#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jts s LEU 15 N 0.00 3.70 0.33 2.23 2.01 0.08 -5.01 118.68 122.03 1jts s LEU 15 Ca 0.00 1.40 -0.28 0.00 0.01 0.00 0.00 54.13 55.26 1jts s LEU 15 Cb 0.00 -4.32 -0.09 0.00 0.01 0.00 0.00 46.19 41.79 1jts s LEU 15 CO 0.00 -0.51 1.18 -0.47 1.01 0.00 0.00 176.35 177.56 1jts s TYR 16 N -2.53 3.26 -0.27 0.29 6.14 -1.26 -4.57 117.35 118.42 1jts s TYR 16 Ca 0.56 1.57 -0.24 0.00 0.64 0.00 0.00 57.07 59.59 1jts s TYR 16 Cb -0.10 -3.43 0.07 0.00 0.42 0.00 0.00 41.96 38.92 1jts s TYR 16 CO 0.31 -1.17 0.72 -0.08 0.64 0.00 0.00 175.55 175.97 1jts s THR 17 N -1.24 0.00 -1.62 4.34 -1.32 -1.26 -4.99 115.64 109.55 1jts s THR 17 Ca 0.50 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.09 1jts s THR 17 Cb -0.34 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 69.88 1jts s THR 17 CO 0.44 0.00 1.19 0.54 -2.21 0.00 0.00 174.62 174.57 1jts n ARG 18 N 2.79 0.22 -1.76 7.08 1.74 -1.26 -4.61 116.66 120.86 1jts n ARG 18 Ca -0.14 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1jts n ARG 18 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1jts n ARG 18 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jts s ASN 19 N -2.38 5.54 0.00 0.55 3.84 -1.26 -4.83 114.94 116.39 1jts s ASN 19 Ca 0.12 1.58 0.00 0.00 0.21 0.00 0.00 52.86 54.78 1jts s ASN 19 Cb 0.07 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 1jts s ASN 19 CO 0.15 -1.94 1.59 -0.90 -2.79 0.00 0.00 177.10 173.21 1jts n ASP 20 N 11.50 4.26 -4.78 -4.21 5.75 -1.26 -4.86 116.55 122.95 1jts n ASP 20 Ca 0.28 -2.12 -0.38 0.00 -0.01 0.00 0.00 54.79 52.55 1jts n ASP 20 Cb 0.46 -0.90 -0.06 0.00 -1.03 0.00 0.00 41.12 39.59 1jts n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jts s VAL 21 N 0.40 4.99 0.24 2.12 1.01 -1.26 -5.01 120.40 122.90 1jts s VAL 21 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1jts s VAL 21 Cb 0.00 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.41 1jts s VAL 21 CO 0.00 0.47 1.08 -1.54 0.00 0.00 0.00 175.10 175.10 1jts n SER 22 N 2.52 1.32 -0.29 3.32 3.41 -1.26 -4.63 113.62 118.00 1jts n SER 22 Ca -0.10 1.16 0.19 0.00 -0.26 0.00 0.00 58.87 59.87 1jts n SER 22 Cb 0.52 -1.26 0.48 0.00 -0.26 0.00 0.00 64.21 63.68 1jts n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jts h ASP 23 N 2.62 0.49 0.33 4.04 5.19 -1.97 0.42 116.42 127.54 1jts h ASP 23 Ca -0.41 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 1jts h ASP 23 Cb 1.34 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1jts h ASP 23 CO 0.65 0.16 -0.16 -1.28 -3.12 0.00 0.00 179.24 175.49 1jts h SER 24 N 0.47 -0.37 -0.60 6.45 0.87 -2.00 -1.55 113.55 116.82 1jts h SER 24 Ca 0.53 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 61.20 1jts h SER 24 Cb 1.24 0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 63.18 1jts h SER 24 CO -0.25 -0.26 -0.38 -0.08 -0.53 0.00 0.00 176.83 175.33 1jts h GLU 25 N -0.46 -0.18 -0.20 2.24 4.57 -1.61 0.73 114.58 119.68 1jts h GLU 25 Ca -0.05 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1jts h GLU 25 Cb 0.34 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1jts h GLU 25 CO 0.07 -0.12 -0.32 0.87 -1.18 0.00 0.00 179.01 178.33 1jts h LYS 26 N -0.19 -0.25 -0.80 1.92 1.57 -0.22 0.28 116.57 118.89 1jts h LYS 26 Ca 0.21 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1jts h LYS 26 Cb 0.56 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1jts h LYS 26 CO -0.69 -0.16 0.42 0.87 -0.57 0.00 0.00 179.45 179.31 1jts h LYS 27 N -0.25 0.65 0.23 3.15 1.57 -0.75 0.13 116.57 