#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 3.57 0.00 0.00 0.04 -1.26 -4.88 135.00 132.47 3kth s PRO 4 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3kth s PRO 4 Cb 0.00 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.48 3kth s PRO 4 CO 0.00 -1.57 0.28 2.41 0.04 0.00 0.00 177.00 178.16 3kth n THR 5 N 7.02 0.00 0.36 1.26 -1.04 -1.26 -3.79 114.28 116.83 3kth n THR 5 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3kth n THR 5 Cb 0.47 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 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 2.51 0.00 -1.56 12.58 3.14 -1.26 -4.77 118.33 128.97 3kth n VAL 6 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3kth n VAL 6 Cb 0.00 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 3kth n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kth n TYR 17 N 0.04 -2.47 -1.47 1.45 4.19 -1.26 -4.98 117.16 112.65 3kth n TYR 17 Ca 0.00 1.47 -0.48 0.00 3.31 0.00 0.00 57.90 62.21 3kth n TYR 17 Cb 0.04 -2.91 -0.03 0.00 0.49 0.00 0.00 39.34 36.93 3kth n TYR 17 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 3kth n ASP 18 N 0.94 -0.26 -0.02 2.98 4.64 -1.26 -4.89 116.55 118.67 3kth n ASP 18 Ca 0.00 1.15 -0.13 0.00 -1.38 0.00 0.00 54.79 54.43 3kth n ASP 18 Cb 0.00 -1.06 -0.08 0.00 -1.04 0.00 0.00 41.12 38.93 3kth n ASP 18 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3kth h ILE 19 N 1.54 1.32 -0.34 5.18 6.09 -1.90 -2.85 117.51 126.54 3kth h ILE 19 Ca -0.34 -1.01 0.07 0.00 -1.37 0.00 0.00 64.86 62.21 3kth h ILE 19 Cb 1.40 1.88 -0.02 0.00 0.47 0.00 0.00 36.82 40.56 3kth h ILE 19 CO 0.60 0.28 0.24 1.88 -3.07 0.00 0.00 178.15 178.07 3kth h TYR 20 N -0.26 0.15 -0.19 2.19 0.05 -1.92 -2.18 116.97 114.81 3kth h TYR 20 Ca 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 3kth h TYR 20 Cb 0.45 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 3kth h TYR 20 CO 0.07 0.08 -0.23 0.77 -1.05 0.00 0.00 178.16 177.80 3kth h SER 21 N 0.15 0.53 -0.57 3.88 0.02 -1.90 -2.14 113.55 113.53 3kth h SER 21 Ca 0.16 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3kth h SER 21 Cb 0.43 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3kth h SER 21 CO -0.02 0.92 0.31 -0.09 -1.14 0.00 0.00 176.83 176.81 3kth h ARG 22 N 0.15 0.82 -0.00 3.45 9.65 -1.17 -1.16 114.38 126.11 3kth h ARG 22 Ca 0.02 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 3kth h ARG 22 Cb 0.79 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 3kth h ARG 22 CO 0.05 0.62 -0.37 1.25 2.80 0.00 0.00 179.97 184.32 3kth h LEU 23 N 0.83 0.01 -1.24 3.80 5.85 -1.36 -1.43 115.31 121.78 3kth h LEU 23 Ca 0.21 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 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 -0.28 0.25 -0.34 0.00 0.00 178.44 178.42 3kth h LEU 24 N 0.01 0.00 -1.63 2.25 5.85 -0.53 -2.41 115.31 118.84 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 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3kth h LEU 24 CO 0.05 0.28 -0.06 0.50 -0.34 0.00 0.00 178.44 178.87 3kth h LYS 25 N 0.00 0.16 -0.69 1.25 3.64 -0.83 0.84 116.57 120.94 3kth h LYS 25 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kth h LYS 25 Cb 0.71 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3kth h LYS 25 CO 0.04 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 3kth n ASP 26 N -4.38 4.17 -3.03 4.20 10.43 -1.00 -4.91 116.55 122.04 3kth n ASP 26 Ca -0.01 -2.58 -0.15 0.00 2.57 0.00 0.00 54.79 54.61 3kth n ASP 26 Cb 0.19 -0.60 0.07 0.00 1.84 0.00 0.00 41.12 42.62 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 0.51 -5.77 -4.62 -1.24 1.74 0.29 -4.93 116.66 102.64 3kth n ARG 27 Ca 0.19 0.70 -0.28 0.00 -0.77 0.00 0.00 57.85 57.70 3kth n ARG 27 Cb 0.87 -5.31 -0.17 0.00 -1.02 0.00 0.00 32.46 26.83 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 -3.29 1.44 -0.13 0.55 1.01 -0.94 -2.03 121.20 117.81 3kth s ILE 28 Ca 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3kth s ILE 28 Cb -0.05 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3kth s ILE 28 CO 0.61 0.43 -0.08 -0.63 0.00 0.00 0.00 174.94 175.27 3kth s ILE 29 N 0.78 3.55 -0.30 2.92 1.01 0.47 -3.46 121.20 126.15 3kth s ILE 29 Ca -0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3kth s ILE 29 Cb -0.16 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3kth s ILE 29 CO 0.02 0.53 0.09 -0.04 0.00 0.00 0.00 174.94 175.54 3kth s MET 30 N 0.08 3.04 -0.41 2.79 -1.94 -1.26 -1.07 119.30 120.52 3kth s MET 30 Ca -0.03 -0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 53.00 3kth s MET 30 Cb -0.14 -3.40 0.09 0.00 2.01 0.00 0.00 34.83 33.40 3kth s MET 30 CO 0.03 -0.47 0.23 -1.17 -0.01 0.00 0.00 175.02 173.63 3kth s LEU 31 N 1.49 5.16 -0.39 -0.03 2.96 -0.72 -4.95 118.68 122.20 3kth s LEU 31 Ca 0.02 -1.73 0.12 0.00 -0.22 0.00 0.00 54.13 52.32 3kth s LEU 31 Cb -0.17 -1.91 0.42 0.00 0.50 0.00 0.00 46.19 45.02 3kth s LEU 31 CO 0.03 -0.54 0.96 0.61 -1.32 0.00 0.00 176.35 176.08 3kth n GLY 32 N 4.78 3.50 3.83 7.98 0.00 -1.26 -1.11 105.19 122.92 3kth n GLY 32 Ca -0.07 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.15 -0.04 0.89 1.61 1.04 -1.21 -4.94 113.70 107.90 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 0.41 0.66 0.13 0.00 0.10 0.00 0.00 66.02 67.32 3kth s SER 33 CO -0.06 -1.30 1.10 0.00 0.98 0.00 0.00 173.24 173.96 3kth s ALA 34 N -2.54 1.52 -0.32 5.32 0.00 -1.26 -4.41 121.76 120.07 3kth s ALA 34 Ca 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.23 3kth s ALA 34 Cb -0.04 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3kth s ALA 34 CO 0.08 -2.44 0.15 0.42 0.00 0.00 0.00 175.76 173.96 3kth s ILE 35 N -2.80 4.41 0.19 0.00 1.01 0.67 -4.86 121.20 119.82 3kth s ILE 35 Ca 0.64 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3kth s ILE 35 Cb -0.20 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 3kth s ILE 35 CO 0.58 -0.02 0.05 1.51 0.00 0.00 0.00 174.94 177.06 3kth s ASP 36 N 1.56 1.00 0.31 3.58 3.84 -1.26 -0.35 116.67 125.36 3kth s ASP 36 Ca 0.03 -1.26 0.18 0.00 -0.00 0.00 0.00 52.55 51.51 3kth s ASP 36 Cb -0.18 0.18 1.13 0.00 -1.38 0.00 0.00 42.92 42.67 3kth s ASP 36 CO 0.05 -0.66 1.31 0.47 -0.00 0.00 0.00 175.17 176.34 3kth n ASP 37 N -0.29 0.28 0.08 2.11 10.43 -1.26 -0.56 116.55 127.34 3kth n ASP 37 Ca -0.04 1.36 -0.12 0.00 2.57 0.00 0.00 54.79 58.57 3kth n ASP 37 Cb 0.64 -0.67 -0.08 0.00 1.84 0.00 0.00 41.12 42.86 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 -0.21 -0.65 -2.24 -0.73 -1.99 -1.97 115.58 107.80 3kth h ASN 38 Ca 0.71 -0.32 0.04 0.00 1.87 0.00 0.00 56.30 58.60 3kth h ASN 38 Cb 1.90 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 40.49 3kth h ASN 38 CO -0.62 0.27 0.38 0.58 -0.37 0.00 0.00 177.43 177.67 3kth h VAL 39 N -0.76 1.03 -0.26 2.57 2.07 -1.16 -1.58 116.25 118.14 3kth h VAL 39 Ca -0.03 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kth h VAL 39 Cb 0.51 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3kth h VAL 39 CO 0.04 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.86 3kth h ALA 40 N 1.31 0.30 -0.83 1.67 0.00 -1.20 -0.87 119.26 119.64 3kth h ALA 40 Ca 0.27 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3kth h ALA 40 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3kth h ALA 40 CO -0.14 -0.32 0.54 -0.97 0.00 0.00 0.00 179.25 178.37 3kth h ASN 41 N 0.21 0.80 0.19 0.00 -0.00 -0.64 0.24 115.58 116.38 3kth h ASN 41 Ca 0.12 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.41 3kth h ASN 41 Cb 0.08 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 3kth h ASN 41 CO -0.12 0.51 -0.09 -1.28 -0.00 0.00 0.00 177.43 176.45 3kth h SER 42 N 0.90 -0.21 -0.98 1.15 0.87 -0.57 -2.32 113.55 112.39 3kth h SER 42 Ca 0.36 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3kth h SER 42 Cb 0.24 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 3kth h SER 42 CO -0.13 0.24 0.65 0.40 -0.53 0.00 0.00 176.83 177.46 3kth h ILE 43 N -0.72 1.25 -0.53 2.23 2.04 -0.86 0.16 117.51 121.07 3kth h ILE 43 Ca -0.03 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3kth h ILE 43 Cb 0.50 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3kth h ILE 43 CO 0.04 0.24 0.25 0.58 0.00 0.00 0.00 178.15 179.26 3kth h VAL 44 N 1.33 1.20 -0.91 1.67 2.07 -0.57 0.02 116.25 121.08 3kth h VAL 44 Ca 0.36 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kth h VAL 44 Cb -0.15 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3kth h VAL 44 CO -0.08 0.23 0.57 0.28 0.02 0.00 0.00 177.57 178.59 3kth h SER 45 N 0.72 1.06 -0.38 0.57 0.02 -0.74 0.86 113.55 115.66 3kth h SER 45 Ca 0.18 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3kth h SER 45 Cb 0.13 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3kth h SER 45 CO -0.02 0.79 0.04 1.56 -1.14 0.00 0.00 176.83 178.06 3kth h GLN 46 N 1.24 0.64 0.18 3.45 4.20 -0.38 -0.88 115.11 123.55 3kth h GLN 46 Ca 0.33 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3kth h GLN 46 Cb -0.10 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 3kth h GLN 46 CO -0.07 0.71 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.62 3kth h LEU 47 N 0.47 -0.28 -0.74 1.46 3.38 -0.32 -0.82 115.31 118.45 3kth h LEU 47 Ca 0.11 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3kth h LEU 47 Cb 0.40 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3kth h LEU 47 CO 0.01 -0.18 0.38 -0.07 0.09 0.00 0.00 178.44 178.67 3kth h LEU 48 N -0.29 0.50 0.00 1.67 3.38 -0.73 -1.36 115.31 118.48 3kth h LEU 48 Ca -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kth h LEU 48 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kth h LEU 48 CO 0.02 0.27 -0.00 0.15 0.09 0.00 0.00 178.44 178.97 3kth h PHE 49 N 0.63 -0.01 -0.96 1.13 3.57 -0.81 -2.48 116.94 118.01 3kth h PHE 49 Ca 0.37 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.93 3kth h PHE 49 Cb 0.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3kth h PHE 49 CO -0.10 0.06 0.63 -0.07 -2.23 0.00 0.00 178.31 176.59 3kth h LEU 50 N -0.07 1.00 -1.70 0.59 3.38 -0.65 -0.72 115.31 117.15 3kth h LEU 50 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kth h LEU 50 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kth h LEU 50 CO 0.00 0.66 -0.17 0.00 0.09 0.00 0.00 178.44 179.02 3kth h ALA 51 N 1.47 1.29 0.00 1.53 0.00 -1.03 -2.35 119.26 120.17 3kth h ALA 51 Ca 0.40 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 3kth h ALA 51 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kth h ALA 51 CO -0.14 0.22 -0.87 0.00 0.00 0.00 0.00 179.25 178.45 3kth h ALA 52 N 1.83 0.52 -0.07 0.00 0.00 -0.70 -2.88 119.26 117.96 3kth h ALA 52 Ca -0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 53.93 3kth h ALA 52 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kth h ALA 52 CO 0.02 1.01 -0.82 0.93 0.00 0.00 0.00 179.25 180.39 3kth h GLU 53 N 0.00 0.54 -0.61 0.00 4.39 -0.88 -3.43 114.58 114.60 3kth h GLU 53 Ca -0.03 -0.48 0.06 0.00 0.34 0.00 0.00 59.36 59.25 3kth h GLU 53 Cb 1.63 0.11 -0.19 0.00 -0.10 0.00 0.00 28.75 30.20 3kth h GLU 53 CO 0.10 1.11 -0.25 0.34 -1.16 0.00 0.00 179.01 179.15 3kth s ASP 54 N -7.07 -0.96 0.00 1.42 -1.08 -1.05 -5.01 116.67 102.93 3kth s ASP 54 Ca -0.07 -0.28 0.12 0.00 -0.52 0.00 0.00 52.55 51.79 3kth s ASP 54 Cb 0.09 1.34 0.72 0.00 -1.46 0.00 0.00 42.92 43.61 3kth s ASP 54 CO 0.87 -0.13 1.14 -0.81 0.52 0.00 0.00 175.17 176.77 3kth n PRO 55 N 4.45 0.42 -0.10 4.34 -0.04 -1.09 -3.01 135.00 139.96 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 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.95 0.61 -2.03 0.54 -0.58 -1.26 -3.16 120.64 113.80 3kth n GLU 56 Ca 0.09 0.41 -0.39 0.00 -0.42 0.00 0.00 57.16 56.85 3kth n GLU 56 Cb 0.04 -1.65 0.01 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.45 3.69 0.81 3.49 1.02 -1.16 -4.78 119.74 120.35 3kth s LYS 57 Ca -0.32 2.09 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 3kth s LYS 57 Cb 0.09 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.95 3kth s LYS 57 CO 0.59 -0.70 1.11 -2.00 -0.92 0.00 0.00 175.35 173.43 3kth s GLU 58 N -2.54 1.93 -0.01 1.68 2.12 -1.26 -4.51 118.70 116.10 3kth s GLU 58 Ca 0.63 1.31 0.04 0.00 0.36 0.00 0.00 54.97 57.30 3kth s GLU 58 Cb -0.36 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 3kth s GLU 58 CO 0.45 -1.91 -0.13 0.42 -0.54 0.00 0.00 175.26 173.55 3kth s ILE 59 N -2.77 1.03 -0.15 -3.70 1.01 -0.53 -4.94 121.20 111.15 3kth s ILE 59 Ca 0.63 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 3kth s ILE 59 Cb -0.19 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 3kth s ILE 59 CO 0.55 0.30 -0.12 -0.44 0.00 0.00 0.00 174.94 175.23 3kth s SER 60 N -0.22 4.03 -0.41 3.58 0.01 -0.86 0.99 113.70 120.82 3kth s SER 60 Ca 0.03 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3kth s SER 60 Cb -0.06 -1.63 0.11 0.00 0.21 0.00 0.00 66.02 64.65 3kth s SER 60 CO -0.00 0.13 0.17 -0.22 0.41 0.00 0.00 173.24 173.72 3kth s LEU 61 N 0.59 4.98 0.27 2.44 2.96 0.17 -0.40 118.68 129.69 3kth s LEU 61 Ca -0.07 -2.24 -0.29 0.00 -0.22 0.00 0.00 54.13 51.31 3kth s LEU 61 Cb -0.15 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 3kth s LEU 61 CO 0.03 -0.44 1.15 -0.31 -1.32 0.00 0.00 176.35 175.47 3kth s TYR 62 N 0.82 3.46 -0.10 5.38 1.51 -0.23 -2.35 117.35 125.83 3kth s TYR 62 Ca 0.11 1.60 -0.00 0.00 -1.01 0.00 0.00 57.07 57.76 3kth s TYR 62 Cb -0.21 -3.38 0.02 0.00 -0.11 0.00 0.00 41.96 38.28 3kth s TYR 62 CO -0.05 -0.90 -0.06 0.42 -1.11 0.00 0.00 175.55 173.84 3kth s ILE 63 N -0.96 0.91 -0.41 2.71 1.01 0.14 -1.76 121.20 122.84 3kth s ILE 63 Ca 0.47 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.93 3kth s ILE 63 Cb -0.33 -0.94 0.17 0.00 0.01 0.00 0.00 42.46 41.36 3kth s ILE 63 CO 0.42 0.34 0.37 0.21 0.00 0.00 0.00 174.94 176.28 3kth s ASN 64 N 1.67 1.30 0.02 3.58 2.47 -0.26 -1.13 114.94 122.59 3kth s ASN 64 Ca 0.03 -2.67 0.01 0.00 0.42 0.00 0.00 52.86 50.66 3kth s ASN 64 Cb -0.13 -0.09 -0.02 0.00 -1.45 0.00 0.00 41.25 39.57 3kth s ASN 64 CO -0.07 -0.19 -0.04 -0.55 -3.72 0.00 0.00 177.10 172.54 3kth s SER 65 N 0.42 0.39 0.00 -4.21 0.15 0.10 -3.32 113.70 107.22 3kth s SER 65 Ca 0.29 -0.39 0.30 0.00 0.70 0.00 0.00 55.95 56.85 3kth s SER 65 Cb -0.02 0.05 1.51 0.00 -1.71 0.00 0.00 66.02 65.85 3kth s SER 65 CO -0.14 -0.19 2.05 -0.81 1.20 0.00 0.00 173.24 175.35 3kth n PRO 66 N 1.94 0.42 0.00 5.44 -0.04 -1.26 -1.80 135.00 139.70 3kth n PRO 66 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3kth n PRO 66 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.27 -0.09 0.00 0.55 0.00 -1.19 -4.42 105.19 101.31 3kth n GLY 67 Ca 0.14 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.61 3.73 -0.02 0.00 -1.26 -0.23 105.19 106.79 3kth n GLY 68 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 7.02 0.18 1.61 0.15 0.53 -4.75 113.70 114.44 3kth s SER 69 Ca 0.00 2.23 -0.13 0.00 0.70 0.00 0.00 55.95 58.75 3kth s SER 69 Cb 0.00 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 3kth s SER 69 CO 0.00 -0.45 1.75 0.40 1.20 0.00 0.00 173.24 176.14 3kth h ILE 70 N 3.95 0.83 -0.16 6.45 5.03 -1.96 -1.02 117.51 130.63 3kth h ILE 70 Ca -0.44 -0.11 -0.03 0.00 -0.12 0.00 0.00 64.86 64.17 3kth h ILE 70 Cb 1.21 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 3kth h ILE 70 CO 0.78 0.06 0.00 0.71 -0.68 0.00 0.00 178.15 179.02 3kth h THR 71 N 0.32 1.25 -0.95 -0.27 1.35 -1.98 -1.81 112.91 110.82 3kth h THR 71 Ca 0.22 -0.84 0.11 0.00 -0.55 0.00 0.00 66.41 65.36 3kth h THR 71 Cb 0.24 1.48 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 3kth h THR 71 CO -0.24 0.25 0.61 0.00 -0.25 0.00 0.00 175.52 175.89 3kth h ALA 72 N 0.77 1.60 0.42 6.62 0.00 -1.86 -0.80 119.26 126.01 3kth h ALA 72 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kth h ALA 72 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kth h ALA 72 CO 0.01 0.19 -0.20 0.78 0.00 0.00 0.00 179.25 180.02 3kth h GLY 73 N 0.93 -0.59 0.74 0.00 0.00 -0.88 -2.92 103.07 100.36 3kth h GLY 73 Ca 0.46 0.22 0.13 0.00 0.00 0.00 0.00 47.33 48.14 3kth h GLY 73 CO -0.22 -0.21 0.50 -0.33 0.00 0.00 0.00 176.54 176.27 3kth h MET 74 N -0.75 0.47 -0.06 4.80 2.86 -0.72 0.11 114.93 121.65 3kth h MET 74 Ca -0.06 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kth h MET 74 Cb 0.53 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3kth h MET 74 CO 0.09 0.31 -0.09 0.00 1.06 0.00 0.00 176.91 178.29 3kth h ALA 75 N 1.64 -0.04 0.50 6.32 0.00 -1.01 0.29 119.26 126.95 3kth h ALA 75 Ca 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3kth h ALA 75 Cb 0.73 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kth h ALA 75 CO -0.12 -0.56 -0.33 0.82 0.00 0.00 0.00 179.25 179.05 3kth h ILE 76 N -0.12 0.32 -0.11 0.00 1.08 -0.79 -1.53 117.51 116.36 3kth h ILE 76 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3kth h ILE 76 Cb 0.20 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 3kth h ILE 76 CO -0.13 0.00 -0.09 0.22 -0.69 0.00 0.00 178.15 177.45 3kth h TYR 77 N -0.80 -0.30 -0.85 1.37 3.20 -0.41 0.46 116.97 119.64 3kth h TYR 77 Ca -0.06 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.00 3kth h TYR 77 Cb 0.67 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.97 3kth h TYR 77 CO -0.12 -0.07 0.40 -0.44 -1.64 0.00 0.00 178.16 176.29 3kth h ASP 78 N -0.04 0.42 -0.89 -2.11 3.45 -0.45 0.11 116.42 116.91 3kth h ASP 78 Ca 0.02 0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.62 3kth h ASP 78 Cb 0.09 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.87 3kth h ASP 78 CO -0.12 0.12 0.59 0.74 -1.57 0.00 0.00 179.24 179.00 3kth h THR 79 N 0.52 1.18 -0.29 0.35 2.02 -0.14 0.33 112.91 116.88 3kth h THR 79 Ca 0.49 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3kth h THR 79 Cb 0.79 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3kth h THR 79 CO -0.43 0.21 0.13 0.24 0.37 0.00 0.00 175.52 176.04 3kth h MET 80 N 1.15 0.42 0.00 6.66 2.86 0.13 -2.11 114.93 124.04 3kth h MET 80 Ca 0.35 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.81 3kth h MET 80 Cb -0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3kth h MET 80 CO -0.09 0.42 -0.53 1.96 