#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 4.29 -1.00 0.00 0.04 -1.26 -4.93 135.00 132.14 3kth s PRO 4 Ca 0.00 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 3kth s PRO 4 Cb 0.00 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 30.99 3kth s PRO 4 CO 0.00 -0.56 1.59 0.99 0.04 0.00 0.00 177.00 179.06 3kth s THR 5 N 2.38 3.81 -5.00 1.26 2.01 -1.26 -3.59 115.64 115.25 3kth s THR 5 Ca 0.62 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3kth s THR 5 Cb -0.30 -4.81 0.00 0.00 0.01 0.00 0.00 72.50 67.40 3kth s THR 5 CO 0.26 -1.69 0.00 1.33 -0.69 0.00 0.00 174.62 173.82 3kth n VAL 6 N 7.12 0.00 -0.21 3.82 0.24 -1.26 -4.45 118.33 123.59 3kth n VAL 6 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.65 3kth n VAL 6 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3kth n VAL 6 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3kth n ILE 7 N 2.34 0.00 -0.08 1.34 -5.35 -1.26 -4.33 119.36 112.02 3kth n ILE 7 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3kth n ILE 7 Cb 0.00 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 3kth n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kth n TYR 17 N -2.00 0.00 -2.44 4.28 4.19 -1.26 -4.83 117.16 115.09 3kth n TYR 17 Ca 0.00 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.79 3kth n TYR 17 Cb 0.00 -1.29 -0.03 0.00 0.49 0.00 0.00 39.34 38.51 3kth n TYR 17 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3kth s ASP 18 N -0.66 7.07 0.18 2.98 3.68 -1.26 -4.32 116.67 124.34 3kth s ASP 18 Ca 0.00 1.92 -0.14 0.00 2.13 0.00 0.00 52.55 56.46 3kth s ASP 18 Cb 0.00 -2.57 0.14 0.00 -1.45 0.00 0.00 42.92 39.04 3kth s ASP 18 CO 0.00 -0.51 1.75 -0.29 0.13 0.00 0.00 175.17 176.25 3kth h ILE 19 N 4.74 0.85 -0.31 4.11 6.09 -1.75 0.66 117.51 131.91 3kth h ILE 19 Ca -0.38 -0.12 0.05 0.00 -1.37 0.00 0.00 64.86 63.04 3kth h ILE 19 Cb 1.19 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 3kth h ILE 19 CO 0.84 0.06 0.21 1.88 -3.07 0.00 0.00 178.15 178.07 3kth h TYR 20 N 0.34 0.18 -0.14 2.19 0.05 -1.91 -0.59 116.97 117.09 3kth h TYR 20 Ca 0.22 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.88 3kth h TYR 20 Cb 0.22 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3kth h TYR 20 CO -0.16 0.10 -0.38 0.77 -1.05 0.00 0.00 178.16 177.44 3kth h SER 21 N 0.18 0.57 -0.35 3.88 0.02 -0.28 -2.30 113.55 115.27 3kth h SER 21 Ca 0.14 -0.59 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3kth h SER 21 Cb 0.32 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3kth h SER 21 CO -0.02 1.06 0.14 -0.09 -1.14 0.00 0.00 176.83 176.78 3kth h ARG 22 N 0.11 0.60 0.00 3.45 9.65 0.71 -0.90 114.38 127.99 3kth h ARG 22 Ca -0.01 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 3kth h ARG 22 Cb 0.99 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3kth h ARG 22 CO 0.08 0.52 -0.40 1.25 2.80 0.00 0.00 179.97 184.23 3kth h LEU 23 N 0.59 0.00 -1.10 3.80 5.85 -1.09 -1.84 115.31 121.53 3kth h LEU 23 Ca 0.14 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3kth h LEU 23 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3kth h LEU 23 CO -0.01 0.40 -0.33 0.25 -0.34 0.00 0.00 178.44 178.40 3kth h LEU 24 N 0.00 0.00 -1.64 2.25 5.85 -0.58 -2.49 115.31 118.70 3kth h LEU 24 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3kth h LEU 24 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3kth h LEU 24 CO 0.05 0.33 -0.02 0.50 -0.34 0.00 0.00 178.44 178.96 3kth h LYS 25 N 0.00 0.20 -0.69 1.25 3.64 -0.85 0.47 116.57 120.58 3kth h LYS 25 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kth h LYS 25 Cb 0.80 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3kth h LYS 25 CO 0.04 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.22 3kth n ASP 26 N -4.39 4.11 -3.00 4.20 10.43 -1.02 -4.91 116.55 121.97 3kth n ASP 26 Ca -0.01 -2.57 -0.15 0.00 2.57 0.00 0.00 54.79 54.63 3kth n ASP 26 Cb 0.17 -0.60 0.07 0.00 1.84 0.00 0.00 41.12 42.61 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 0.50 -5.59 -4.43 -1.24 1.74 0.16 -4.93 116.66 102.87 3kth n ARG 27 Ca 0.19 0.69 -0.27 0.00 -0.77 0.00 0.00 57.85 57.69 3kth n ARG 27 Cb 0.85 -5.26 -0.17 0.00 -1.02 0.00 0.00 32.46 26.87 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 1.31 -0.15 0.55 1.01 -0.97 -1.95 121.20 117.72 3kth s ILE 28 Ca 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3kth s ILE 28 Cb -0.03 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3kth s ILE 28 CO 0.60 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 175.26 3kth s ILE 29 N 0.98 3.77 -0.30 2.92 1.01 0.69 -3.51 121.20 126.76 3kth s ILE 29 Ca -0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3kth s ILE 29 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3kth s ILE 29 CO -0.01 0.51 0.12 -0.04 0.00 0.00 0.00 174.94 175.52 3kth s MET 30 N 0.26 3.22 -0.41 2.79 -1.94 -1.26 -1.20 119.30 120.77 3kth s MET 30 Ca -0.04 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.11 3kth s MET 30 Cb -0.14 -3.48 0.10 0.00 2.01 0.00 0.00 34.83 33.32 3kth s MET 30 CO 0.03 -0.43 0.21 -1.17 -0.01 0.00 0.00 175.02 173.65 3kth s LEU 31 N 1.56 5.13 -0.39 -0.03 2.96 -0.84 -4.95 118.68 122.14 3kth s LEU 31 Ca 0.04 -1.82 0.11 0.00 -0.22 0.00 0.00 54.13 52.24 3kth s LEU 31 Cb -0.17 -1.87 0.43 0.00 0.50 0.00 0.00 46.19 45.08 3kth s LEU 31 CO 0.04 -0.53 1.02 0.61 -1.32 0.00 0.00 176.35 176.18 3kth n GLY 32 N 4.71 3.83 3.83 7.98 0.00 -1.26 -1.29 105.19 122.99 3kth n GLY 32 Ca -0.06 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.31 -0.04 0.93 1.61 1.04 -1.22 -4.94 113.70 107.77 3kth s SER 33 Ca 0.38 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 3kth s SER 33 Cb 0.42 0.72 0.15 0.00 0.10 0.00 0.00 66.02 67.42 3kth s SER 33 CO -0.08 -1.42 1.10 0.00 0.98 0.00 0.00 173.24 173.82 3kth s ALA 34 N -2.52 1.30 -0.33 5.32 0.00 -1.26 -4.42 121.76 119.85 3kth s ALA 34 Ca 0.16 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.23 3kth s ALA 34 Cb -0.04 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3kth s ALA 34 CO 0.09 -2.64 0.14 0.42 0.00 0.00 0.00 175.76 173.77 3kth