0.18 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3kth n PRO 66 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3kth n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kth n GLY 67 N 1.18 -0.30 0.00 0.55 0.00 -1.17 -4.44 105.19 101.01 3kth n GLY 67 Ca 0.18 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3kth n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kth n GLY 68 N 0.00 -0.64 3.73 -0.02 0.00 -1.26 -0.47 105.19 106.53 3kth n GLY 68 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3kth n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kth s SER 69 N -4.00 7.16 0.16 1.61 0.15 0.78 -4.77 113.70 114.80 3kth s SER 69 Ca 0.00 2.13 -0.16 0.00 0.70 0.00 0.00 55.95 58.63 3kth s SER 69 Cb 0.00 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.80 3kth s SER 69 CO 0.00 -0.32 1.74 0.40 1.20 0.00 0.00 173.24 176.26 3kth h ILE 70 N 3.87 0.84 -0.19 6.45 5.03 -1.96 -0.87 117.51 130.68 3kth h ILE 70 Ca -0.44 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.19 3kth h ILE 70 Cb 1.21 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.57 3kth h ILE 70 CO 0.75 0.04 0.03 0.71 -0.68 0.00 0.00 178.15 179.00 3kth h THR 71 N 0.24 1.22 -0.94 -0.27 1.35 -1.98 -1.65 112.91 110.89 3kth h THR 71 Ca 0.18 -0.73 0.12 0.00 -0.55 0.00 0.00 66.41 65.43 3kth h THR 71 Cb 0.19 1.34 -0.08 0.00 -1.73 0.00 0.00 68.15 67.87 3kth h THR 71 CO -0.21 0.22 0.60 0.00 -0.25 0.00 0.00 175.52 175.88 3kth h ALA 72 N 0.83 1.66 0.49 6.62 0.00 -1.85 -0.71 119.26 126.29 3kth h ALA 72 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kth h ALA 72 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kth h ALA 72 CO 0.00 0.11 -0.23 0.78 0.00 0.00 0.00 179.25 179.91 3kth h GLY 73 N 0.86 -0.68 0.45 0.00 0.00 -0.79 -2.94 103.07 99.97 3kth h GLY 73 Ca 0.46 0.25 0.18 0.00 0.00 0.00 0.00 47.33 48.23 3kth h GLY 73 CO -0.23 -0.25 0.56 -0.33 0.00 0.00 0.00 176.54 176.30 3kth h MET 74 N -0.88 0.43 0.02 4.80 2.86 -0.73 0.22 114.93 121.65 3kth h MET 74 Ca -0.07 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3kth h MET 74 Cb 0.59 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3kth h MET 74 CO 0.11 0.29 -0.11 0.00 1.06 0.00 0.00 176.91 178.25 3kth h ALA 75 N 1.62 -0.15 0.34 6.32 0.00 -1.02 0.26 119.26 126.63 3kth h ALA 75 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3kth h ALA 75 Cb 1.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kth h ALA 75 CO -0.16 -0.61 -0.24 0.82 0.00 0.00 0.00 179.25 179.05 3kth h ILE 76 N -0.21 0.49 -0.11 0.00 1.08 -0.51 -1.52 117.51 116.73 3kth h ILE 76 Ca 0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3kth h ILE 76 Cb 0.25 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3kth h ILE 76 CO -0.10 0.00 -0.13 0.22 -0.69 0.00 0.00 178.15 177.45 3kth h TYR 77 N -0.57 -0.39 -0.86 1.37 3.20 -0.44 0.52 116.97 119.79 3kth h TYR 77 Ca -0.03 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.04 3kth h TYR 77 Cb 0.49 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 38.84 3kth h TYR 77 CO -0.12 -0.11 0.40 -0.44 -1.64 0.00 0.00 178.16 176.26 3kth h ASP 78 N -0.08 0.41 -0.92 -2.11 3.45 -0.50 0.99 116.42 117.66 3kth h ASP 78 Ca 0.02 0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.64 3kth h ASP 78 Cb 0.13 0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 38.92 3kth h ASP 78 CO -0.15 0.10 0.60 0.74 -1.57 0.00 0.00 179.24 178.97 3kth h THR 79 N 0.50 1.15 -0.33 0.35 2.02 -0.19 0.32 112.91 116.74 3kth h THR 79 Ca 0.50 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3kth h THR 79 Cb 0.84 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3kth h THR 79 CO -0.44 0.21 0.19 0.24 0.37 0.00 0.00 175.52 176.08 3kth h MET 80 N 1.16 0.45 -0.01 6.66 2.86 0.14 -2.17 114.93 124.02 3kth h MET 80 Ca 0.37 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.83 3kth h MET 80 Cb 0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3kth h MET 80 CO -0.12 0.37 -0.60 1.96 1.06 0.00 0.00 176.91 179.57 3kth h GLN 81 N 0.41 0.02 0.04 1.72 1.08 -0.92 -3.31 115.11 114.16 3kth h GLN 81 Ca 0.12 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3kth h GLN 81 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3kth h GLN 81 CO -0.02 0.62 -0.02 0.35 -0.95 0.00 0.00 178.83 178.81 3kth h PHE 82 N 0.01 -0.05 -4.17 2.96 3.57 -0.05 -3.45 116.94 115.75 3kth h PHE 82 Ca -0.01 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.96 3kth h PHE 82 Cb 1.07 0.02 0.15 0.00 