1.06 0.00 0.00 176.91 179.72 3kth h GLN 81 N 0.32 0.00 -0.03 1.72 1.08 -0.87 -3.30 115.11 114.03 3kth h GLN 81 Ca 0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3kth h GLN 81 Cb 0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3kth h GLN 81 CO -0.01 0.53 -0.03 0.35 -0.95 0.00 0.00 178.83 178.72 3kth h PHE 82 N 0.00 0.08 -4.18 2.96 3.57 -0.07 -3.45 116.94 115.85 3kth h PHE 82 Ca -0.01 -0.02 -0.52 0.00 3.53 0.00 0.00 57.97 60.95 3kth h PHE 82 Cb 1.01 -0.02 0.14 0.00 2.79 0.00 0.00 35.95 39.86 3kth h PHE 82 CO 0.00 0.52 0.39 0.96 -2.23 0.00 0.00 178.31 177.95 3kth s ILE 83 N -4.34 2.63 0.04 1.41 -4.36 -0.82 -4.97 121.20 110.79 3kth s ILE 83 Ca -0.15 0.30 -0.25 0.00 -0.26 0.00 0.00 60.65 60.29 3kth s ILE 83 Cb 0.02 -2.86 -0.17 0.00 1.25 0.00 0.00 42.46 40.71 3kth s ILE 83 CO 0.69 -0.17 1.50 0.50 0.24 0.00 0.00 174.94 177.71 3kth h LYS 84 N -0.15 -0.10 -6.74 0.37 1.63 -1.88 -3.45 116.57 106.26 3kth h LYS 84 Ca -0.47 0.01 -0.56 0.00 -0.85 0.00 0.00 60.65 58.77 3kth h LYS 84 Cb 1.28 0.02 0.18 0.00 -0.60 0.00 0.00 32.23 33.11 3kth h LYS 84 CO 0.51 0.13 -0.19 -2.30 -3.45 0.00 0.00 179.45 174.15 3kth n PRO 85 N -5.03 0.47 -3.30 1.90 -0.02 -1.19 -4.95 135.00 122.87 3kth n PRO 85 Ca -0.08 0.20 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 3kth n PRO 85 Cb 0.15 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.82 4.23 -0.31 -0.52 1.02 -1.26 -4.93 119.74 115.14 3kth s LYS 86 Ca 0.70 0.37 -0.16 0.00 0.02 0.00 0.00 55.97 56.90 3kth s LYS 86 Cb -0.37 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 3kth s LYS 86 CO 0.54 -0.03 0.42 0.08 -0.92 0.00 0.00 175.35 175.43 3kth s VAL 87 N 1.26 5.12 -0.06 3.17 1.01 -1.26 -1.46 120.40 128.17 3kth s VAL 87 Ca 0.23 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 3kth s VAL 87 Cb -0.15 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3kth s VAL 87 CO 0.09 -0.02 0.42 -0.55 0.00 0.00 0.00 175.10 175.05 3kth s SER 88 N 1.69 6.72 -0.03 3.32 0.15 0.28 -0.64 113.70 125.19 3kth s SER 88 Ca 0.16 0.86 0.03 0.00 0.70 0.00 0.00 55.95 57.70 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 0.00 173.24 175.03 3kth s THR 89 N -0.24 3.26 -0.23 6.45 -4.23 -1.06 0.42 115.64 120.03 3kth s THR 89 Ca 0.24 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3kth s THR 89 Cb -0.16 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.42 3kth s THR 89 CO 0.11 0.53 0.02 -0.63 -0.54 0.00 0.00 174.62 174.11 3kth s ILE 90 N -0.82 0.88 -0.38 2.99 1.09 -0.99 0.07 121.20 124.04 3kth s ILE 90 Ca 0.13 -0.90 -0.29 0.00 -1.10 0.00 0.00 60.65 58.49 3kth s ILE 90 Cb -0.11 -1.37 0.01 0.00 -1.06 0.00 0.00 42.46 39.93 3kth s ILE 90 CO 0.02 -0.26 1.36 0.00 -0.10 0.00 0.00 174.94 175.96 3kth s ILE 92 N 5.01 2.90 0.00 0.00 2.07 -0.29 -2.75 121.20 128.14 3kth s ILE 92 Ca 0.59 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 3kth s ILE 92 Cb -0.14 -2.47 0.00 0.00 0.13 0.00 0.00 42.46 39.98 3kth s ILE 92 CO 0.29 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 3kth n GLY 93 N 4.67 1.96 3.47 1.50 0.00 -1.26 -4.09 105.19 111.44 3kth n GLY 93 Ca -0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 0.62 -0.20 1.61 -2.45 -1.26 -1.83 119.30 115.78 3kth s MET 94 Ca 0.00 0.89 -0.03 0.00 -1.25 0.00 0.00 55.69 55.30 3kth s MET 94 Cb 0.00 0.21 0.06 0.00 1.25 0.00 0.00 34.83 36.35 3kth s MET 94 CO 0.00 -0.11 0.05 0.00 1.05 0.00 0.00 175.02 176.01 3kth s ALA 95 N 0.83 0.94 0.29 4.11 0.00 -0.63 0.01 121.76 127.31 3kth s ALA 95 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3kth s ALA 95 Cb -0.05 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 3kth s ALA 95 CO -0.07 -1.22 -0.04 0.00 0.00 0.00 0.00 175.76 174.43 3kth s ALA 96 N 1.89 2.39 0.00 0.00 0.00 -0.75 -1.73 121.76 123.57 3kth s ALA 96 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 3kth s ALA 96 Cb -0.17 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kth s ALA 96 CO -0.10 -0.10 0.00 0.45 0.00 0.00 0.00 175.76 176.01 3kth n SER 97 N -0.61 0.00 -0.30 0.00 2.88 -0.83 0.65 113.62 115.40 3kth n SER 97 Ca -0.05 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 57.77 3kth n SER 97 Cb 0.64 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.72 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 0.20 -0.10 -1.46 2.07 -1.89 0.29 114.93 114.04 3kth h MET 98 Ca 0.00 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.65 3kth h MET 98 Cb 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.65 3kth h MET 98 CO 0.00 0.13 -0.10 0.78 1.07 0.00 0.00 176.91 178.79 3kth h GLY 99 N 0.21 -0.03 0.76 8.32 0.00 -0.07 0.26 103.07 112.52 3kth h GLY 99 Ca 0.55 0.12 0.03 0.00 0.00 0.00 0.00 47.33 48.04 3kth h GLY 99 CO -0.15 -0.11 0.06 0.00 0.00 0.00 0.00 176.54 176.33 3kth h ALA 100 N 0.94 0.25 -0.35 3.60 0.00 -0.68 -1.66 119.26 121.36 3kth h ALA 100 Ca 0.07 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3kth h ALA 100 Cb 0.23 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 3kth h ALA 100 CO -0.18 -0.36 -0.37 0.35 0.00 0.00 0.00 179.25 178.69 3kth h PHE 101 N 0.15 -1.05 -0.80 0.00 3.57 -0.65 -0.45 116.94 117.72 3kth h PHE 101 Ca 0.11 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3kth h PHE 101 Cb 0.09 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3kth h PHE 101 CO -0.14 -0.41 0.53 -0.07 -2.23 0.00 0.00 178.31 175.98 3kth h LEU 102 N -0.31 0.81 -0.79 0.59 3.38 -0.14 -0.42 115.31 118.43 3kth h LEU 102 Ca 0.15 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kth h LEU 102 Cb 0.56 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3kth h LEU 102 CO -0.52 0.54 0.51 0.25 0.09 0.00 0.00 178.44 179.32 3kth h LEU 103 N 0.94 0.86 -0.83 1.67 5.85 -0.17 -1.25 115.31 122.38 3kth h LEU 103 Ca 0.33 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3kth h LEU 103 Cb 0.13 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3kth h LEU 103 CO -0.11 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 3kth h ALA 104 N 1.32 1.00 0.00 1.25 0.00 -0.12 -2.83 119.26 119.88 3kth h ALA 104 