s ILE 35 N -2.76 4.27 0.22 0.00 1.01 0.61 -4.87 121.20 119.68 3kth s ILE 35 Ca 0.65 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3kth s ILE 35 Cb -0.20 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 3kth s ILE 35 CO 0.58 -0.08 0.03 1.51 0.00 0.00 0.00 174.94 176.98 3kth s ASP 36 N 1.52 1.42 0.28 3.58 3.84 -1.26 -0.10 116.67 125.96 3kth s ASP 36 Ca 0.02 -1.25 0.13 0.00 -0.00 0.00 0.00 52.55 51.44 3kth s ASP 36 Cb -0.18 0.09 0.96 0.00 -1.38 0.00 0.00 42.92 42.41 3kth s ASP 36 CO 0.05 -0.60 1.27 0.47 -0.00 0.00 0.00 175.17 176.36 3kth n ASP 37 N -0.37 0.18 0.10 2.11 10.43 -1.26 -0.59 116.55 127.15 3kth n ASP 37 Ca -0.04 1.35 -0.12 0.00 2.57 0.00 0.00 54.79 58.54 3kth n ASP 37 Cb 0.64 -0.61 -0.08 0.00 1.84 0.00 0.00 41.12 42.91 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 -0.25 -0.71 -2.24 -0.73 -1.99 -1.49 115.58 108.17 3kth h ASN 38 Ca 0.63 -0.26 0.05 0.00 1.87 0.00 0.00 56.30 58.59 3kth h ASN 38 Cb 1.59 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 40.19 3kth h ASN 38 CO -0.66 0.18 0.42 0.58 -0.37 0.00 0.00 177.43 177.58 3kth h VAL 39 N -0.73 1.02 -0.31 2.57 2.07 -1.18 -1.50 116.25 118.18 3kth h VAL 39 Ca -0.03 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3kth h VAL 39 Cb 0.50 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kth h VAL 39 CO 0.05 0.14 0.17 0.00 0.02 0.00 0.00 177.57 177.95 3kth h ALA 40 N 1.34 0.39 -0.89 1.67 0.00 -1.05 -0.69 119.26 120.04 3kth h ALA 40 Ca 0.31 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.28 3kth h ALA 40 Cb 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3kth h ALA 40 CO -0.16 -0.21 0.58 -0.97 0.00 0.00 0.00 179.25 178.49 3kth h ASN 41 N 0.34 0.90 0.32 0.00 -0.00 -0.42 0.89 115.58 117.61 3kth h ASN 41 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.41 3kth h ASN 41 Cb 0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 3kth h ASN 41 CO -0.08 0.59 -0.16 -1.28 -0.00 0.00 0.00 177.43 176.50 3kth h SER 42 N 1.03 -0.37 -0.94 1.15 0.87 -0.45 -2.14 113.55 112.69 3kth h SER 42 Ca 0.37 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3kth h SER 42 Cb 0.16 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.15 3kth h SER 42 CO -0.13 0.03 0.61 0.40 -0.53 0.00 0.00 176.83 177.21 3kth h ILE 43 N -0.83 1.13 -0.44 2.23 2.04 -0.90 0.77 117.51 121.52 3kth h ILE 43 Ca -0.04 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3kth h ILE 43 Cb 0.52 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3kth h ILE 43 CO 0.07 0.21 0.22 0.58 0.00 0.00 0.00 178.15 179.23 3kth h VAL 44 N 1.16 1.18 -0.93 1.67 2.07 -0.87 0.39 116.25 120.91 3kth h VAL 44 Ca 0.39 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3kth h VAL 44 Cb 0.06 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3kth h VAL 44 CO -0.14 0.19 0.61 0.28 0.02 0.00 0.00 177.57 178.53 3kth h SER 45 N 0.57 1.01 -0.35 0.57 0.02 -0.58 0.86 113.55 115.65 3kth h SER 45 Ca 0.15 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3kth h SER 45 Cb 0.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3kth h SER 45 CO -0.02 0.70 0.07 1.56 -1.14 0.00 0.00 176.83 177.99 3kth h GLN 46 N 1.18 0.58 0.15 3.45 4.20 -0.22 -1.08 115.11 123.38 3kth h GLN 46 Ca 0.37 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3kth h GLN 46 Cb -0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3kth h GLN 46 CO -0.12 0.64 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.45 3kth h LEU 47 N 0.42 -0.43 -0.83 1.46 3.38 -0.25 -0.37 115.31 118.70 3kth h LEU 47 Ca 0.11 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3kth h LEU 47 Cb 0.33 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 3kth h LEU 47 CO 0.00 -0.24 0.46 -0.07 0.09 0.00 0.00 178.44 178.68 3kth h LEU 48 N -0.35 0.62 -0.06 1.67 3.38 -0.75 -1.26 115.31 118.56 3kth h LEU 48 Ca 0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kth h LEU 48 Cb 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kth h LEU 48 CO -0.05 0.33 0.03 0.15 0.09 0.00 0.00 178.44 178.99 3kth h PHE 49 N 0.73 0.09 -0.86 1.13 3.57 -0.68 -2.47 116.94 118.44 3kth h PHE 49 Ca 0.42 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 3kth h PHE 49 Cb 0.45 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3kth h PHE 49 CO -0.07 0.19 0.57 -0.07 -2.23 0.00 0.00 178.31 176.70 3kth h LEU 50 N -0.04 0.93 -1.72 0.59 3.38 -0.58 -1.29 115.31 116.59 3kth h LEU 50 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kth h LEU 50 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kth h LEU 50 CO -0.00 0.64 -0.17 0.00 0.09 0.00 0.00 178.44 179.01 3kth h ALA 51 N 1.49 1.28 0.00 1.53 0.00 -0.98 -2.42 119.26 120.16 3kth h ALA 51 Ca 0.34 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 3kth h ALA 51 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kth h ALA 51 CO -0.10 0.21 -1.06 0.00 0.00 0.00 0.00 179.25 178.29 3kth h ALA 52 N 1.83 0.49 -0.13 0.00 0.00 -0.80 -2.92 119.26 117.74 3kth h ALA 52 Ca -0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 54.91 53.80 3kth h ALA 52 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kth h ALA 52 CO 0.02 1.19 -0.67 0.93 0.00 0.00 0.00 179.25 180.72 3kth h GLU 53 N 0.00 0.53 -0.54 0.00 4.39 -0.93 -3.43 114.58 114.59 3kth h GLU 53 Ca -0.06 -0.39 0.08 0.00 0.34 0.00 0.00 59.36 59.32 3kth h GLU 53 Cb 1.74 0.07 -0.19 0.00 -0.10 0.00 0.00 28.75 30.28 3kth h GLU 53 CO 0.11 1.01 -0.22 0.34 -1.16 0.00 0.00 179.01 179.09 3kth s ASP 54 N -6.98 -0.85 0.00 1.42 -1.08 -1.06 -5.01 116.67 103.11 3kth s ASP 54 Ca -0.07 -0.27 0.11 0.00 -0.52 0.00 0.00 52.55 51.80 3kth s ASP 54 Cb 0.10 1.22 0.64 0.00 -1.46 0.00 0.00 42.92 43.42 3kth s ASP 54 CO 0.85 -0.11 1.06 -0.81 0.52 0.00 0.00 175.17 176.68 3kth n PRO 55 N 4.37 0.40 -0.11 4.34 -0.04 -1.10 -3.01 135.00 139.85 3kth n PRO 55 Ca 0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 3kth n PRO 55 Cb 0.59 -1.42 -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 -0.92 0.60 -2.01 0.54 -0.58 -1.26 -3.16 120.64 113.85 3kth n GLU 56 Ca 0.08 0.39 -0.38 0.00 -0.42 0.00 0.00 57.16 56.83 3kth n GLU 56 Cb 0.04 -1.63 0.02 