2.79 0.00 0.00 35.95 39.97 3kth h PHE 82 CO 0.00 0.34 0.40 0.96 -2.23 0.00 0.00 178.31 177.77 3kth s ILE 83 N -4.59 2.47 0.03 1.41 -4.36 -0.84 -4.97 121.20 110.35 3kth s ILE 83 Ca -0.15 0.23 -0.25 0.00 -0.26 0.00 0.00 60.65 60.23 3kth s ILE 83 Cb 0.02 -2.81 -0.18 0.00 1.25 0.00 0.00 42.46 40.75 3kth s ILE 83 CO 0.65 -0.12 1.49 0.50 0.24 0.00 0.00 174.94 177.70 3kth h LYS 84 N -0.17 -0.04 -6.77 0.37 1.63 -1.88 -3.45 116.57 106.26 3kth h LYS 84 Ca -0.48 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.77 3kth h LYS 84 Cb 1.29 0.01 0.19 0.00 -0.60 0.00 0.00 32.23 33.11 3kth h LYS 84 CO 0.51 0.21 -0.22 -2.30 -3.45 0.00 0.00 179.45 174.20 3kth n PRO 85 N -4.99 0.33 -3.36 1.90 -0.02 -1.19 -4.95 135.00 122.72 3kth n PRO 85 Ca -0.08 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.18 3kth n PRO 85 Cb 0.15 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3kth n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kth s LYS 86 N -3.03 4.21 -0.30 -0.52 1.02 -1.26 -4.95 119.74 114.91 3kth s LYS 86 Ca 0.68 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 56.79 3kth s LYS 86 Cb -0.34 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3kth s LYS 86 CO 0.56 -0.00 0.39 0.08 -0.92 0.00 0.00 175.35 175.46 3kth s VAL 87 N 1.18 5.15 -0.07 3.17 1.01 -1.26 -1.61 120.40 127.98 3kth s VAL 87 Ca 0.21 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 3kth s VAL 87 Cb -0.15 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3kth s VAL 87 CO 0.08 0.03 0.42 -0.55 0.00 0.00 0.00 175.10 175.09 3kth s SER 88 N 1.68 6.72 -0.02 3.32 0.15 0.21 -0.30 113.70 125.47 3kth s SER 88 Ca 0.15 0.85 0.04 0.00 0.70 0.00 0.00 55.95 57.69 3kth s SER 88 Cb -0.16 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3kth s SER 88 CO 0.11 0.17 -0.12 0.42 1.20 0.00 0.00 173.24 175.02 3kth s THR 89 N -0.21 3.25 -0.22 6.45 -4.23 -1.06 0.39 115.64 120.01 3kth s THR 89 Ca 0.24 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3kth s THR 89 Cb -0.16 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 71.41 3kth s THR 89 CO 0.11 0.49 0.02 -0.63 -0.54 0.00 0.00 174.62 174.07 3kth s ILE 90 N -0.85 0.84 -0.36 2.99 1.09 -1.02 -0.07 121.20 123.81 3kth s ILE 90 Ca 0.14 -0.86 -0.29 0.00 -1.10 0.00 0.00 60.65 58.54 3kth s ILE 90 Cb -0.11 -1.33 0.01 0.00 -1.06 0.00 0.00 42.46 39.97 3kth s ILE 90 CO 0.03 -0.25 1.36 0.00 -0.10 0.00 0.00 174.94 175.98 3kth s ILE 92 N 4.93 2.83 0.00 0.00 2.07 -0.27 -2.66 121.20 128.09 3kth s ILE 92 Ca 0.59 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 3kth s ILE 92 Cb -0.15 -2.37 0.00 0.00 0.13 0.00 0.00 42.46 40.07 3kth s ILE 92 CO 0.28 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 174.22 3kth n GLY 93 N 4.68 2.05 3.50 1.50 0.00 -1.26 -4.06 105.19 111.60 3kth n GLY 93 Ca -0.17 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3kth n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kth s MET 94 N 0.00 0.66 -0.21 1.61 -2.45 -1.26 -1.94 119.30 115.70 3kth s MET 94 Ca 0.00 0.91 -0.03 0.00 -1.25 0.00 0.00 55.69 55.32 3kth s MET 94 Cb 0.00 0.25 0.07 0.00 1.25 0.00 0.00 34.83 36.40 3kth s MET 94 CO 0.00 -0.11 0.06 0.00 1.05 0.00 0.00 175.02 176.02 3kth s ALA 95 N 0.73 0.94 0.30 4.11 0.00 -0.66 -0.05 121.76 127.14 3kth s ALA 95 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3kth s ALA 95 Cb -0.05 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 3kth s ALA 95 CO -0.05 -1.28 -0.04 0.00 0.00 0.00 0.00 175.76 174.39 3kth s ALA 96 N 1.90 2.47 0.00 0.00 0.00 -0.74 -1.92 121.76 123.47 3kth s ALA 96 Ca 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.00 3kth s ALA 96 Cb -0.17 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kth s ALA 96 CO -0.13 -0.10 0.00 0.45 0.00 0.00 0.00 175.76 175.99 3kth n SER 97 N -0.65 0.00 -0.29 0.00 2.88 -0.86 0.70 113.62 115.40 3kth n SER 97 Ca -0.05 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.73 3kth n SER 97 Cb 0.64 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.66 3kth n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3kth h MET 98 N 0.00 0.31 -0.13 -1.46 2.07 -1.89 0.06 114.93 113.89 3kth h MET 98 Ca 0.00 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.66 3kth h MET 98 Cb 0.00 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 29.61 3kth h MET 98 CO 0.00 0.20 -0.20 0.78 1.07 0.00 0.00 176.91 178.76 3kth h GLY 99 N 0.32 -0.17 0.70 8.32 0.00 0.00 0.45 103.07 112.70 3kth h GLY 99 Ca 0.55 0.25 0.04 0.00 