121.29 1jts h LYS 27 Ca 0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1jts h LYS 27 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1jts h LYS 27 CO -0.32 0.43 -0.29 0.00 -0.57 0.00 0.00 179.45 178.70 1jts h ALA 28 N 1.49 -0.56 0.20 3.86 0.00 0.33 -2.35 119.26 122.24 1jts h ALA 28 Ca 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jts h ALA 28 Cb 0.48 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jts h ALA 28 CO -0.30 -0.85 -0.13 1.15 0.00 0.00 0.00 179.25 179.11 1jts h THR 29 N -0.57 0.72 -1.13 0.00 2.02 0.15 -2.25 112.91 111.85 1jts h THR 29 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.50 1jts h THR 29 Cb 0.55 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1jts h THR 29 CO -0.10 0.00 0.76 0.58 0.37 0.00 0.00 175.52 177.13 1jts h VAL 30 N -0.33 0.43 -0.03 3.16 2.07 -0.62 0.27 116.25 121.20 1jts h VAL 30 Ca -0.02 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1jts h VAL 30 Cb 0.28 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1jts h VAL 30 CO 0.01 0.04 -0.76 -0.33 0.02 0.00 0.00 177.57 176.55 1jts h GLU 31 N 0.22 0.57 -0.50 1.57 4.39 -0.97 -2.08 114.58 117.78 1jts h GLU 31 Ca 0.62 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1jts h GLU 31 Cb 1.92 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.70 1jts h GLU 31 CO -0.21 1.19 0.28 1.25 -1.16 0.00 0.00 179.01 180.36 1jts h LEU 32 N 0.18 0.62 0.34 1.33 5.85 -0.01 -2.52 115.31 121.11 1jts h LEU 32 Ca -0.09 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1jts h LEU 32 Cb 1.43 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jts h LEU 32 CO 0.15 0.52 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.54 1jts h LEU 33 N 0.67 -0.39 -1.96 2.25 3.38 -0.98 -2.85 115.31 115.43 1jts h LEU 33 Ca 0.18 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1jts h LEU 33 Cb 0.03 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1jts h LEU 33 CO -0.03 -0.06 0.42 0.78 0.09 0.00 0.00 178.44 179.65 1jts h ASN 34 N -0.76 0.00 0.66 -0.43 2.35 -1.36 0.12 115.58 116.16 1jts h ASN 34 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1jts h ASN 34 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1jts h ASN 34 CO 0.08 0.00 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.45 1jts h ARG 35 N 0.00 -0.85 -0.46 0.81 2.43 -1.22 -2.57 114.38 112.53 1jts h ARG 35 Ca 0.14 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1jts h ARG 35 Cb 0.98 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 1jts h ARG 35 CO -0.00 -0.55 0.13 1.96 -1.51 0.00 0.00 179.97 180.00 1jts h GLN 36 N -1.21 0.27 -0.30 0.20 1.08 -0.73 -1.84 115.11 112.59 1jts h GLN 36 Ca -0.09 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1jts h GLN 36 Cb 0.69 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.98 1jts h GLN 36 CO 0.15 0.18 -0.32 0.28 -0.95 0.00 0.00 178.83 178.17 1jts h VAL 37 N 0.28 0.26 -0.38 -0.54 2.07 -0.94 0.54 116.25 117.53 1jts h VAL 37 Ca 0.22 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.80 1jts h VAL 37 Cb 0.25 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1jts h VAL 37 CO -0.26 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.83 1jts h ILE 38 N -0.30 0.82 -0.45 4.57 2.04 -1.08 0.16 117.51 123.27 1jts h ILE 38 Ca 0.14 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1jts h ILE 38 Cb 0.53 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1jts h ILE 38 CO -0.47 0.04 0.28 -0.61 0.00 0.00 0.00 178.15 177.40 1jts h GLN 39 N 0.22 0.61 0.06 2.37 4.15 -0.44 -2.00 115.11 120.08 1jts h GLN 39 Ca 0.18 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1jts h GLN 39 Cb 0.