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 -2.45 3.42 0.80 3.49 1.02 -1.16 -4.78 119.74 120.07 3kth s LYS 57 Ca -0.33 2.00 -0.10 0.00 0.02 0.00 0.00 55.97 57.56 3kth s LYS 57 Cb 0.10 -2.31 0.07 0.00 -0.52 0.00 0.00 37.83 35.17 3kth s LYS 57 CO 0.57 -0.90 1.10 -2.00 -0.92 0.00 0.00 175.35 173.21 3kth s GLU 58 N -2.83 2.04 -0.00 1.68 2.12 -1.26 -4.47 118.70 115.96 3kth s GLU 58 Ca 0.68 1.21 0.04 0.00 0.36 0.00 0.00 54.97 57.26 3kth s GLU 58 Cb -0.34 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 3kth s GLU 58 CO 0.41 -1.81 -0.13 0.42 -0.54 0.00 0.00 175.26 173.60 3kth s ILE 59 N -2.87 1.05 -0.14 -3.70 1.01 -0.59 -4.93 121.20 111.03 3kth s ILE 59 Ca 0.62 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3kth s ILE 59 Cb -0.18 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 3kth s ILE 59 CO 0.56 0.25 -0.16 -0.44 0.00 0.00 0.00 174.94 175.16 3kth s SER 60 N -0.44 3.72 -0.47 3.58 0.01 -0.82 0.58 113.70 119.85 3kth s SER 60 Ca 0.05 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 3kth s SER 60 Cb -0.05 -1.56 0.13 0.00 0.21 0.00 0.00 66.02 64.74 3kth s SER 60 CO -0.00 0.13 0.25 -0.22 0.41 0.00 0.00 173.24 173.80 3kth s LEU 61 N 0.56 4.96 0.33 2.44 2.96 0.13 -0.22 118.68 129.83 3kth s LEU 61 Ca -0.10 -2.48 -0.28 0.00 -0.22 0.00 0.00 54.13 51.05 3kth s LEU 61 Cb -0.16 -1.76 -0.10 0.00 0.50 0.00 0.00 46.19 44.68 3kth s LEU 61 CO 0.04 -0.40 1.23 -0.31 -1.32 0.00 0.00 176.35 175.59 3kth s TYR 62 N 0.48 3.18 -0.09 5.38 1.51 -0.34 -2.44 117.35 125.03 3kth s TYR 62 Ca 0.13 1.51 -0.01 0.00 -1.01 0.00 0.00 57.07 57.69 3kth s TYR 62 Cb -0.22 -3.54 0.03 0.00 -0.11 0.00 0.00 41.96 38.12 3kth s TYR 62 CO -0.04 -1.45 -0.04 0.42 -1.11 0.00 0.00 175.55 173.32 3kth s ILE 63 N -1.18 0.73 -0.41 2.71 1.01 0.23 -1.98 121.20 122.31 3kth s ILE 63 Ca 0.49 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.06 3kth s ILE 63 Cb -0.37 -0.81 0.17 0.00 0.01 0.00 0.00 42.46 41.47 3kth s ILE 63 CO 0.48 0.32 0.37 0.21 0.00 0.00 0.00 174.94 176.31 3kth s ASN 64 N 1.74 1.26 0.01 3.58 2.47 -0.41 -1.00 114.94 122.59 3kth s ASN 64 Ca 0.03 -2.74 0.01 0.00 0.42 0.00 0.00 52.86 50.58 3kth s ASN 64 Cb -0.13 -0.12 -0.01 0.00 -1.45 0.00 0.00 41.25 39.54 3kth s ASN 64 CO -0.06 -0.18 -0.03 -0.55 -3.72 0.00 0.00 177.10 172.56 3kth s SER 65 N 0.34 0.34 0.00 -4.21 0.15 0.79 -3.40 113.70 107.71 3kth s SER 65 Ca 0.30 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.97 3kth s SER 65 Cb -0.01 0.02 1.40 0.00 -1.71 0.00 0.00 66.02 65.72 3kth s SER 65 CO -0.15 -0.11 1.94 -0.81 1.20 0.00 0.00 173.24 175.31 3kth n PRO 66 N 2.35 0.43 0.00 5.44 -0.04 -1.26 -1.54 135.00 140.38 3kth n PRO 66 Ca -0.17 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 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 1.00 -0.33 0.00 0.55 0.00 -1.15 -4.37 105.19 100.88 3kth n GLY 67 Ca 0.14 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.66 3.74 -0.02 0.00 -1.26 -0.28 105.19 106.70 3kth n GLY 68 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 7.18 0.18 1.61 0.15 0.86 -4.77 113.70 114.91 3kth s SER 69 Ca 0.00 2.17 -0.13 0.00 0.70 0.00 0.00 55.95 58.69 3kth s SER 69 Cb 0.00 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 3kth s SER 69 CO 0.00 -0.29 1.77 0.40 1.20 0.00 0.00 173.24 176.32 3kth h ILE 70 N 3.69 0.92 -0.08 6.45 5.03 -1.96 -1.16 117.51 130.40 3kth h ILE 70 Ca -0.45 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.12 3kth h ILE 70 Cb 1.21 0.43 -0.00 0.00 -3.03 0.00 0.00 36.82 35.43 3kth h ILE 70 CO 0.73 0.08 -0.01 0.71 -0.68 0.00 0.00 178.15 178.98 3kth h THR 71 N 0.45 1.27 -0.97 -0.27 1.35 -1.98 -1.89 112.91 110.88 3kth h THR 71 Ca 0.23 -0.87 0.17 0.00 -0.55 0.00 0.00 66.41 65.38 3kth h THR 71 Cb 0.17 1.69 -0.09 0.00 -1.73 0.00 0.00 68.15 68.19 3kth h THR 71 CO -0.18 0.24 0.61 0.00 -0.25 0.00 0.00 175.52 175.94 3kth h ALA 72 N 0.70 1.75 0.34 6.62 0.00 -1.85 -0.87 119.26 125.94 3kth h ALA 72 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kth h ALA 72 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kth h ALA 72 CO 0.01 -0.05 -0.16 0.78 0.00 0.00 0.00 179.25 179.82 3kth h GLY 73 N 0.76 -0.47 0.69 0.00 0.00 -0.94 -2.97 103.07 100.14 3kth h GLY 73 Ca 0.52 0.17 0.14 0.00 0.00 0.00 0.00 47.33 48.17 3kth h GLY 73 CO -0.29 -0.17 0.51 -0.33 0.00 0.00 0.00 176.54 176.26 3kth h MET 74 N -0.74 0.49 -0.05 4.80 2.86 -0.65 0.21 114.93 121.85 3kth h MET 74 Ca -0.05 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3kth h MET 74 Cb 0.50 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3kth h MET 74 CO 0.08 0.33 -0.13 0.00 1.06 0.00 0.00 176.91 178.25 3kth h ALA 75 N 1.63 -0.10 0.39 6.32 0.00 -1.10 0.32 119.26 126.72 3kth h ALA 75 Ca 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3kth h ALA 75 Cb 0.76 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kth h ALA 75 CO -0.14 -0.60 -0.22 0.82 0.00 0.00 0.00 179.25 179.11 3kth h ILE 76 N -0.19 0.53 -0.18 0.00 1.08 -0.77 -1.67 117.51 116.31 3kth h ILE 76 Ca 0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 3kth h ILE 76 Cb 0.27 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3kth h ILE 76 CO -0.16 0.00 -0.18 0.22 -0.69 0.00 0.00 178.15 177.34 3kth h TYR 77 N -0.58 -0.55 -0.74 1.37 3.20 -0.08 0.21 116.97 119.81 3kth h TYR 77 Ca -0.04 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.99 3kth h TYR 77 Cb 0.47 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.91 3kth h TYR 77 CO -0.08 -0.14 0.28 -0.44 -1.64 0.00 0.00 178.16 176.14 3kth h ASP 78 N -0.09 0.24 -0.94 -2.11 3.45 -0.40 0.33 116.42 116.90 3kth h ASP 78 Ca 0.03 0.11 0.07 0.00 0.43 0.00 0.00 57.03 57.67 3kth h ASP 78 Cb 0.17 0.10 -0.07 0.00 -0.56 0.00 0.00 39.33 38.97 3kth h ASP 78 CO -0.22 0.09 0.59 0.74 -1.57 0.00 0.00 179.24 178.87 3kth h THR 79 N 0.42 1.04 -0.15 0.35 2.02 -0.29 0.41 112.91 116.71 3kth h THR 79 Ca 0.40 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3kth h THR 79 Cb 0.61 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3kth h THR 79 CO -0.41 0.19 0.09 0.24 0.37 0.00 0.00 175.52 176.01 3kth h MET 80 N 1.05 0.20 -0.01 6.66 2.86 0.10 -1.89 114.93 123.91 3kth h MET 80 Ca 0.42 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.92 3kth h MET 80 Cb 0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3kth h MET 80 CO -0.19 0.18 -0.53 1.96 1.06 0.00 0.00 176.91 179.38 3kth h GLN 81 N 0.17 0.03 0.12 1.72 1.08 -0.77 -3.30 115.11 114.17 3kth h GLN 81 Ca 0.05 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3kth h GLN 81 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3kth h GLN 81 CO -0.01 0.55 -0.06 0.35 -0.95 0.00 0.00 178.83 178.72 3kth h PHE 82 N 0.02 -0.15 -4.18 2.96 3.57 0.16 -3.45 116.94 115.87 3kth h PHE 82 Ca -0.00 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 3kth h PHE 82 Cb 0.95 0.05 0.14 0.00 2.79 0.00 0.00 35.95 39.88 3kth h PHE 82 CO 0.00 0.20 0.39 0.96 -2.23 0.00 0.00 178.31 177.63 3kth s ILE 83 N -4.64 2.53 0.04 1.41 -4.36 -0.74 -4.96 121.20 110.47 3kth s ILE 83 Ca -0.15 0.26 -0.25 0.00 -0.26 0.00 0.00 60.65 60.25 3kth s ILE 83 Cb 0.02 -2.81 -0.17 0.00 1.25 0.00 0.00 42.46 40.76 3kth s ILE 83 CO 0.61 -0.14 1.49 0.50 0.24 0.00 0.00 174.94 177.64 3kth h LYS 84 N -0.23 -0.13 -6.73 0.37 1.63 -1.88 -3.45 116.57 106.16 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 0.03 0.18 0.00 -0.60 0.00 0.00 32.23 33.12 3kth h LYS 84 CO 0.51 0.11 -0.19 -2.30 -3.45 0.00 0.00 179.45 174.12 3kth n PRO 85 N -5.05 0.47 -3.28 1.90 -0.02 -1.19 -4.95 135.00 122.89 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 0.16 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.80 4.26 -0.35 -0.52 1.02 -1.26 -4.94 119.74 115.15 3kth s LYS 86 Ca 0.70 0.42 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 3kth s LYS 86 Cb -0.37 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.43 3kth s LYS 86 CO 0.54 -0.01 0.42 0.08 -0.92 0.00 0.00 175.35 175.46 3kth s VAL 87 N 1.17 5.11 -0.04 3.17 1.01 -1.26 -1.54 120.40 128.01 3kth s VAL 87 Ca 0.25 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 3kth s VAL 87 Cb -0.15 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3kth s VAL 87 CO 0.10 -0.16 0.51 -0.55 0.00 0.00 0.00 175.10 174.99 3kth s SER 88 N 1.75 6.83 -0.02 3.32 0.15 0.19 -0.34 113.70 125.59 3kth s SER 88 Ca 0.14 0.99 0.04 0.00 0.70 0.00 0.00 55.95 57.82 3kth s SER 88 Cb -0.16 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 3kth s SER 88 CO 0.12 0.12 -0.11 0.42 1.20 0.00 0.00 173.24 174.99 3kth s THR 89 N -0.13 3.30 -0.23 6.45 -4.23 -1.03 0.19 115.64 119.96 3kth s THR 89 Ca 0.27 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3kth s THR 89 Cb -0.17 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.37 3kth s THR 89 CO 0.14 0.48 0.02 -0.63 -0.54 0.00 0.00 174.62 174.09 3kth s ILE 90 N -0.87 0.87 -0.44 2.99 1.09 -1.02 -0.09 121.20 123.72 3kth s ILE 90 Ca 0.14 -0.91 -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 0.04 -0.27 1.39 0.00 -0.10 0.00 0.00 174.94 176.00 3kth s ILE 92 N 5.49 3.22 0.00 0.00 2.07 -0.17 -2.75 121.20 129.06 3kth s ILE 92 Ca 0.59 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 3kth s ILE 92 Cb -0.13 -2.59 0.00 0.00 0.13 0.00 0.00 42.46 39.88 3kth s ILE 92 CO 0.31 0.25 0.00 0.61 -1.91 0.00 0.00 174.94 174.20 3kth n GLY 93 N 4.75 2.12 3.46 1.50 0.00 -1.26 -4.05 105.19 111.71 3kth n GLY 93 Ca -0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.21 1.61 -2.45 -1.26 -2.02 119.30 115.59 3kth s MET 94 Ca 0.00 0.87 -0.03 0.00 -1.25 0.00 0.00 55.69 55.28 3kth s MET 94 Cb 0.00 0.22 0.07 0.00 1.25 0.00 0.00 34.83 36.37 3kth s MET 94 CO 0.00 -0.11 0.06 0.00 1.05 0.00 0.00 175.02 176.03 3kth s ALA 95 N 0.76 0.89 0.30 4.11 0.00 -0.66 -0.15 121.76 127.00 3kth s ALA 95 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3kth s ALA 95 Cb -0.05 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 3kth s ALA 95 CO -0.06 -1.28 -0.05 0.00 0.00 0.00 0.00 175.76 174.37 3kth s ALA 96 N 1.92 2.45 0.00 0.00 0.00 -0.59 -2.01 121.76 123.53 3kth s ALA 96 Ca 0.02 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.02 3kth s ALA 96 Cb -0.17 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3kth s ALA 96 CO -0.13 -0.08 0.00 0.45 0.00 0.00 0.00 175.76 176.00 3kth n SER 97 N -0.63 0.00 -0.29 0.00 2.88 -0.89 0.66 113.62 115.36 3kth n SER 97 Ca -0.05 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.76 3kth n SER 97 Cb 0.64 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.71 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 0.21 -0.17 -1.46 2.07 -1.89 0.64 114.93 114.33 3kth h MET 98 Ca 0.00 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 3kth h MET 98 Cb 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.64 3kth h MET 98 CO 0.00 0.14 -0.07 0.78 1.07 0.00 0.00 176.91 178.83 3kth h GLY 99 N 0.22 0.10 0.86 8.32 0.00 -0.04 0.31 103.07 112.83 3kth h GLY 99 Ca 0.54 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.98 3kth h GLY 99 CO -0.15 -0.09 0.14 0.00 0.00 0.00 0.00 176.54 176.44 3kth h ALA 100 N 1.13 0.34 -0.22 3.60 0.00 -0.66 -1.85 119.26 121.60 3kth h ALA 100 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3kth h ALA 100 Cb 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3kth h ALA 100 CO -0.20 -0.25 -0.39 0.35 0.00 0.00 0.00 179.25 178.76 3kth h PHE 101 N 0.29 -1.10 -0.96 0.00 3.57 -0.58 -0.81 116.94 117.36 3kth h PHE 101 Ca 0.12 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.76 3kth h PHE 101 Cb 0.04 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 3kth h PHE 101 CO -0.10 -0.44 0.60 -0.07 -2.23 0.00 0.00 178.31 176.07 3kth h LEU 102 N -0.41 0.92 -0.86 0.59 3.38 -0.15 -0.39 115.31 118.39 3kth h LEU 102 Ca 0.10 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3kth h LEU 102 Cb 0.59 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3kth h LEU 102 CO -0.44 0.54 0.53 0.25 0.09 0.00 0.00 178.44 179.42 3kth h LEU 103 N 1.03 0.84 -0.82 1.67 5.85 -0.34 -0.82 115.31 122.72 3kth h LEU 103 Ca 0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3kth h LEU 103 Cb 0.32 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3kth h LEU 103 CO -0.22 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 