0.00 0.00 0.00 47.33 48.16 3kth h GLY 99 CO -0.21 -0.18 0.12 0.00 0.00 0.00 0.00 176.54 176.27 3kth h ALA 100 N 0.75 0.40 -0.28 3.60 0.00 -0.75 -1.47 119.26 121.52 3kth h ALA 100 Ca 0.10 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3kth h ALA 100 Cb 0.40 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3kth h ALA 100 CO -0.28 -0.27 -0.33 0.35 0.00 0.00 0.00 179.25 178.72 3kth h PHE 101 N 0.27 -0.92 -1.00 0.00 3.57 -0.38 -0.21 116.94 118.27 3kth h PHE 101 Ca 0.16 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3kth h PHE 101 Cb 0.13 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 3kth h PHE 101 CO -0.14 -0.39 0.65 -0.07 -2.23 0.00 0.00 178.31 176.12 3kth h LEU 102 N -0.32 1.04 -0.84 0.59 3.38 0.27 -0.97 115.31 118.45 3kth h LEU 102 Ca 0.13 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3kth h LEU 102 Cb 0.54 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3kth h LEU 102 CO -0.46 0.67 0.50 0.25 0.09 0.00 0.00 178.44 179.50 3kth h LEU 103 N 1.19 0.77 -1.02 1.67 5.85 -0.01 -0.76 115.31 123.00 3kth h LEU 103 Ca 0.43 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3kth h LEU 103 Cb 0.14 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3kth h LEU 103 CO -0.17 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.41 3kth h ALA 104 N 1.42 1.00 0.00 1.25 0.00 -0.25 -2.92 119.26 119.76 3kth h ALA 104 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kth h ALA 104 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kth h ALA 104 CO -0.20 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3kth n ALA 105 N -2.03 2.25 -1.58 0.00 0.00 -0.30 -4.87 120.51 113.99 3kth n ALA 105 Ca 0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3kth n ALA 105 Cb 0.34 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.39 3kth n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kth n GLY 106 N 1.23 -0.02 3.63 0.00 0.00 -1.10 -4.77 105.19 104.15 3kth n GLY 106 Ca 0.05 -0.21 -0.60 0.00 0.00 0.00 0.00 46.02 45.27 3kth n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kth n GLU 107 N -1.66 0.71 -1.64 1.61 4.07 0.59 -4.76 120.64 119.56 3kth n GLU 107 Ca 0.15 0.25 -0.54 0.00 -0.06 0.00 0.00 57.16 56.95 3kth n GLU 107 Cb 0.48 -1.92 -0.06 0.00 -0.06 0.00 0.00 31.44 29.88 3kth n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kth n LYS 108 N 5.70 1.20 0.00 5.31 3.00 -1.26 -0.31 118.16 131.80 3kth n LYS 108 Ca 0.33 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 3kth n LYS 108 Cb 0.07 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 33.00 3kth n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kth n GLY 109 N 3.17 2.18 1.42 3.14 0.00 -1.26 -4.90 105.19 108.95 3kth n GLY 109 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 3kth n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kth n LYS 110 N -1.53 1.50 -3.50 1.61 5.02 0.58 -4.92 118.16 116.93 3kth n LYS 110 Ca 0.00 -3.11 -0.42 0.00 -2.02 0.00 0.00 58.31 52.76 3kth n LYS 110 Cb 0.00 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 3kth n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kth s ARG 111 N -2.43 2.70 0.50 1.97 0.52 -1.25 -2.55 118.95 118.41 3kth s ARG 111 Ca 0.38 -1.89 0.08 0.00 -0.52 0.00 0.00 55.73 53.78 3kth s ARG 111 Cb 0.38 -4.04 0.04 0.00 0.52 0.00 0.00 34.95 31.85 3kth s ARG 111 CO -0.08 -1.23 0.61 0.71 0.02 0.00 0.00 175.30 175.33 3kth s TYR 112 N 1.18 2.06 -0.18 -0.53 1.51 0.90 0.21 117.35 122.49 3kth s TYR 112 Ca 0.07 -0.61 -0.27 0.00 -1.01 0.00 0.00 57.07 55.25 3kth s TYR 112 Cb -0.25 -2.21 0.07 0.00 -0.11 0.00 0.00 41.96 39.46 3kth s TYR 112 CO -0.01 -0.68 0.70 0.00 -1.11 0.00 0.00 175.55 174.45 3kth s ALA 113 N -2.56 -1.76 0.57 3.71 0.00 -1.10 -1.40 121.76 119.22 3kth s ALA 113 Ca 0.54 1.74 -0.09 0.00 0.00 0.00 0.00 51.96 54.15 3kth s ALA 113 Cb -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3kth s ALA 113 CO 0.33 -0.35 0.93 -0.51 0.00 0.00 0.00 175.76 176.17 3kth s LEU 114 N -0.23 3.36 0.12 0.00 1.43 -1.09 -1.75 118.68 120.53 3kth s LEU 114 Ca -0.04 1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 54.01 3kth s LEU 114 Cb -0.03 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 3kth s LEU 114 CO 0.04 -0.80 1.14 -2.65 0.23 0.00 0.00 176.35 174.32 3kth n PRO 115 N -2.57 -0.32 -0.72 1.29 -0.02 -1.25 -1.01 135.00 130.41 3kth n PRO 115 Ca 0.04 1.12 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 3kth n PRO 115 Cb 0.55 -1.65 0.33 0.00 -0.02 