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kth h ALA 104 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kth h ALA 104 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3kth n ALA 105 N -1.94 2.27 -1.65 0.00 0.00 -0.48 -4.87 120.51 113.84 3kth n ALA 105 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 3kth n ALA 105 Cb 0.32 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 1.29 -0.08 3.60 0.00 0.00 -1.07 -4.77 105.19 104.17 3kth n GLY 106 Ca 0.06 -0.14 -0.59 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.27 0.69 -1.65 1.61 4.07 0.19 -4.76 120.64 119.53 3kth n GLU 107 Ca 0.14 0.24 -0.56 0.00 -0.06 0.00 0.00 57.16 56.92 3kth n GLU 107 Cb 0.48 -1.93 -0.07 0.00 -0.06 0.00 0.00 31.44 29.86 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 5.91 0.99 0.00 5.31 3.00 -1.26 -0.36 118.16 131.75 3kth n LYS 108 Ca 0.35 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 3kth n LYS 108 Cb 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.10 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 3.28 2.23 1.43 3.14 0.00 -1.26 -4.90 105.19 109.11 3kth n GLY 109 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.49 1.57 -3.50 1.61 5.02 0.52 -4.92 118.16 116.96 3kth n LYS 110 Ca 0.00 -3.14 -0.42 0.00 -2.02 0.00 0.00 58.31 52.73 3kth n LYS 110 Cb 0.00 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.49 2.76 0.51 1.97 0.52 -1.25 -2.55 118.95 118.42 3kth s ARG 111 Ca 0.38 -1.99 0.08 0.00 -0.52 0.00 0.00 55.73 53.69 3kth s ARG 111 Cb 0.38 -4.05 0.05 0.00 0.52 0.00 0.00 34.95 31.85 3kth s ARG 111 CO -0.07 -1.23 0.61 0.71 0.02 0.00 0.00 175.30 175.34 3kth s TYR 112 N 0.99 1.95 -0.20 -0.53 1.51 0.11 0.16 117.35 121.34 3kth s TYR 112 Ca 0.09 -0.64 -0.27 0.00 -1.01 0.00 0.00 57.07 55.24 3kth s TYR 112 Cb -0.23 -2.19 0.07 0.00 -0.11 0.00 0.00 41.96 39.50 3kth s TYR 112 CO -0.02 -0.72 0.74 0.00 -1.11 0.00 0.00 175.55 174.44 3kth s ALA 113 N -2.59 -1.79 0.60 3.71 0.00 -1.11 -1.58 121.76 119.00 3kth s ALA 113 Ca 0.53 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 54.19 3kth s ALA 113 Cb -0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3kth s ALA 113 CO 0.33 -0.34 0.99 -0.51 0.00 0.00 0.00 175.76 176.22 3kth s LEU 114 N -0.13 3.28 0.14 0.00 1.43 -1.11 -1.72 118.68 120.56 3kth s LEU 114 Ca -0.03 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.13 3kth s LEU 114 Cb -0.03 -4.28 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 3kth s LEU 114 CO 0.03 -0.86 1.22 -2.65 0.23 0.00 0.00 176.35 174.32 3kth n PRO 115 N -2.68 -0.31 -0.74 1.29 -0.02 -1.25 -1.08 135.00 130.21 3kth n PRO 115 Ca 0.05 1.20 0.06 0.00 -2.02 0.00 0.00 63.50 62.79 3kth n PRO 115 Cb 0.55 -1.77 0.33 0.00 -0.02 0.00 0.00 33.50 32.59 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 -5.03 4.91 -4.72 2.55 4.13 -1.26 -4.53 115.26 111.31 3kth n ASN 116 Ca 0.03 -2.77 -0.31 0.00 1.68 0.00 0.00 54.58 53.21 3kth n ASN 116 Cb 0.23 -0.65 0.13 0.00 -1.54 0.00 0.00 39.78 37.95 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 -0.64 3.62 0.00 6.41 0.01 -0.24 -4.78 113.70 118.09 3kth s SER 117 Ca 0.45 2.04 0.01 0.00 1.31 0.00 0.00 55.95 59.76 3kth s SER 117 Cb 0.34 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 3kth s SER 117 CO 0.13 -2.63 -0.05 -0.70 0.41 0.00 0.00 173.24 170.40 3kth s GLU 118 N -4.74 0.38 -0.03 12.44 2.12 -0.76 -3.34 118.70 124.77 3kth s GLU 118 Ca 0.65 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.75 3kth s GLU 118 Cb -0.21 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 33.86 3kth s GLU 118 CO 0.57 0.09 -0.08 0.08 -0.54 0.00 0.00 175.26 175.37 3kth s VAL 119 N -0.31 0.71 -0.02 3.70 1.01 -0.19 -1.60 120.40 123.71 3kth s VAL 119 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3kth s VAL 119 Cb -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3kth s VAL 119 CO -0.00 0.24 -0.07 -0.32 0.00 0.00 0.00 175.10 174.94 3kth s MET 120 N 0.35 0.78 0.14 2.72 0.00 -0.71 0.20 119.30 122.78 3kth s MET 120 Ca -0.05 -0.24 0.09 0.00 0.00 0.00 0.00 55.69 55.48 3kth s MET 120 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 34.83 33.94 3kth s MET 120 CO 0.01 0.09 -0.20 0.96 0.00 0.00 0.00 175.02 175.87 3kth s ILE 121 N 0.21 1.81 0.07 10.11 -4.36 -0.83 -1.97 121.20 126.24 3kth s ILE 121 Ca -0.03 -1.76 -0.27 0.00 -0.26 0.00 0.00 60.65 58.33 3kth s ILE 121 Cb -0.08 -1.74 0.09 0.00 1.25 0.00 0.00 42.46 41.98 3kth s ILE 121 CO 0.00 -0.19 1.05 -1.38 0.24 0.00 0.00 174.94 174.66 3kth s HIS 122 N -1.64 -0.14 0.64 1.37 -3.43 -1.26 -1.77 115.29 109.07 3kth s HIS 122 Ca 0.12 -0.09 -0.12 0.00 -0.80 0.00 0.00 55.06 54.18 3kth s HIS 122 Cb -0.08 0.60 -0.02 0.00 -1.43 0.00 0.00 32.58 31.65 3kth s HIS 122 CO 0.06 -0.62 1.04 1.14 -2.00 0.00 0.00 174.74 174.36 3kth s GLN 123 N -3.01 3.31 0.58 -0.38 -2.07 -0.12 -4.94 119.66 113.03 3kth s GLN 123 Ca 0.12 0.90 -0.20 0.00 -1.82 0.00 0.00 55.36 54.36 3kth s GLN 123 Cb 0.00 -2.04 -0.05 0.00 -1.09 0.00 0.00 33.01 29.84 3kth s GLN 123 CO -0.01 -0.80 1.15 -2.30 -1.32 0.00 0.00 175.29 172.01 3kth n PRO 124 N -2.75 1.22 -4.46 9.60 -0.02 -1.26 -5.05 135.00 132.29 3kth n PRO 124 Ca 0.07 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3kth n PRO 124 Cb 0.54 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.75 2.84 0.00 2.45 1.43 -1.26 -5.10 118.68 116.29 3kth s LEU 125 Ca 0.75 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3kth s LEU 125 Cb -0.42 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3kth s LEU 125 CO 0.47 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.89 3kth n GLY 126 N 1.24 1.85 3.60 -3.19 0.00 -1.26 -5.03 105.19 102.39 3kth n GLY 126 Ca -0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.97 -0.40 0.26 -0.02 0.00 -1.26 -5.17 107.32 99.76 3kth s GLY 127 Ca 0.00 2.04 0.11 0.00 0.00 0.00 0.00 44.72 46.87 3kth s GLY 127 CO 0.00 1.47 -0.18 0.00 0.00 0.00 0.00 173.10 174.39 3kth s ALA 128 N -0.28 2.78 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.85 3kth s ALA 128 Ca -0.02 