3kth h ALA 104 N 1.40 1.00 0.00 1.25 0.00 -0.14 -2.91 119.26 119.86 3kth h ALA 104 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kth h ALA 104 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kth h ALA 104 CO -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 178.97 3kth n ALA 105 N -1.93 2.45 -1.58 0.00 0.00 -0.32 -4.87 120.51 114.26 3kth n ALA 105 Ca 0.02 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 3kth n ALA 105 Cb 0.32 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 1.38 0.09 3.63 0.00 0.00 -1.10 -4.77 105.19 104.42 3kth n GLY 106 Ca 0.06 -0.21 -0.60 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.80 0.66 -1.64 1.61 4.07 0.54 -4.76 120.64 119.31 3kth n GLU 107 Ca 0.15 0.23 -0.55 0.00 -0.06 0.00 0.00 57.16 56.93 3kth n GLU 107 Cb 0.48 -1.89 -0.07 0.00 -0.06 0.00 0.00 31.44 29.91 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 5.61 1.14 0.00 5.31 3.00 -1.26 -0.31 118.16 131.64 3kth n LYS 108 Ca 0.33 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 3kth n LYS 108 Cb 0.06 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.02 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 3.26 2.36 1.49 3.14 0.00 -1.26 -4.90 105.19 109.28 3kth n GLY 109 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.51 1.79 -3.49 1.61 5.02 0.58 -4.91 118.16 117.24 3kth n LYS 110 Ca 0.00 -3.28 -0.42 0.00 -2.02 0.00 0.00 58.31 52.59 3kth n LYS 110 Cb 0.00 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.72 2.77 0.50 1.97 0.52 -1.25 -2.46 118.95 118.28 3kth s ARG 111 Ca 0.39 -1.96 0.08 0.00 -0.52 0.00 0.00 55.73 53.72 3kth s ARG 111 Cb 0.38 -4.06 0.04 0.00 0.52 0.00 0.00 34.95 31.83 3kth s ARG 111 CO -0.06 -1.23 0.59 0.71 0.02 0.00 0.00 175.30 175.32 3kth s TYR 112 N 1.04 2.07 -0.23 -0.53 1.51 0.87 0.17 117.35 122.25 3kth s TYR 112 Ca 0.09 -0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 55.27 3kth s TYR 112 Cb -0.24 -2.20 0.07 0.00 -0.11 0.00 0.00 41.96 39.49 3kth s TYR 112 CO -0.02 -0.64 0.72 0.00 -1.11 0.00 0.00 175.55 174.50 3kth s ALA 113 N -2.56 -1.78 0.60 3.71 0.00 -1.10 -1.64 121.76 119.00 3kth s ALA 113 Ca 0.53 1.89 -0.10 0.00 0.00 0.00 0.00 51.96 54.27 3kth s ALA 113 Cb -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kth s ALA 113 CO 0.32 -0.34 0.99 -0.51 0.00 0.00 0.00 175.76 176.22 3kth s LEU 114 N 0.06 3.27 0.11 0.00 1.43 -1.11 -2.06 118.68 120.38 3kth s LEU 114 Ca -0.02 1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 3kth s LEU 114 Cb -0.04 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 3kth s LEU 114 CO 0.03 -0.85 1.06 -2.65 0.23 0.00 0.00 176.35 174.16 3kth n PRO 115 N -2.69 -0.29 -0.64 1.29 -0.02 -1.26 -0.92 135.00 130.47 3kth n PRO 115 Ca 0.05 1.04 0.05 0.00 -2.02 0.00 0.00 63.50 62.62 3kth n PRO 115 Cb 0.54 -1.53 0.29 0.00 -0.02 0.00 0.00 33.50 32.79 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 -4.78 4.39 -4.72 2.55 4.13 -1.26 -4.52 115.26 111.05 3kth n ASN 116 Ca 0.01 -2.65 -0.31 0.00 1.68 0.00 0.00 54.58 53.32 3kth n ASN 116 Cb 0.17 -0.62 0.13 0.00 -1.54 0.00 0.00 39.78 37.92 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 -0.59 3.66 0.01 6.41 0.01 -0.10 -4.78 113.70 118.33 3kth s SER 117 Ca 0.40 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.68 3kth s SER 117 Cb 0.30 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 3kth s SER 117 CO 0.12 -2.60 -0.04 -0.70 0.41 0.00 0.00 173.24 170.43 3kth s GLU 118 N -4.77 0.34 -0.02 12.44 2.12 -0.85 -3.28 118.70 124.67 3kth s GLU 118 Ca 0.64 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.68 3kth s GLU 118 Cb -0.20 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3kth s GLU 118 CO 0.57 0.06 -0.06 0.08 -0.54 0.00 0.00 175.26 175.37 3kth s VAL 119 N -0.49 0.52 -0.02 3.70 1.01 -0.05 -1.65 120.40 123.42 3kth s VAL 119 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.77 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 0.18 -0.08 -0.32 0.00 0.00 0.00 175.10 174.88 3kth s MET 120 N 0.32 0.83 0.15 2.72 0.00 -0.85 0.43 119.30 122.89 3kth s MET 120 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 55.69 55.46 3kth s MET 120 Cb -0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 34.83 33.92 3kth s MET 120 CO -0.00 0.12 -0.18 0.96 0.00 0.00 0.00 175.02 175.91 3kth s ILE 121 N 0.12 1.75 0.04 10.11 -4.36 -0.81 -2.08 121.20 125.97 3kth s ILE 121 Ca -0.02 -1.82 -0.28 0.00 -0.26 0.00 0.00 60.65 58.27 3kth s ILE 121 Cb -0.07 -1.75 0.10 0.00 1.25 0.00 0.00 42.46 41.98 3kth s ILE 121 CO 0.00 -0.27 1.11 -1.38 0.24 0.00 0.00 174.94 174.64 3kth s HIS 122 N -1.86 -0.12 0.62 1.37 -3.43 -1.26 -1.59 115.29 109.02 3kth s HIS 122 Ca 0.13 -0.07 -0.13 0.00 -0.80 0.00 0.00 55.06 54.19 3kth s HIS 122 Cb -0.07 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 3kth s HIS 122 CO 0.06 -0.52 1.04 1.14 -2.00 0.00 0.00 174.74 174.46 3kth s GLN 123 N -2.84 3.35 0.59 -0.38 -2.07 -0.03 -4.94 119.66 113.34 3kth s GLN 123 Ca 0.12 1.00 -0.19 0.00 -1.82 0.00 0.00 55.36 54.47 3kth s GLN 123 Cb 0.01 -2.05 -0.04 0.00 -1.09 0.00 0.00 33.01 29.84 3kth s GLN 123 CO -0.02 -0.77 1.07 -2.30 -1.32 0.00 0.00 175.29 171.96 3kth n PRO 124 N -2.43 1.05 -4.59 9.60 -0.02 -1.26 -5.05 135.00 132.30 3kth n PRO 124 Ca 0.07 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 3kth n PRO 124 Cb 0.53 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.53 2.68 0.00 2.45 1.43 -1.26 -5.10 118.68 116.34 3kth s LEU 125 Ca 0.76 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3kth s LEU 125 Cb -0.42 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3kth s LEU 125 CO 0.47 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.90 3kth n GLY 126 N 1.44 2.01 3.60 -3.19 0.00 -1.26 -5.03 105.19 102.76 3kth n GLY 126 Ca -0.16 -0.80 -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 -0.80 -0.38 0.27 -0.02 0.00 -1.26 -5.17 107.32 99.96 3kth s GLY 127 Ca 0.00 2.05 0.12 0.00 0.00 0.00 0.00 44.72 46.89 3kth s GLY 127 CO 0.00 1.45 -0.19 0.00 0.00 0.00 0.00 173.10 174.37 3kth s ALA 128 N -0.31 2.77 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.80 