0.00 0.00 33.50 32.70 3kth n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kth n ASN 116 N -4.94 4.80 -4.70 2.55 4.13 -1.26 -4.51 115.26 111.32 3kth n ASN 116 Ca 0.02 -2.74 -0.31 0.00 1.68 0.00 0.00 54.58 53.23 3kth n ASN 116 Cb 0.20 -0.65 0.14 0.00 -1.54 0.00 0.00 39.78 37.93 3kth n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3kth s SER 117 N -0.63 3.43 0.01 6.41 0.01 -0.18 -4.78 113.70 117.97 3kth s SER 117 Ca 0.44 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.77 3kth s SER 117 Cb 0.33 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3kth s SER 117 CO 0.13 -2.76 -0.04 -0.70 0.41 0.00 0.00 173.24 170.28 3kth s GLU 118 N -4.74 0.32 -0.03 12.44 2.12 -0.82 -3.35 118.70 124.64 3kth s GLU 118 Ca 0.65 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.68 3kth s GLU 118 Cb -0.21 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 33.99 3kth s GLU 118 CO 0.57 0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 175.37 3kth s VAL 119 N -0.53 0.49 -0.03 3.70 1.01 -0.13 -1.65 120.40 123.27 3kth s VAL 119 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3kth s VAL 119 Cb -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3kth s VAL 119 CO -0.00 0.19 -0.10 -0.32 0.00 0.00 0.00 175.10 174.87 3kth s MET 120 N 0.60 1.05 0.15 2.72 0.00 -0.81 0.31 119.30 123.32 3kth s MET 120 Ca -0.08 -0.35 0.09 0.00 0.00 0.00 0.00 55.69 55.35 3kth s MET 120 Cb -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 34.83 33.71 3kth s MET 120 CO -0.00 0.14 -0.19 0.96 0.00 0.00 0.00 175.02 175.93 3kth s ILE 121 N 0.12 1.82 0.07 10.11 -4.36 -0.79 -2.04 121.20 126.14 3kth s ILE 121 Ca -0.02 -1.85 -0.28 0.00 -0.26 0.00 0.00 60.65 58.25 3kth s ILE 121 Cb -0.08 -1.80 0.09 0.00 1.25 0.00 0.00 42.46 41.92 3kth s ILE 121 CO 0.01 -0.25 1.09 -1.38 0.24 0.00 0.00 174.94 174.64 3kth s HIS 122 N -1.85 -0.11 0.59 1.37 -3.43 -1.26 -1.85 115.29 108.76 3kth s HIS 122 Ca 0.14 -0.10 -0.14 0.00 -0.80 0.00 0.00 55.06 54.16 3kth s HIS 122 Cb -0.07 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 3kth s HIS 122 CO 0.06 -0.58 1.03 1.14 -2.00 0.00 0.00 174.74 174.39 3kth s GLN 123 N -2.92 3.52 0.59 -0.38 -2.07 -0.15 -4.94 119.66 113.31 3kth s GLN 123 Ca 0.12 0.97 -0.19 0.00 -1.82 0.00 0.00 55.36 54.45 3kth s GLN 123 Cb 0.01 -2.07 -0.05 0.00 -1.09 0.00 0.00 33.01 29.81 3kth s GLN 123 CO -0.01 -0.63 1.00 -2.30 -1.32 0.00 0.00 175.29 172.02 3kth n PRO 124 N -2.26 0.97 -4.66 9.60 -0.02 -1.26 -5.04 135.00 132.33 3kth n PRO 124 Ca 0.07 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 3kth n PRO 124 Cb 0.54 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 3kth n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kth s LEU 125 N -2.07 2.55 0.00 2.45 1.43 -1.26 -5.10 118.68 116.68 3kth s LEU 125 Ca 0.75 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3kth s LEU 125 Cb -0.42 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3kth s LEU 125 CO 0.48 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.92 3kth n GLY 126 N 1.53 2.00 3.60 -3.19 0.00 -1.26 -5.03 105.19 102.84 3kth n GLY 126 Ca -0.16 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3kth n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kth s GLY 127 N -0.77 -0.38 0.20 -0.02 0.00 -1.26 -5.17 107.32 99.93 3kth s GLY 127 Ca 0.00 2.10 0.11 0.00 0.00 0.00 0.00 44.72 46.94 3kth s GLY 127 CO 0.00 1.51 -0.22 0.00 0.00 0.00 0.00 173.10 174.40 3kth s ALA 128 N -0.21 2.62 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.76 3kth s ALA 128 Ca -0.01 -1.66 -0.12 0.00 0.00 0.00 0.00 51.96 50.18 3kth s ALA 128 Cb -0.03 -0.37 0.12 0.00 0.00 0.00 0.00 23.12 22.84 3kth s ALA 128 CO 0.00 0.41 0.69 -1.14 0.00 0.00 0.00 175.76 175.72 3kth s GLN 129 N -2.82 0.58 0.00 0.00 2.00 -1.26 -5.04 119.66 113.12 3kth s GLN 129 Ca 0.23 1.36 0.00 0.00 -2.00 0.00 0.00 55.36 54.94 3kth s GLN 129 Cb -0.08 0.70 0.00 0.00 0.80 0.00 0.00 33.01 34.44 3kth s GLN 129 CO 0.11 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.13 3kth n GLY 130 N 5.18 0.48 3.79 2.59 0.00 -1.26 -4.83 105.19 111.15 3kth n GLY 130 Ca -0.13 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 3kth n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kth s GLN 131 N -1.45 3.35 0.21 1.61 -0.21 -1.26 -4.80 119.66 117.12 3kth s GLN 131 Ca 0.00 1.30 -0.20 0.00 0.02 0.00 0.00 55.36 56.48 3kth s GLN 131 Cb 0.00 -2.03 0.18 0.00 1.00 0.00 0.00 33.01 32.16 3kth s GLN 131 CO 0.00 -0.80 