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 3kth s ALA 128 Cb -0.03 -0.37 0.13 0.00 0.00 0.00 0.00 23.12 22.85 3kth s ALA 128 CO 0.01 0.32 0.77 -1.14 0.00 0.00 0.00 175.76 175.73 3kth s GLN 129 N -3.33 0.51 0.00 0.00 2.00 -1.26 -5.05 119.66 112.53 3kth s GLN 129 Ca 0.28 1.16 0.00 0.00 -2.00 0.00 0.00 55.36 54.80 3kth s GLN 129 Cb -0.06 0.56 0.00 0.00 0.80 0.00 0.00 33.01 34.31 3kth s GLN 129 CO 0.15 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.19 3kth n GLY 130 N 4.96 0.38 3.82 2.59 0.00 -1.26 -4.82 105.19 110.86 3kth n GLY 130 Ca -0.13 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.30 3.65 0.23 1.61 -0.21 -1.26 -4.81 119.66 117.57 3kth s GLN 131 Ca 0.00 1.14 -0.17 0.00 0.02 0.00 0.00 55.36 56.35 3kth s GLN 131 Cb 0.00 -2.08 0.24 0.00 1.00 0.00 0.00 33.01 32.16 3kth s GLN 131 CO 0.00 -0.53 1.56 0.00 -2.12 0.00 0.00 175.29 174.20 3kth h ALA 132 N 0.85 0.17 -0.11 6.09 0.00 -1.99 0.19 119.26 124.46 3kth h ALA 132 Ca -0.47 0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kth h ALA 132 Cb 1.21 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 3kth h ALA 132 CO 0.59 -0.61 -0.42 1.15 0.00 0.00 0.00 179.25 179.97 3kth h THR 133 N -0.03 0.00 -0.88 0.00 2.02 -1.99 -0.70 112.91 111.33 3kth h THR 133 Ca 0.34 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.74 3kth h THR 133 Cb 0.60 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 3kth h THR 133 CO -0.93 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 174.95 3kth h GLU 134 N -0.44 0.30 -0.61 6.66 5.08 -1.07 0.17 114.58 124.68 3kth h GLU 134 Ca 0.03 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3kth h GLU 134 Cb 0.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kth h GLU 134 CO -0.34 0.20 0.01 0.82 -1.00 0.00 0.00 179.01 178.70 3kth h ILE 135 N 0.31 1.26 -0.61 3.13 2.04 -0.29 -2.10 117.51 121.26 3kth h ILE 135 Ca 0.55 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3kth h ILE 135 Cb 1.08 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3kth h ILE 135 CO -0.58 0.41 0.27 -0.08 0.00 0.00 0.00 178.15 178.17 3kth h GLU 136 N 0.97 0.89 -0.87 2.37 4.81 0.71 0.30 114.58 123.77 3kth h GLU 136 Ca 0.17 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 3kth h GLU 136 Cb 0.55 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 3kth h GLU 136 CO 0.03 0.74 0.51 0.82 -0.73 0.00 0.00 179.01 180.38 3kth h ILE 137 N 0.84 0.91 -0.04 2.32 1.08 -0.63 0.19 117.51 122.19 3kth h ILE 137 Ca 0.21 -0.29 -0.20 0.00 -0.39 0.00 0.00 64.86 64.19 3kth h ILE 137 Cb 0.16 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 33.93 3kth h ILE 137 CO -0.02 0.15 -0.75 0.00 -0.69 0.00 0.00 178.15 176.84 3kth h ALA 138 N 1.47 0.14 -0.51 1.87 0.00 -0.71 -2.51 119.26 119.02 3kth h ALA 138 Ca 0.42 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kth h ALA 138 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kth h ALA 138 CO -0.25 0.51 0.25 0.00 0.00 0.00 0.00 179.25 179.76 3kth h ALA 139 N 0.40 0.65 -0.89 0.00 0.00 0.14 -0.82 119.26 118.74 3kth h ALA 139 Ca -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kth h ALA 139 Cb 1.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3kth h ALA 139 CO 0.15 0.21 0.54 0.87 0.00 0.00 0.00 179.25 181.02 3kth h LYS 140 N 0.67 1.20 0.76 0.00 1.57 -0.69 -2.02 116.57 118.08 3kth h LYS 140 Ca 0.17 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kth h LYS 140 Cb 0.11 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3kth h LYS 140 CO -0.02 0.84 -0.37 -0.09 -0.57 0.00 0.00 179.45 179.24 3kth h ARG 141 N 1.22 -0.99 -0.82 3.15 2.43 -0.95 -2.65 114.38 115.77 3kth h ARG 141 Ca 0.32 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.73 3kth h ARG 141 Cb -0.05 0.22 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 3kth h ARG 141 CO -0.06 -0.66 0.34 0.97 -1.51 0.00 0.00 179.97 179.05 3kth h ILE 142 N -1.18 0.59 -0.83 1.20 2.10 -1.12 0.09 117.51 118.35 3kth h ILE 142 Ca -0.10 -0.15 0.06 0.00 1.08 0.00 0.00 64.86 65.74 3kth h ILE 142 Cb 0.78 0.11 -0.06 0.00 -1.09 0.00 0.00 36.82 36.56 3kth h ILE 142 CO 0.17 0.08 0.51 -0.07 -1.08 0.00 0.00 178.15 177.77 3kth h LEU 143 N 0.44 0.81 -0.36 2.19 3.38 -1.34 0.27 115.31 120.70 3kth h LEU 143 Ca 0.47 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 3kth h LEU 143 Cb 0.79 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kth h LEU 143 CO -0.45 0.52 0.03 -0.07 0.09 0.00 0.00 178.44 178.55 3kth h LEU 144 N 0.94 0.60 -0.31 1.67 3.38 -0.68 -1.03 115.31 119.89 3kth h LEU 144 Ca 0.36 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kth h LEU 144 Cb 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3kth h LEU 144 CO -0.17 0.74 -0.03 -0.07 0.09 0.00 0.00 178.44 179.00 3kth h LEU 145 N 0.44 -0.19 0.05 1.67 3.38 0.03 0.83 115.31 121.52 3kth h LEU 145 Ca 0.11 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3kth h LEU 145 Cb 0.42 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3kth h LEU 145 CO 0.01 -0.06 -0.27 -0.09 0.09 0.00 0.00 178.44 178.13 3kth h ARG 146 N 0.05 -0.42 -0.51 1.13 2.43 -0.28 -0.02 114.38 116.76 3kth h ARG 146 Ca 0.15 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3kth h ARG 146 Cb 0.22 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 3kth h ARG 146 CO -0.28 -0.28 0.23 0.22 -1.51 0.00 0.00 179.97 178.35 3kth h ASP 147 N -0.43 0.30 0.05 -3.80 3.58 -0.25 -0.03 116.42 115.83 3kth h ASP 147 Ca 0.05 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.56 3kth h ASP 147 Cb 0.50 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 3kth h ASP 147 CO -0.20 0.21 -0.17 0.50 -2.88 0.00 0.00 179.24 176.70 3kth h LYS 148 N 0.45 -0.29 0.07 0.28 3.64 0.13 -2.22 116.57 118.62 3kth h LYS 148 Ca 0.24 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kth h LYS 148 Cb 0.19 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kth h LYS 148 CO -0.20 -0.19 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.69 3kth h LEU 149 N -0.30 -0.07 -0.80 5.20 3.38 -0.64 -2.56 115.31 119.50 3kth h LEU 149 Ca 0.04 