3kth s ALA 128 Ca -0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 3kth s ALA 128 Cb -0.03 -0.31 0.14 0.00 0.00 0.00 0.00 23.12 22.92 3kth s ALA 128 CO 0.01 0.29 0.81 -1.14 0.00 0.00 0.00 175.76 175.74 3kth s GLN 129 N -3.45 0.46 0.00 0.00 2.00 -1.26 -5.05 119.66 112.36 3kth s GLN 129 Ca 0.29 1.09 0.00 0.00 -2.00 0.00 0.00 55.36 54.75 3kth s GLN 129 Cb -0.05 0.60 0.00 0.00 0.80 0.00 0.00 33.01 34.35 3kth s GLN 129 CO 0.15 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.20 3kth n GLY 130 N 5.06 0.46 3.81 2.59 0.00 -1.26 -4.83 105.19 111.03 3kth n GLY 130 Ca -0.12 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.51 3.37 0.23 1.61 -0.21 -1.26 -4.80 119.66 117.08 3kth s GLN 131 Ca 0.00 1.11 -0.15 0.00 0.02 0.00 0.00 55.36 56.35 3kth s GLN 131 Cb 0.00 -2.04 0.27 0.00 1.00 0.00 0.00 33.01 32.24 3kth s GLN 131 CO 0.00 -0.76 1.58 0.00 -2.12 0.00 0.00 175.29 173.99 3kth h ALA 132 N 0.31 0.32 -0.08 6.09 0.00 -1.99 0.57 119.26 124.48 3kth h ALA 132 Ca -0.46 0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kth h ALA 132 Cb 1.21 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3kth h ALA 132 CO 0.58 -0.51 -0.38 1.15 0.00 0.00 0.00 179.25 180.09 3kth h THR 133 N -0.04 0.00 -0.88 0.00 2.02 -1.99 -0.64 112.91 111.37 3kth h THR 133 Ca 0.34 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.76 3kth h THR 133 Cb 0.59 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.86 3kth h THR 133 CO -0.82 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 174.98 3kth h GLU 134 N -0.42 0.21 -0.52 6.66 5.08 -1.31 0.25 114.58 124.54 3kth h GLU 134 Ca 0.02 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3kth h GLU 134 Cb 0.48 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kth h GLU 134 CO -0.30 0.14 -0.03 0.82 -1.00 0.00 0.00 179.01 178.64 3kth h ILE 135 N 0.22 1.26 -0.40 3.13 2.04 -0.44 -1.95 117.51 121.36 3kth h ILE 135 Ca 0.55 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3kth h ILE 135 Cb 1.10 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3kth h ILE 135 CO -0.64 0.39 0.15 -0.08 0.00 0.00 0.00 178.15 177.97 3kth h GLU 136 N 0.83 0.61 -0.80 2.37 4.81 0.90 0.27 114.58 123.58 3kth h GLU 136 Ca 0.15 -0.12 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 3kth h GLU 136 Cb 0.53 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 3kth h GLU 136 CO 0.03 0.59 0.40 0.82 -0.73 0.00 0.00 179.01 180.12 3kth h ILE 137 N 0.51 0.77 -0.10 2.32 1.08 -0.51 0.18 117.51 121.76 3kth h ILE 137 Ca 0.13 -0.21 -0.18 0.00 -0.39 0.00 0.00 64.86 64.21 3kth h ILE 137 Cb 0.22 0.10 0.01 0.00 -3.07 0.00 0.00 36.82 34.08 3kth h ILE 137 CO -0.01 0.11 -0.64 0.00 -0.69 0.00 0.00 178.15 176.93 3kth h ALA 138 N 1.51 0.22 -0.46 1.87 0.00 -0.73 -2.42 119.26 119.24 3kth h ALA 138 Ca 0.42 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kth h ALA 138 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kth h ALA 138 CO -0.33 0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.67 3kth h ALA 139 N 0.48 0.59 -0.99 0.00 0.00 0.15 -0.98 119.26 118.51 3kth h ALA 139 Ca -0.05 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kth h ALA 139 Cb 1.28 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3kth h ALA 139 CO 0.13 0.12 0.64 0.87 0.00 0.00 0.00 179.25 181.01 3kth h LYS 140 N 0.61 1.31 0.76 0.00 1.57 -0.68 -2.13 116.57 118.00 3kth h LYS 140 Ca 0.16 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kth h LYS 140 Cb 0.06 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 32.09 3kth h LYS 140 CO -0.03 0.88 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.28 3kth h ARG 141 N 1.35 -0.98 -0.78 3.15 2.43 -0.89 -2.67 114.38 115.98 3kth h ARG 141 Ca 0.36 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.75 3kth h ARG 141 Cb -0.13 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 29.54 3kth h ARG 141 CO -0.08 -0.65 0.31 0.97 -1.51 0.00 0.00 179.97 179.02 3kth h ILE 142 N -1.23 0.62 -0.74 1.20 2.10 -1.16 -0.03 117.51 118.27 3kth h ILE 142 Ca -0.10 -0.15 0.07 0.00 1.08 0.00 0.00 64.86 65.75 3kth h ILE 142 Cb 0.78 0.15 -0.06 0.00 -1.09 0.00 0.00 36.82 36.59 3kth h ILE 142 CO 0.17 0.08 0.42 -0.07 -1.08 0.00 0.00 178.15 177.67 3kth h LEU 143 N 0.44 0.63 -0.40 2.19 3.38 -1.37 0.30 115.31 120.48 3kth h LEU 143 Ca 0.44 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 3kth h LEU 143 Cb 0.70 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3kth h LEU 143 CO -0.43 0.40 0.08 -0.07 0.09 0.00 0.00 178.44 178.50 3kth h LEU 144 N 0.76 0.62 -0.44 1.67 3.38 -0.72 -0.62 115.31 119.96 3kth h LEU 144 Ca 0.34 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kth h LEU 144 Cb 0.22 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3kth h LEU 144 CO -0.20 0.71 0.13 -0.07 0.09 0.00 0.00 178.44 179.10 3kth h LEU 145 N 0.50 0.09 0.31 1.67 3.38 0.32 0.68 115.31 122.26 3kth h LEU 145 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kth h LEU 145 Cb 0.34 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kth h LEU 145 CO 0.01 0.08 -0.33 -0.09 0.09 0.00 0.00 178.44 178.20 3kth h ARG 146 N 0.28 -0.65 -0.47 1.13 2.43 -0.17 0.08 114.38 117.02 3kth h ARG 146 Ca 0.21 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3kth h ARG 146 Cb 0.24 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3kth h ARG 146 CO -0.25 -0.43 0.06 0.22 -1.51 0.00 0.00 179.97 178.06 3kth h ASP 147 N -0.67 -0.06 -0.01 -3.80 3.58 -0.28 0.44 116.42 115.61 3kth h ASP 147 Ca -0.01 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.56 3kth h ASP 147 Cb 0.62 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 3kth h ASP 147 CO -0.07 -0.00 -0.18 0.50 -2.88 0.00 0.00 179.24 176.60 3kth h LYS 148 N 0.19 -0.28 -0.17 0.28 3.64 0.74 -1.95 116.57 119.01 3kth h LYS 148 Ca 0.23 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kth h LYS 148 Cb 0.32 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3kth h LYS 148 CO -0.33 -0.19 0.11 -0.07 -2.27 0.00 0.00 179.45 176.70 3kth h LEU 149 N -0.29 0.20 -0.71 5.20 3.38 -0.43 -2.48 115.31 120.18 3kth h LEU 149 Ca 