1.56 0.00 -2.12 0.00 0.00 175.29 173.93 3kth h ALA 132 N 0.67 0.04 -0.14 6.09 0.00 -1.99 0.92 119.26 124.85 3kth h ALA 132 Ca -0.48 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kth h ALA 132 Cb 1.23 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.94 3kth h ALA 132 CO 0.57 -0.67 -0.37 1.15 0.00 0.00 0.00 179.25 179.94 3kth h THR 133 N -0.06 0.00 -0.92 0.00 2.02 -1.99 -0.43 112.91 111.53 3kth h THR 133 Ca 0.30 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.73 3kth h THR 133 Cb 0.57 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 3kth h THR 133 CO -0.89 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.03 3kth h GLU 134 N -0.36 0.27 -0.40 6.66 5.08 -1.26 0.30 114.58 124.86 3kth h GLU 134 Ca 0.03 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3kth h GLU 134 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3kth h GLU 134 CO -0.32 0.18 -0.17 0.82 -1.00 0.00 0.00 179.01 178.52 3kth h ILE 135 N 0.28 1.26 -0.45 3.13 2.04 -0.02 -1.99 117.51 121.77 3kth h ILE 135 Ca 0.60 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3kth h ILE 135 Cb 1.24 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3kth h ILE 135 CO -0.62 0.42 0.11 -0.08 0.00 0.00 0.00 178.15 177.98 3kth h GLU 136 N 0.68 0.71 -0.88 2.37 4.81 0.11 0.28 114.58 122.66 3kth h GLU 136 Ca 0.11 -0.17 0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3kth h GLU 136 Cb 0.66 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 3kth h GLU 136 CO 0.05 0.71 0.52 0.82 -0.73 0.00 0.00 179.01 180.38 3kth h ILE 137 N 0.59 0.89 -0.05 2.32 1.08 -0.56 0.16 117.51 121.93 3kth h ILE 137 Ca 0.14 -0.28 -0.25 0.00 -0.39 0.00 0.00 64.86 64.07 3kth h ILE 137 Cb 0.32 -0.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3kth h ILE 137 CO 0.00 0.15 -0.95 0.00 -0.69 0.00 0.00 178.15 176.66 3kth h ALA 138 N 1.50 0.18 -0.49 1.87 0.00 -0.81 -2.59 119.26 118.90 3kth h ALA 138 Ca 0.44 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3kth h ALA 138 Cb 0.45 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kth h ALA 138 CO -0.27 0.67 0.16 0.00 0.00 0.00 0.00 179.25 179.81 3kth h ALA 139 N 0.44 0.65 -0.70 0.00 0.00 0.25 -1.51 119.26 118.38 3kth h ALA 139 Ca -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kth h ALA 139 Cb 1.60 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3kth h ALA 139 CO 0.19 0.30 0.35 0.87 0.00 0.00 0.00 179.25 180.96 3kth h LYS 140 N 0.67 0.99 0.70 0.00 1.57 -0.76 -2.13 116.57 117.61 3kth h LYS 140 Ca 0.16 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3kth h LYS 140 Cb 0.26 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.39 3kth h LYS 140 CO -0.01 0.76 -0.34 -0.09 -0.57 0.00 0.00 179.45 179.21 3kth h ARG 141 N 0.99 -0.91 -0.81 3.15 2.43 -1.05 -2.79 114.38 115.40 3kth h ARG 141 Ca 0.25 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.62 3kth h ARG 141 Cb 0.08 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 3kth h ARG 141 CO -0.03 -0.60 0.38 0.97 -1.51 0.00 0.00 179.97 179.17 3kth h ILE 142 N -1.25 0.69 -0.83 1.20 2.10 -1.27 -0.26 117.51 117.90 3kth h ILE 142 Ca -0.10 -0.18 0.06 0.00 1.08 0.00 0.00 64.86 65.72 3kth h ILE 142 Cb 0.73 0.11 -0.06 0.00 -1.09 0.00 0.00 36.82 36.50 3kth h ILE 142 CO 0.16 0.10 0.51 -0.07 -1.08 0.00 0.00 178.15 177.76 3kth h LEU 143 N 0.54 0.79 -0.46 2.19 3.38 -1.41 0.26 115.31 120.60 3kth h LEU 143 Ca 0.44 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 3kth h LEU 143 Cb 0.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3kth h LEU 143 CO -0.38 0.50 -0.06 -0.07 0.09 0.00 0.00 178.44 178.52 3kth h LEU 144 N 0.92 0.85 -0.10 1.67 3.38 -0.85 -1.16 115.31 120.01 3kth h LEU 144 Ca 0.36 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kth h LEU 144 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3kth h LEU 144 CO -0.18 0.99 -0.08 -0.07 0.09 0.00 0.00 178.44 179.19 3kth h LEU 145 N 0.70 -0.26 -0.08 1.67 3.38 0.00 0.65 115.31 121.37 3kth h LEU 145 Ca 0.12 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3kth h LEU 145 Cb 0.59 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3kth h LEU 145 CO 0.04 -0.11 -0.29 -0.09 0.09 0.00 0.00 178.44 178.07 3kth h ARG 146 N -0.09 -0.38 -0.48 1.13 2.43 -0.32 0.30 114.38 116.97 3kth h ARG 146 Ca 0.07 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3kth h ARG 146 Cb 0.19 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3kth h ARG 146 CO -0.16 -0.25 0.19 0.22 -1.51 0.00 