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.17 3kth h LEU 149 Cb 0.35 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 3kth h LEU 149 CO -0.13 -0.03 0.29 0.78 0.09 0.00 0.00 178.44 179.44 3kth h ASN 150 N -0.11 0.20 -0.47 -0.43 2.35 -0.89 0.94 115.58 117.18 3kth h ASN 150 Ca -0.01 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3kth h ASN 150 Cb 0.09 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3kth h ASN 150 CO 0.01 0.01 0.30 0.11 -1.65 0.00 0.00 177.43 176.22 3kth h LYS 151 N 0.37 0.62 -0.66 0.81 1.57 -1.14 0.05 116.57 118.20 3kth h LYS 151 Ca 0.47 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.25 3kth h LYS 151 Cb 0.81 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 3kth h LYS 151 CO -0.49 0.43 0.39 0.28 -0.57 0.00 0.00 179.45 179.49 3kth h VAL 152 N 0.63 1.03 -0.75 0.50 2.07 -0.50 -2.08 116.25 117.15 3kth h VAL 152 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3kth h VAL 152 Cb -0.05 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3kth h VAL 152 CO -0.04 0.13 0.43 -0.07 0.02 0.00 0.00 177.57 178.05 3kth h LEU 153 N 0.74 0.93 -0.34 2.57 3.38 -0.37 -1.75 115.31 120.47 3kth h LEU 153 Ca 0.28 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3kth h LEU 153 Cb 0.10 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3kth h LEU 153 CO -0.14 0.74 -0.08 0.00 0.09 0.00 0.00 178.44 179.05 3kth h ALA 154 N 1.22 0.23 0.30 1.53 0.00 -0.33 0.24 119.26 122.46 3kth h ALA 154 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3kth h ALA 154 Cb 0.01 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kth h ALA 154 CO -0.05 -0.46 -0.15 0.93 0.00 0.00 0.00 179.25 179.53 3kth h GLU 155 N 0.00 -0.39 -0.78 0.00 5.08 -1.06 0.67 114.58 118.10 3kth h GLU 155 Ca 0.16 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3kth h GLU 155 Cb 0.25 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3kth h GLU 155 CO -0.35 -0.26 0.52 0.00 -1.00 0.00 0.00 179.01 177.92 3kth h ARG 156 N -0.41 1.01 0.10 2.33 2.47 -0.88 -3.26 114.38 115.73 3kth h ARG 156 Ca -0.04 -0.06 -0.33 0.00 -1.26 0.00 0.00 59.98 58.29 3kth h ARG 156 Cb 0.31 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3kth h ARG 156 CO 0.07 0.67 -1.78 1.79 0.56 0.00 0.00 179.97 181.27 3kth h THR 157 N 1.04 0.72 0.00 2.04 1.35 -0.37 -3.45 112.91 114.23 3kth h THR 157 Ca 0.29 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3kth h THR 157 Cb -0.08 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3kth h THR 157 CO -0.07 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 3kth n GLY 158 N 1.83 1.93 3.76 5.82 0.00 0.23 -4.57 105.19 114.19 3kth n GLY 158 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.51 3.21 0.46 1.61 -1.52 -1.23 -4.98 119.66 116.71 3kth s GLN 159 Ca 0.00 1.92 -0.21 0.00 -1.95 0.00 0.00 55.36 55.12 3kth s GLN 159 Cb 0.00 -2.13 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 3kth s GLN 159 CO 0.00 -1.04 1.03 -1.25 -0.25 0.00 0.00 175.29 173.78 3kth s PRO 160 N -3.06 3.93 0.25 2.91 0.04 -1.26 -4.52 135.00 133.29 3kth s PRO 160 Ca 0.72 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 3kth s PRO 160 Cb -0.33 -2.19 0.46 0.00 0.04 0.00 0.00 34.50 32.48 3kth s PRO 160 CO 0.37 -0.32 1.62 1.25 0.04 0.00 0.00 177.00 179.95 3kth h LEU 161 N 1.79 -0.47 -0.83 -3.56 5.85 -1.93 -0.18 115.31 115.98 3kth h LEU 161 Ca -0.49 0.22 0.19 0.00 0.84 0.00 0.00 57.88 58.64 3kth h LEU 161 Cb 1.21 0.41 -0.15 0.00 0.37 0.00 0.00 40.66 42.50 3kth h LEU 161 CO 0.60 -0.23 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.10 3kth h GLU 162 N 0.06 0.06 0.34 1.25 4.39 -1.99 0.41 114.58 119.10 3kth h GLU 162 Ca 0.44 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 3kth h GLU 162 Cb 0.77 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3kth h GLU 162 CO -0.75 0.04 -0.16 0.28 -1.16 0.00 0.00 179.01 177.26 3kth h VAL 163 N 0.06 0.68 -0.87 3.13 2.07 -1.40 -2.38 116.25 117.54 3kth h VAL 163 Ca 0.45 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.83 3kth h VAL 163 Cb 0.80 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.31 3kth h VAL 163 CO -0.77 0.06 0.46 0.40 0.02 0.00 0.00 177.57 177.74 3kth h ILE 164 N -0.62 0.72 0.61 4.57 1.08 -0.97 0.22 117.51 123.13 3kth h ILE 164 Ca -0.05 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 3kth h ILE 164 Cb 0.45 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3kth h ILE 164 CO 0.08 0.12 -0.35 -0.33 -0.69 0.00 0.00 178.15 176.97 3kth h GLU 165 N 0.64 -0.86 -0.51 2.37 5.08 -0.83 -2.01 114.58 118.45 3kth h GLU 165 Ca 0.48 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.92 3kth h GLU 165 Cb 0.69 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3kth h GLU 165 CO -0.37 -0.57 0.34 -0.09 -1.00 0.00 0.00 179.01 177.32 3kth h ARG 166 N -0.89 0.62 0.00 2.33 2.43 -1.06 -2.69 114.38 115.11 3kth h ARG 166 Ca -0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3kth h ARG 166 Cb 0.71 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kth h ARG 166 CO 0.10 0.41 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.47 3kth h ASP 167 N 0.64 0.00 -0.34 -3.80 5.19 -0.47 -3.18 116.42 114.46 3kth h ASP 167 Ca 0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 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 -0.05 0.06 0.00 0.35 -3.12 0.00 0.00 179.24 176.49 3kth n THR 168 N -3.16 2.10 -0.21 0.35 -2.24 -0.77 -4.54 114.28 105.82 3kth n THR 168 Ca 0.01 -1.63 -0.01 0.00 -2.27 0.00 0.00 64.05 60.16 3kth n THR 168 Cb 0.40 -0.11 0.21 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.27 0.88 -5.22 3.42 1.82 -1.52 -0.29 116.42 117.77 3kth h ASP 169 Ca 0.00 -0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.46 3kth h ASP 169 Cb 1.39 -0.22 -0.15 0.00 0.68 0.00 0.00 39.33 41.03 3kth h ASP 169 CO 0.22 0.69 -0.66 -0.13 -1.61 0.00 0.00 179.24 177.75 3kth s ARG 170 N -5.71 0.61 -0.39 0.28 0.52 -1.26 -4.70 118.95 108.30 3kth s ARG 170 Ca -0.11 -1.17 -0.44 0.00 -0.52 0.00 0.00 55.73 53.50 3kth s ARG 170 Cb 0.17 0.21 -0.19 0.00 0.52 0.00 0.00 34.95 35.66 