0.06 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3kth h LEU 149 Cb 0.37 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3kth h LEU 149 CO -0.18 0.17 0.25 0.78 0.09 0.00 0.00 178.44 179.55 3kth h ASN 150 N 0.21 0.21 -0.33 -0.43 2.35 -0.73 -0.29 115.58 116.55 3kth h ASN 150 Ca 0.06 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3kth h ASN 150 Cb 0.01 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3kth h ASN 150 CO -0.01 0.08 0.18 0.11 -1.65 0.00 0.00 177.43 176.14 3kth h LYS 151 N 0.40 0.36 -0.64 0.81 1.57 -1.05 -0.22 116.57 117.80 3kth h LYS 151 Ca 0.38 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.20 3kth h LYS 151 Cb 0.57 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3kth h LYS 151 CO -0.40 0.24 0.35 0.28 -0.57 0.00 0.00 179.45 179.35 3kth h VAL 152 N 0.37 0.96 -0.62 0.50 2.07 -0.71 -2.12 116.25 116.69 3kth h VAL 152 Ca 0.14 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kth h VAL 152 Cb 0.03 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3kth h VAL 152 CO -0.08 0.12 0.38 -0.07 0.02 0.00 0.00 177.57 177.94 3kth h LEU 153 N 0.65 0.74 -0.39 2.57 3.38 -0.45 -1.92 115.31 119.88 3kth h LEU 153 Ca 0.29 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3kth h LEU 153 Cb 0.19 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3kth h LEU 153 CO -0.18 0.57 -0.12 0.00 0.09 0.00 0.00 178.44 178.80 3kth h ALA 154 N 1.20 0.23 0.34 1.53 0.00 -0.40 0.24 119.26 122.41 3kth h ALA 154 Ca 0.22 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3kth h ALA 154 Cb -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kth h ALA 154 CO -0.04 -0.47 -0.25 0.93 0.00 0.00 0.00 179.25 179.41 3kth h GLU 155 N -0.03 -0.56 -0.75 0.00 5.08 -1.11 0.69 114.58 117.90 3kth h GLU 155 Ca 0.19 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3kth h GLU 155 Cb 0.32 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3kth h GLU 155 CO -0.42 -0.38 0.50 0.00 -1.00 0.00 0.00 179.01 177.71 3kth h ARG 156 N -0.58 0.95 0.08 2.33 2.47 -0.81 -3.26 114.38 115.56 3kth h ARG 156 Ca -0.03 -0.06 -0.32 0.00 -1.26 0.00 0.00 59.98 58.31 3kth h ARG 156 Cb 0.50 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 3kth h ARG 156 CO 0.01 0.63 -1.74 0.25 0.56 0.00 0.00 179.97 179.67 3kth n THR 157 N -4.44 1.70 0.00 2.04 -2.24 0.81 -4.82 114.28 107.34 3kth n THR 157 Ca 0.09 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3kth n THR 157 Cb 0.07 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 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 1.80 1.95 3.76 3.38 0.00 0.24 -4.56 105.19 111.75 3kth n GLY 158 Ca -0.32 0.00 -0.36 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 -0.46 3.02 0.42 1.61 -1.52 -1.23 -4.98 119.66 116.53 3kth s GLN 159 Ca 0.00 1.82 -0.23 0.00 -1.95 0.00 0.00 55.36 55.00 3kth s GLN 159 Cb 0.00 -1.95 -0.09 0.00 -0.22 0.00 0.00 33.01 30.75 3kth s GLN 159 CO 0.00 -1.17 1.01 -1.25 -0.25 0.00 0.00 175.29 173.64 3kth s PRO 160 N -3.30 4.12 0.25 2.91 0.04 -1.26 -4.52 135.00 133.24 3kth s PRO 160 Ca 0.77 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 3kth s PRO 160 Cb -0.30 -2.37 0.34 0.00 0.04 0.00 0.00 34.50 32.21 3kth s PRO 160 CO 0.33 -0.15 1.58 1.25 0.04 0.00 0.00 177.00 180.05 3kth h LEU 161 N 2.18 -0.87 -0.91 -3.56 5.85 -1.93 0.26 115.31 116.33 3kth h LEU 161 Ca -0.49 0.26 0.22 0.00 0.84 0.00 0.00 57.88 58.72 3kth h LEU 161 Cb 1.21 0.55 -0.17 0.00 0.37 0.00 0.00 40.66 42.62 3kth h LEU 161 CO 0.61 -0.28 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.06 3kth h GLU 162 N -0.01 0.04 0.39 1.25 4.39 -1.99 0.29 114.58 118.93 3kth h GLU 162 Ca 0.39 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 3kth h GLU 162 Cb 0.62 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3kth h GLU 162 CO -0.87 0.02 -0.19 0.28 -1.16 0.00 0.00 179.01 177.09 3kth h VAL 163 N 0.04 0.60 -0.86 3.13 2.07 -1.31 -2.40 116.25 117.51 3kth h VAL 163 Ca 0.51 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.86 3kth h VAL 163 Cb 0.96 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 3kth h VAL 163 CO -0.86 0.06 0.42 0.40 0.02 0.00 0.00 177.57 177.62 3kth h ILE 164 N -0.73 0.65 0.68 4.57 1.08 -0.93 0.24 117.51 123.08 3kth h ILE 164 Ca -0.05 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 3kth h ILE 164 Cb 0.51 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3kth h ILE 164 CO 0.09 0.10 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.92 3kth h GLU 165 N 0.56 -0.97 -0.38 2.37 5.08 -0.90 -1.86 114.58 118.49 3kth h GLU 165 Ca 0.49 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 3kth h GLU 165 Cb 0.77 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3kth h GLU 165 CO -0.41 -0.64 0.20 -0.09 -1.00 0.00 0.00 179.01 177.07 3kth h ARG 166 N -1.00 0.51 0.00 2.33 2.43 -1.01 -2.84 114.38 114.80 3kth h ARG 166 Ca -0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3kth h ARG 166 Cb 0.80 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3kth h ARG 166 CO 0.11 0.39 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.44 3kth h ASP 167 N 0.52 0.00 -0.35 -3.80 5.19 -0.41 -3.19 116.42 114.38 3kth h ASP 167 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3kth h ASP 167 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3kth h ASP 167 CO -0.02 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 176.52 3kth n THR 168 N -3.16 2.02 -0.31 0.35 -2.24 -0.71 -4.57 114.28 105.66 3kth n THR 168 Ca 0.01 -1.58 -0.01 0.00 -2.27 0.00 0.00 64.05 60.21 3kth n THR 168 Cb 0.41 -0.06 0.16 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 2.31 1.03 -5.04 3.42 -0.00 -1.53 -0.05 116.42 116.56 3kth h ASP 169 Ca 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.03 56.84 3kth h ASP 169 Cb 1.35 -0.26 -0.15 0.00 -0.00 0.00 0.00 39.33 40.27 3kth h ASP 169 CO 0.20 0.76 -0.69 -0.13 -0.00 0.00 0.00 179.24 179.39 3kth s ARG 170 N -5.97 0.65 -0.33 0.28 0.52 -1.26 -4.69 118.95 108.16 3kth s ARG 170 Ca -0.12 -1.21 -0.45 0.00 -0.52 0.00 0.00 55.73 53.44 3kth s ARG 170 Cb 0.18 0.08 -0.20 0.00 0.52 0.00 0.00 34.95 35.53 3kth s