0.00 179.97 178.46 3kth h ASP 147 N -0.39 0.22 0.01 -3.80 3.58 -0.60 0.37 116.42 115.81 3kth h ASP 147 Ca 0.08 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3kth h ASP 147 Cb 0.52 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 3kth h ASP 147 CO -0.30 0.16 -0.15 0.50 -2.88 0.00 0.00 179.24 176.56 3kth h LYS 148 N 0.38 -0.25 0.02 0.28 3.64 0.10 -2.09 116.57 118.65 3kth h LYS 148 Ca 0.22 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3kth h LYS 148 Cb 0.21 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kth h LYS 148 CO -0.21 -0.17 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.72 3kth h LEU 149 N -0.26 -0.03 -0.84 5.20 3.38 -0.58 -2.66 115.31 119.52 3kth h LEU 149 Ca 0.05 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.14 3kth h LEU 149 Cb 0.32 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 3kth h LEU 149 CO -0.14 0.03 0.36 0.78 0.09 0.00 0.00 178.44 179.56 3kth h ASN 150 N -0.08 0.32 -0.58 -0.43 2.35 -0.77 0.92 115.58 117.31 3kth h ASN 150 Ca -0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3kth h ASN 150 Cb 0.08 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3kth h ASN 150 CO 0.01 0.07 0.36 0.11 -1.65 0.00 0.00 177.43 176.32 3kth h LYS 151 N 0.44 0.78 -0.44 0.81 1.57 -1.11 -0.53 116.57 118.10 3kth h LYS 151 Ca 0.49 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.23 3kth h LYS 151 Cb 0.84 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3kth h LYS 151 CO -0.46 0.55 0.24 0.28 -0.57 0.00 0.00 179.45 179.49 3kth h VAL 152 N 0.78 1.01 -0.65 0.50 2.07 -0.56 -2.22 116.25 117.20 3kth h VAL 152 Ca 0.21 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3kth h VAL 152 Cb -0.04 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3kth h VAL 152 CO -0.04 0.09 0.41 -0.07 0.02 0.00 0.00 177.57 177.98 3kth h LEU 153 N 0.49 0.68 -0.37 2.57 3.38 -0.56 -1.56 115.31 119.94 3kth h LEU 153 Ca 0.18 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3kth h LEU 153 Cb 0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 3kth h LEU 153 CO -0.10 0.48 -0.17 0.00 0.09 0.00 0.00 178.44 178.74 3kth h ALA 154 N 1.27 0.12 0.09 1.53 0.00 -0.52 0.33 119.26 122.08 3kth h ALA 154 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kth h ALA 154 Cb -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kth h ALA 154 CO -0.09 -0.54 -0.08 0.93 0.00 0.00 0.00 179.25 179.47 3kth h GLU 155 N -0.10 -0.18 -0.55 0.00 5.08 -1.02 0.76 114.58 118.57 3kth h GLU 155 Ca 0.19 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3kth h GLU 155 Cb 0.39 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3kth h GLU 155 CO -0.44 -0.12 0.27 0.00 -1.00 0.00 0.00 179.01 177.72 3kth h ARG 156 N -0.18 0.78 0.06 2.33 2.47 -0.53 -3.28 114.38 116.02 3kth h ARG 156 Ca 0.00 -0.09 -0.33 0.00 -1.26 0.00 0.00 59.98 58.30 3kth h ARG 156 Cb 0.18 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3kth h ARG 156 CO -0.02 0.60 -1.80 0.25 0.56 0.00 0.00 179.97 179.56 3kth n THR 157 N -4.37 1.66 0.00 2.04 -2.24 0.11 -4.81 114.28 106.66 3kth n THR 157 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3kth n THR 157 Cb 0.13 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 3kth n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kth n GLY 158 N 1.75 1.73 3.75 3.38 0.00 0.26 -4.57 105.19 111.50 3kth n GLY 158 Ca -0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3kth n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kth s GLN 159 N -0.42 2.97 0.45 1.61 -1.52 -1.23 -4.97 119.66 116.55 3kth s GLN 159 Ca 0.00 1.81 -0.21 0.00 -1.95 0.00 0.00 55.36 55.01 3kth s GLN 159 Cb 0.00 -1.93 -0.09 0.00 -0.22 0.00 0.00 33.01 30.77 3kth s GLN 159 CO 0.00 -1.21 1.02 -1.25 -0.25 0.00 0.00 175.29 173.60 3kth s PRO 160 N -3.35 3.98 0.24 2.91 0.04 -1.26 -4.53 135.00 133.03 3kth s PRO 160 Ca 0.77 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 3kth s PRO 160 Cb -0.30 -2.20 0.34 0.00 0.04 0.00 0.00 34.50 32.38 3kth s PRO 160 CO 0.33 -0.27 1.60 1.25 0.04 0.00 0.00 177.00 179.95 3kth h LEU 161 N 1.83 -0.71 -0.89 -3.56 5.85 -1.93 -0.45 115.31 115.45 3kth h LEU 161 Ca -0.49 0.24 0.21 0.00 0.84 0.00 0.00 57.88 58.68 3kth h LEU 161 Cb 1.21 0.48 -0.16 0.00 0.37 0.00 0.00 40.66 42.56 3kth h LEU 161 CO 0.60 -0.26 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.07 3kth h GLU 162 N 0.00 0.04 0.37 1.25 4.39 -1.99 -0.16 114.58 118.48 3kth h GLU 162 Ca 0.38 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 