3kth s ARG 170 CO 0.79 -0.12 1.44 -0.25 0.02 0.00 0.00 175.30 177.19 3kth n ASP 171 N 0.19 0.94 -4.10 0.23 8.00 -1.26 -4.81 116.55 115.74 3kth n ASP 171 Ca -0.15 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 3kth n ASP 171 Cb 0.61 -0.85 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 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 2.34 4.62 -0.17 -2.24 3.04 -0.73 -5.02 114.94 116.79 3kth s ASN 172 Ca 0.98 -1.41 -0.12 0.00 0.04 0.00 0.00 52.86 52.35 3kth s ASN 172 Cb -1.40 -1.61 -0.05 0.00 -1.54 0.00 0.00 41.25 36.65 3kth s ASN 172 CO 0.74 -0.23 0.24 -0.36 -3.04 0.00 0.00 177.10 174.46 3kth s PHE 173 N 1.14 3.46 0.04 0.43 0.08 -1.26 -1.96 117.98 119.91 3kth s PHE 173 Ca -0.06 0.52 0.05 0.00 0.12 0.00 0.00 56.93 57.56 3kth s PHE 173 Cb -0.20 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 3kth s PHE 173 CO -0.04 0.28 -0.15 0.15 -0.10 0.00 0.00 175.22 175.36 3kth s LYS 174 N 0.35 1.01 0.82 0.44 1.02 0.13 -5.00 119.74 118.50 3kth s LYS 174 Ca 0.14 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.23 3kth s LYS 174 Cb -0.12 -1.04 0.12 0.00 -0.52 0.00 0.00 37.83 36.26 3kth s LYS 174 CO 0.02 0.26 1.16 -1.54 -0.92 0.00 0.00 175.35 174.33 3kth s SER 175 N -1.18 4.12 0.15 2.83 1.04 -1.26 -1.02 113.70 118.37 3kth s SER 175 Ca 0.03 0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.65 3kth s SER 175 Cb -0.08 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.31 3kth s SER 175 CO 0.01 -2.09 1.69 0.00 0.98 0.00 0.00 173.24 173.84 3kth h ALA 176 N -1.06 0.20 0.07 5.32 0.00 -1.79 0.35 119.26 122.37 3kth h ALA 176 Ca -0.44 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kth h ALA 176 Cb 1.29 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3kth h ALA 176 CO 0.52 -0.46 -0.03 0.93 0.00 0.00 0.00 179.25 180.21 3kth h GLU 177 N 0.01 -0.09 -0.72 0.00 3.07 -1.92 0.34 114.58 115.27 3kth h GLU 177 Ca 0.14 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.14 3kth h GLU 177 Cb 0.21 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.10 3kth h GLU 177 CO -0.29 -0.03 0.48 0.93 -1.40 0.00 0.00 179.01 178.70 3kth h GLU 178 N -0.14 0.44 -0.26 2.33 5.08 -1.82 0.33 114.58 120.55 3kth h GLU 178 Ca -0.01 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 3kth h GLU 178 Cb 0.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kth h GLU 178 CO 0.02 0.29 -0.56 0.00 -1.00 0.00 0.00 179.01 177.76 3kth h ALA 179 N 1.65 0.42 0.03 3.43 0.00 0.67 -1.46 119.26 123.99 3kth h ALA 179 Ca 0.35 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kth h ALA 179 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3kth h ALA 179 CO -0.11 0.64 -0.01 1.25 0.00 0.00 0.00 179.25 181.02 3kth h LEU 180 N 0.61 -0.03 -0.80 0.00 5.85 0.21 -2.19 115.31 118.95 3kth h LEU 180 Ca 0.00 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3kth h LEU 180 Cb 1.18 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 3kth h LEU 180 CO 0.12 0.10 0.45 -0.33 -0.34 0.00 0.00 178.44 178.44 3kth h GLU 181 N -0.15 0.73 0.00 1.25 5.08 -0.42 -2.07 114.58 119.00 3kth h GLU 181 Ca -0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3kth h GLU 181 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kth h GLU 181 CO 0.01 0.48 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.35 3kth h TYR 182 N 0.75 0.00 0.00 4.33 3.20 -1.09 -3.47 116.97 120.70 3kth h TYR 182 Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3kth h TYR 182 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3kth h TYR 182 CO -0.07 0.23 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 3kth n GLY 183 N -0.33 1.19 0.13 1.82 0.00 -0.78 -4.65 105.19 102.58 3kth n GLY 183 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 0.58 -9.77 0.99 3.38 -1.61 -3.35 115.31 105.52 3kth h LEU 184 Ca 0.00 -0.92 -0.60 0.00 0.09 0.00 0.00 57.88 56.45 3kth h LEU 184 Cb 0.00 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.45 3kth h LEU 184 CO 0.00 1.57 -0.55 0.27 0.09 0.00 0.00 178.44 179.82 3kth s ILE 185 N -2.50 2.18 -0.13 1.22 -4.36 -1.23 -4.33 121.20 112.04 3kth s ILE 185 Ca -0.14 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 3kth s ILE 185 Cb 0.03 -2.99 -0.11 0.00 1.25 0.00 0.00 42.46 40.64 3kth s ILE 185 CO 0.85 -0.01 -0.07 0.47 0.24 0.00 0.00 174.94 176.43 3kth n ASP 186 N -1.10 2.64 -3.72 4.36 8.00 0.12 -4.64 116.55 122.22 3kth n ASP 186 Ca -0.03 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 3kth n ASP 186 Cb 0.66 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.81 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 -2.28 0.83 -0.36 -1.24 2.20 -1.23 -5.05 119.74 112.61 3kth s LYS 187 Ca -0.15 -0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 3kth s LYS 187 Cb 0.04 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 3kth s LYS 187 CO 0.38 -0.27 0.19 0.42 -0.36 0.00 0.00 175.35 175.71 3kth s ILE 188 N -2.31 4.51 0.71 5.43 1.01 -1.26 -2.74 121.20 126.56 3kth s ILE 188 Ca -0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 3kth s ILE 188 Cb -0.01 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3kth s ILE 188 CO -0.02 -0.17 1.11 -0.76 0.00 0.00 0.00 174.94 175.10 3kth s LEU 189 N 1.55 3.23 0.00 2.97 1.43 -0.70 -4.92 118.68 122.24 3kth s LEU 189 Ca 0.02 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3kth s LEU 189 Cb -0.19 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.49 3kth s LEU 189 CO 0.06 -1.86 0.00 0.41 0.23 0.00 0.00 176.35 175.19 3kth n THR 190 N -2.90 0.00 -4.11 5.49 -1.04 -1.26 -3.82 114.28 106.63 3kth n THR 190 Ca 0.10 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.97 3kth n THR 190 Cb 0.52 -0.01 -0.12 0.00 -1.82 0.00 0.00 70.33 68.90 3kth n THR 190 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3kth s HIS 191 N -1.02 0.70 -2.29 -1.42 3.76 -1.26 -5.06 115.29 108.71 3kth s HIS 191 Ca 0.00 -0.39 0.30 0.00 -0.15 0.00 0.00 55.06 54.81 3kth s HIS 191 Cb 0.00 -0.42 1.41 0.00 1.11 0.00 0.00 32.58 34.68 3kth s HIS 191 CO 0.00 -0.05 1.95 1.28 -0.85 0.00 0.00 174.74 177.07