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1jts h GLN 39 CO -0.23 0.44 -0.03 0.74 -1.93 0.00 0.00 178.83 177.82 1jts h PHE 40 N 0.61 -0.07 -0.88 3.99 -1.00 0.41 -0.77 116.94 119.23 1jts h PHE 40 Ca 0.16 -0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.14 1jts h PHE 40 Cb -0.03 0.02 -0.12 0.00 3.61 0.00 0.00 35.95 39.44 1jts h PHE 40 CO -0.03 0.32 0.40 0.82 -1.61 0.00 0.00 178.31 178.21 1jts h ILE 41 N -0.48 0.54 -0.19 -0.55 2.04 -0.62 0.23 117.51 118.49 1jts h ILE 41 Ca -0.01 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1jts h ILE 41 Cb 0.42 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1jts h ILE 41 CO 0.01 0.08 -0.31 -0.78 0.00 0.00 0.00 178.15 177.16 1jts h ASP 42 N 0.46 0.60 -0.96 1.72 3.58 -1.25 -2.05 116.42 118.51 1jts h ASP 42 Ca 0.53 -0.53 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1jts h ASP 42 Cb 0.95 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 1jts h ASP 42 CO -0.48 1.01 0.63 0.25 -2.88 0.00 0.00 179.24 177.77 1jts h LEU 43 N 0.22 1.04 -0.23 2.28 5.85 0.50 0.02 115.31 124.98 1jts h LEU 43 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1jts h LEU 43 Cb 0.89 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1jts h LEU 43 CO 0.07 0.71 0.07 0.77 -0.34 0.00 0.00 178.44 179.71 1jts h SER 44 N 1.20 0.34 -0.95 1.25 4.64 -0.54 -0.06 113.55 119.43 1jts h SER 44 Ca 0.39 -0.21 0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1jts h SER 44 Cb 0.03 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 1jts h SER 44 CO -0.12 0.46 0.61 -0.07 -0.87 0.00 0.00 176.83 176.84 1jts h LEU 45 N 0.20 0.96 -0.32 5.97 3.38 -0.74 -1.87 115.31 122.89 1jts h LEU 45 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jts h LEU 45 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jts h LEU 45 CO -0.00 0.61 0.07 0.40 0.09 0.00 0.00 178.44 179.61 1jts h ILE 46 N 1.09 1.23 -0.65 1.22 2.04 -0.62 -2.19 117.51 119.63 1jts h ILE 46 Ca 0.41 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1jts h ILE 46 Cb 0.19 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1jts h ILE 46 CO -0.16 0.26 0.32 0.74 0.00 0.00 0.00 178.15 179.31 1jts h THR 47 N 0.37 0.87 -0.72 -0.27 2.02 -0.24 0.80 112.91 115.74 1jts h THR 47 Ca 0.10 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1jts h THR 47 Cb 0.32 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1jts h THR 47 CO 0.00 0.10 0.23 0.11 0.37 0.00 0.00 175.52 176.34 1jts h LYS 48 N 0.57 1.12 -0.05 6.66 1.79 -1.26 0.55 116.57 125.95 1jts h LYS 48 Ca 0.31 -0.24 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1jts h LYS 48 Cb 0.30 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1jts h LYS 48 CO -0.24 0.96 -0.12 0.37 -1.08 0.00 0.00 179.45 179.34 1jts h GLN 49 N 1.07 -0.17 0.05 3.15 5.75 -0.45 0.12 115.11 124.63 1jts h GLN 49 Ca 0.23 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1jts h GLN 49 Cb 0.30 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1jts h GLN 49 CO -0.01 -0.11 -0.03 0.00 -2.65 0.00 0.00 178.83 176.03 1jts h ALA 50 N 0.83 -0.07 -0.65 3.38 0.00 -0.75 -2.75 119.26 119.25 1jts h ALA 50 Ca 0.06 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1jts h ALA 50 Cb 0.26 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 1jts h ALA 50 CO -0.15 -0.45 -0.17 1.25 0.00 0.00 0.00 179.25 179.73 1jts h HIS 51 N -0.26 -0.37 -0.56 0.00 -0.00 -0.61 -2.23 115.15 111.12 1jts h HIS 51 Ca -0.01 