3kth h GLU 162 Cb 0.59 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kth h GLU 162 CO -0.81 0.03 -0.18 0.28 -1.16 0.00 0.00 179.01 177.17 3kth h VAL 163 N 0.04 0.64 -0.87 3.13 2.07 -1.45 -2.34 116.25 117.48 3kth h VAL 163 Ca 0.49 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 67.85 3kth h VAL 163 Cb 0.90 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.38 3kth h VAL 163 CO -0.84 0.06 0.46 0.40 0.02 0.00 0.00 177.57 177.67 3kth h ILE 164 N -0.67 0.73 0.97 4.57 1.08 -1.09 0.27 117.51 123.36 3kth h ILE 164 Ca -0.05 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3kth h ILE 164 Cb 0.48 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.26 3kth h ILE 164 CO 0.08 0.12 -0.49 -0.33 -0.69 0.00 0.00 178.15 176.84 3kth h GLU 165 N 0.64 -1.28 -0.67 2.37 5.08 -0.92 -2.04 114.58 117.76 3kth h GLU 165 Ca 0.48 0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 3kth h GLU 165 Cb 0.68 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3kth h GLU 165 CO -0.37 -0.85 0.37 -0.09 -1.00 0.00 0.00 179.01 177.07 3kth h ARG 166 N -1.33 0.92 0.00 2.33 2.43 -1.08 -2.88 114.38 114.77 3kth h ARG 166 Ca -0.13 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3kth h ARG 166 Cb 1.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3kth h ARG 166 CO 0.20 0.67 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.82 3kth h ASP 167 N 0.93 0.00 -0.38 -3.80 5.19 -0.39 -3.12 116.42 114.86 3kth h ASP 167 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3kth h ASP 167 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3kth h ASP 167 CO -0.04 0.08 0.00 0.35 -3.12 0.00 0.00 179.24 176.51 3kth n THR 168 N -3.21 1.99 -0.14 0.35 -2.24 -0.78 -4.56 114.28 105.70 3kth n THR 168 Ca 0.00 -1.53 0.01 0.00 -2.27 0.00 0.00 64.05 60.26 3kth n THR 168 Cb 0.35 -0.03 0.28 0.00 -2.10 0.00 0.00 70.33 68.83 3kth n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3kth h ASP 169 N 2.46 0.74 -5.23 3.42 1.82 -1.50 -0.37 116.42 117.75 3kth h ASP 169 Ca 0.00 -0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.48 3kth h ASP 169 Cb 1.35 -0.19 -0.15 0.00 0.68 0.00 0.00 39.33 41.03 3kth h ASP 169 CO 0.21 0.58 -0.59 -0.13 -1.61 0.00 0.00 179.24 177.70 3kth s ARG 170 N -5.62 0.70 -0.33 0.28 0.52 -1.26 -4.71 118.95 108.53 3kth s ARG 170 Ca -0.10 -1.16 -0.44 0.00 -0.52 0.00 0.00 55.73 53.51 3kth s ARG 170 Cb 0.17 0.25 -0.19 0.00 0.52 0.00 0.00 34.95 35.70 3kth s ARG 170 CO 0.77 -0.17 1.39 -0.25 0.02 0.00 0.00 175.30 177.07 3kth n ASP 171 N 0.04 0.81 -4.08 0.23 8.00 -1.26 -4.81 116.55 115.48 3kth n ASP 171 Ca -0.14 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.19 3kth n ASP 171 Cb 0.62 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 3kth n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kth s ASN 172 N 2.01 4.53 -0.14 -2.24 3.04 -0.77 -5.02 114.94 116.35 3kth s ASN 172 Ca 0.98 -1.45 -0.13 0.00 0.04 0.00 0.00 52.86 52.30 3kth s ASN 172 Cb -1.39 -1.58 -0.05 0.00 -1.54 0.00 0.00 41.25 36.70 3kth s ASN 172 CO 0.72 -0.22 0.27 -0.36 -3.04 0.00 0.00 177.10 174.47 3kth s PHE 173 N 1.10 3.50 0.02 0.43 0.08 -1.26 -1.88 117.98 119.98 3kth s PHE 173 Ca -0.07 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.63 3kth s PHE 173 Cb -0.20 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3kth s PHE 173 CO -0.05 0.35 -0.13 0.15 -0.10 0.00 0.00 175.22 175.45 3kth s LYS 174 N 0.08 0.88 0.84 0.44 1.02 0.15 -5.00 119.74 118.16 3kth s LYS 174 Ca 0.16 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 3kth s LYS 174 Cb -0.13 -0.86 0.12 0.00 -0.52 0.00 0.00 37.83 36.44 3kth s LYS 174 CO 0.04 0.22 1.18 -1.54 -0.92 0.00 0.00 175.35 174.33 3kth s SER 175 N -0.90 4.04 0.14 2.83 1.04 -1.26 -0.95 113.70 118.64 3kth s SER 175 Ca 0.01 0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.69 3kth s SER 175 Cb -0.07 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.29 3kth s SER 175 CO 0.01 -2.15 1.69 0.00 0.98 0.00 0.00 173.24 173.78 3kth h ALA 176 N -1.14 0.20 -0.08 5.32 0.00 -1.78 0.42 119.26 122.20 3kth h ALA 176 Ca -0.44 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kth h ALA 176 Cb 1.29 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3kth h ALA 176 CO 0.52 -0.46 0.04 0.93 0.00 0.00 0.00 179.25 180.28 3kth h GLU 177 N 0.01 0.12 -0.52 0.00 3.07 -1.92 0.18 114.58 115.52 3kth h GLU 177 Ca 0.13 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.06 3kth h GLU 177 Cb 0.20 