ARG 170 CO 0.81 -0.08 1.42 -0.25 0.02 0.00 0.00 175.30 177.22 3kth n ASP 171 N 0.19 0.80 -4.09 0.23 8.00 -1.26 -4.80 116.55 115.61 3kth n ASP 171 Ca -0.14 1.18 -0.33 0.00 0.71 0.00 0.00 54.79 56.21 3kth n ASP 171 Cb 0.60 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 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 1.97 4.55 -0.16 -2.24 3.04 -0.62 -5.02 114.94 116.46 3kth s ASN 172 Ca 1.00 -1.37 -0.12 0.00 0.04 0.00 0.00 52.86 52.41 3kth s ASN 172 Cb -1.42 -1.59 -0.05 0.00 -1.54 0.00 0.00 41.25 36.66 3kth s ASN 172 CO 0.73 -0.20 0.24 -0.36 -3.04 0.00 0.00 177.10 174.47 3kth s PHE 173 N 1.13 3.47 0.04 0.43 0.08 -1.26 -1.92 117.98 119.95 3kth s PHE 173 Ca -0.08 0.53 0.05 0.00 0.12 0.00 0.00 56.93 57.55 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 -0.04 0.31 -0.14 0.15 -0.10 0.00 0.00 175.22 175.40 3kth s LYS 174 N 0.24 0.93 0.78 0.44 1.02 0.17 -5.00 119.74 118.32 3kth s LYS 174 Ca 0.14 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.25 3kth s LYS 174 Cb -0.12 -0.94 0.10 0.00 -0.52 0.00 0.00 37.83 36.35 3kth s LYS 174 CO 0.03 0.23 1.11 -1.54 -0.92 0.00 0.00 175.35 174.26 3kth s SER 175 N -1.21 4.39 0.15 2.83 1.04 -1.26 -0.87 113.70 118.77 3kth s SER 175 Ca 0.01 0.46 -0.20 0.00 0.48 0.00 0.00 55.95 56.70 3kth s SER 175 Cb -0.08 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 65.15 3kth s SER 175 CO 0.01 -1.90 1.66 0.00 0.98 0.00 0.00 173.24 173.99 3kth h ALA 176 N -0.91 0.08 0.16 5.32 0.00 -1.78 0.48 119.26 122.61 3kth h ALA 176 Ca -0.44 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kth h ALA 176 Cb 1.30 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3kth h ALA 176 CO 0.57 -0.54 -0.08 0.93 0.00 0.00 0.00 179.25 180.13 3kth h GLU 177 N -0.11 -0.21 -0.69 0.00 3.07 -1.92 0.33 114.58 115.06 3kth h GLU 177 Ca 0.15 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.16 3kth h GLU 177 Cb 0.33 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 3kth h GLU 177 CO -0.35 -0.13 0.46 0.93 -1.40 0.00 0.00 179.01 178.52 3kth h GLU 178 N -0.23 0.36 -0.19 2.33 5.08 -1.79 0.33 114.58 120.47 3kth h GLU 178 Ca -0.02 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3kth h GLU 178 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kth h GLU 178 CO 0.04 0.24 -0.65 0.00 -1.00 0.00 0.00 179.01 177.63 3kth h ALA 179 N 1.67 0.50 -0.10 3.43 0.00 0.11 -1.61 119.26 123.25 3kth h ALA 179 Ca 0.33 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kth h ALA 179 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kth h ALA 179 CO -0.09 0.70 0.03 1.25 0.00 0.00 0.00 179.25 181.14 3kth h LEU 180 N 0.51 0.15 -1.03 0.00 5.85 0.28 -2.07 115.31 119.00 3kth h LEU 180 Ca -0.02 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3kth h LEU 180 Cb 1.24 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 3kth h LEU 180 CO 0.13 0.31 0.65 -0.33 -0.34 0.00 0.00 178.44 178.86 3kth h GLU 181 N -0.02 1.15 0.00 1.25 5.08 -0.46 -2.04 114.58 119.55 3kth h GLU 181 Ca 0.03 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3kth h GLU 181 Cb 0.22 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kth h GLU 181 CO -0.00 0.76 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.60 3kth h TYR 182 N 1.19 0.00 0.00 4.33 3.20 -1.15 -3.47 116.97 121.07 3kth h TYR 182 Ca 0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.29 3kth h TYR 182 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3kth h TYR 182 CO -0.00 0.25 0.00 0.41 -1.64 0.00 0.00 178.16 177.18 3kth n GLY 183 N 0.04 1.12 0.13 1.82 0.00 -0.77 -4.64 105.19 102.89 3kth n GLY 183 Ca -0.00 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 0.57 -9.81 0.99 3.38 -1.59 -3.35 115.31 105.51 3kth h LEU 184 Ca 0.00 -0.91 -0.59 0.00 0.09 0.00 0.00 57.88 56.46 3kth h LEU 184 Cb 0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.46 3kth h LEU 184 CO 0.00 1.62 -0.54 0.27 0.09 0.00 0.00 178.44 179.88 3kth s ILE 185 N -2.52 2.17 -0.14 1.22 -4.36 -1.22 -4.33 121.20 112.02 3kth s ILE 185 Ca -0.15 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.46 3kth s ILE 185 Cb 0.04 -2.99 -0.11 0.00 1.25 0.00 0.00 42.46 40.65 3kth s ILE 185 CO 0.85 0.00 -0.09 0.47 0.24 0.00 0.00 174.94 176.41 3kth n ASP 186 N -1.13 2.68 -3.75 4.36 8.00 0.13 -4.65 116.55 122.18 3kth n ASP 186 Ca -0.03 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3kth n ASP 186 Cb 0.66 0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.29 0.79 -0.40 -1.24 2.20 -1.22 -5.05 119.74 112.53 3kth s LYS 187 Ca -0.16 -0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 3kth s LYS 187 Cb 0.05 0.34 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 3kth s LYS 187 CO 0.37 -0.25 0.25 0.42 -0.36 0.00 0.00 175.35 175.78 3kth s ILE 188 N -2.31 4.51 0.81 5.43 1.01 -1.26 -2.69 121.20 126.71 3kth s ILE 188 Ca -0.07 -1.09 -0.12 0.00 0.00 0.00 0.00 60.65 59.37 3kth s ILE 188 Cb -0.02 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.91 3kth s ILE 188 CO -0.02 -0.38 1.17 -0.76 0.00 0.00 0.00 174.94 174.95 3kth s LEU 189 N 1.51 3.08 0.00 2.97 1.43 -0.88 -4.92 118.68 121.88 3kth s LEU 189 Ca 0.02 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3kth s LEU 189 Cb -0.21 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.44 3kth s LEU 189 CO 0.05 -2.60 0.00 0.35 0.23 0.00 0.00 176.35 174.38 3kth n THR 190 N -3.46 0.00 -3.60 5.49 -2.24 -1.26 -4.12 114.28 105.09 3kth n THR 190 Ca 0.12 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.91 3kth n THR 190 Cb 0.51 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.29 -0.03 -0.37 4.78 3.76 -1.26 -5.09 115.29 116.78 3kth s HIS 191 Ca 0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 3kth s HIS 191 Cb 0.00 0.52 0.15 0.00 1.11 0.00 0.00 32.58 34.35 3kth s HIS 191 CO 0.00 -0.11 0.24 -0.48 -0.85 0.00 0.00 174.74 173.54 3kth s LEU 192 N -2.63 1.22 0.00 0.89 -0.00 -1.26 -5.26 118.68 111.65 3kth s LEU 192 Ca 0.13 -2.40 0.30 0.00 -0.00 0.00 0.00 54.13 52.16 3kth s LEU 192 Cb 0.04 -0.46 1.52 0.00 -0.00 0.00 0.00 46.19 47.29 3kth s LEU 192 CO -0.05 -0.28 2.01 -0.62 -0.00 0.00 0.00 176.35 177.42