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 3kth h GLU 177 CO -0.27 0.22 0.35 0.93 -1.40 0.00 0.00 179.01 178.84 3kth h GLU 178 N -0.00 0.35 -0.28 2.33 5.08 -1.80 0.29 114.58 120.53 3kth h GLU 178 Ca 0.03 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3kth h GLU 178 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kth h GLU 178 CO -0.00 0.23 -0.55 0.00 -1.00 0.00 0.00 179.01 177.68 3kth h ALA 179 N 1.73 0.45 -0.10 3.43 0.00 0.71 -1.53 119.26 123.95 3kth h ALA 179 Ca 0.24 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kth h ALA 179 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kth h ALA 179 CO -0.06 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.15 3kth h LEU 180 N 0.66 0.13 -0.74 0.00 5.85 0.14 -2.11 115.31 119.24 3kth h LEU 180 Ca 0.01 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3kth h LEU 180 Cb 1.16 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3kth h LEU 180 CO 0.12 0.27 0.43 -0.33 -0.34 0.00 0.00 178.44 178.59 3kth h GLU 181 N -0.01 0.76 0.00 1.25 5.08 -0.49 -2.26 114.58 118.92 3kth h GLU 181 Ca 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3kth h GLU 181 Cb 0.18 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kth h GLU 181 CO -0.00 0.50 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.44 3kth h TYR 182 N 0.78 0.00 0.00 4.33 3.20 -1.06 -3.46 116.97 120.76 3kth h TYR 182 Ca 0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3kth h TYR 182 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3kth h TYR 182 CO -0.06 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 3kth n GLY 183 N -0.48 1.12 0.14 1.82 0.00 -0.85 -4.66 105.19 102.29 3kth n GLY 183 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3kth n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kth h LEU 184 N 0.00 0.63 -9.77 0.99 3.38 -1.60 -3.35 115.31 105.60 3kth h LEU 184 Ca 0.00 -0.92 -0.61 0.00 0.09 0.00 0.00 57.88 56.43 3kth h LEU 184 Cb 0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.43 3kth h LEU 184 CO 0.00 1.71 -0.56 0.27 0.09 0.00 0.00 178.44 179.95 3kth s ILE 185 N -2.55 2.03 -0.12 1.22 -4.36 -1.23 -4.34 121.20 111.84 3kth s ILE 185 Ca -0.15 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.39 3kth s ILE 185 Cb 0.04 -2.93 -0.11 0.00 1.25 0.00 0.00 42.46 40.72 3kth s ILE 185 CO 0.86 0.00 -0.05 0.47 0.24 0.00 0.00 174.94 176.46 3kth n ASP 186 N -1.08 2.66 -3.71 4.36 8.00 0.13 -4.65 116.55 122.27 3kth n ASP 186 Ca -0.05 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3kth n ASP 186 Cb 0.66 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.92 3kth n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kth s LYS 187 N -2.27 0.86 -0.36 -1.24 2.20 -1.23 -5.05 119.74 112.66 3kth s LYS 187 Ca -0.13 -0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 3kth s LYS 187 Cb 0.04 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3kth s LYS 187 CO 0.37 -0.29 0.18 0.42 -0.36 0.00 0.00 175.35 175.68 3kth s ILE 188 N -2.52 4.38 0.44 5.43 1.01 -1.26 -2.71 121.20 125.96 3kth s ILE 188 Ca -0.05 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 3kth s ILE 188 Cb -0.01 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3kth s ILE 188 CO -0.03 -0.20 1.05 -0.76 0.00 0.00 0.00 174.94 175.00 3kth s LEU 189 N 1.52 4.01 0.00 2.97 1.43 -0.72 -4.92 118.68 122.97 3kth s LEU 189 Ca 0.01 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3kth s LEU 189 Cb -0.19 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.69 3kth s LEU 189 CO 0.06 -0.65 0.00 0.35 0.23 0.00 0.00 176.35 176.34 3kth n THR 190 N -0.47 0.00 -4.50 5.49 -2.24 -1.26 -3.81 114.28 107.50 3kth n THR 190 Ca 0.07 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 3kth n THR 190 Cb 0.51 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.51 3kth n THR 190 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kth s HIS 191 N -0.92 1.40 0.00 4.78 3.76 -1.26 -5.09 115.29 117.97 3kth s HIS 191 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3kth s HIS 191 Cb 0.00 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3kth s HIS 191 CO 0.00 0.04 0.00 1.28 -0.85 0.00 0.00 174.74 175.21 3kth n LEU 192 N 2.05 0.00 0.00 0.89 7.99 -1.26 -5.23 117.00 121.44 3kth n LEU 192 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 3kth n LEU 192 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 3kth n LEU 192 CO 0.23 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.49