0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.31 1jts h HIS 51 Cb 0.23 0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1jts h HIS 51 CO -0.01 -0.29 -0.07 -1.49 -0.00 0.00 0.00 177.93 176.07 1jts h TRP 52 N -0.01 1.15 -0.60 5.26 6.55 -0.70 -3.33 115.95 124.28 1jts h TRP 52 Ca 0.31 -0.23 -0.09 0.00 0.95 0.00 0.00 58.89 59.84 1jts h TRP 52 Cb 0.48 -0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 28.44 1jts h TRP 52 CO -0.54 1.05 0.10 0.09 -1.05 0.00 0.00 178.44 178.09 1jts n ASN 53 N -4.17 5.12 -4.94 -3.49 3.02 -0.89 -4.98 115.26 104.94 1jts n ASN 53 Ca 0.02 -3.08 -0.25 0.00 -0.03 0.00 0.00 54.58 51.24 1jts n ASN 53 Cb 0.38 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1jts n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jts s MET 54 N -2.88 3.51 0.08 3.52 0.23 -0.92 -4.62 119.30 118.21 1jts s MET 54 Ca 0.53 -0.33 -0.19 0.00 -1.03 0.00 0.00 55.69 54.67 1jts s MET 54 Cb 0.42 -2.73 0.04 0.00 -1.53 0.00 0.00 34.83 31.03 1jts s MET 54 CO 0.14 0.26 0.46 1.03 -2.03 0.00 0.00 175.02 174.87 1jts s ARG 55 N -3.90 1.02 0.00 3.16 0.52 -0.95 -4.96 118.95 113.85 1jts s ARG 55 Ca 0.39 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1jts s ARG 55 Cb -0.10 0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1jts s ARG 55 CO 0.32 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1jts n GLY 56 N 0.20 -0.02 3.72 -3.53 0.00 -1.26 -1.02 105.19 103.28 1jts n GLY 56 Ca -0.18 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 1jts n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jts n ALA 57 N -0.86 1.72 -2.66 4.61 0.00 -1.26 -2.13 120.51 119.93 1jts n ALA 57 Ca 0.00 0.36 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 1jts n ALA 57 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1jts n ALA 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jts n ASN 58 N 1.02 -5.23 0.53 0.00 5.15 -1.26 -4.83 115.26 110.63 1jts n ASN 58 Ca 0.05 -0.06 -0.21 0.00 -0.60 0.00 0.00 54.58 53.76 1jts n ASN 58 Cb 0.36 -4.34 -0.10 0.00 -0.53 0.00 0.00 39.78 35.18 1jts n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jts h PHE 59 N -0.43 -1.27 -0.39 1.20 3.04 -1.79 -3.03 116.94 114.27 1jts h PHE 59 Ca -0.45 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.54 1jts h PHE 59 Cb 1.32 0.42 -0.05 0.00 2.56 0.00 0.00 35.95 40.20 1jts h PHE 59 CO 0.60 -0.78 0.06 0.97 -2.02 0.00 0.00 178.31 177.14 1jts h ILE 60 N -1.35 0.78 -0.46 1.41 6.09 -1.91 0.59 117.51 122.65 1jts h ILE 60 Ca -0.14 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1jts h ILE 60 Cb 1.04 0.58 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 1jts h ILE 60 CO 0.22 0.03 0.29 0.00 -3.07 0.00 0.00 178.15 175.62 1jts h ALA 61 N 1.30 0.59 -0.32 0.18 0.00 -1.99 -0.46 119.26 118.57 1jts h ALA 61 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1jts h ALA 61 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jts h ALA 61 CO -0.26 0.06 -0.19 0.28 0.00 0.00 0.00 179.25 179.14 1jts h VAL 62 N 0.62 1.29 -0.70 0.00 2.07 -1.34 0.26 116.25 118.46 1jts h VAL 62 Ca 0.17 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.47 1jts h VAL 62 Cb -0.03 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1jts h VAL 62 CO -0.03 0.43 0.33 -0.74 0.02 0.00 0.00 177.57 177.57 1jts h HIS 63 N 0.45 0.59 0.04 1.57 6.17 0.47 0.78 115.15 125.21 1jts h HIS 63 Ca 0.07 0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.03 1jts h HIS 63 Cb 0.74 -0.16 0.01 0.00 2.52 0.00 0.00 27.41 30.52 1jts h HIS 63 CO 0.06 0.19 -0.60 0.93 0.71 0.00 0.00 177.93 179.23 1jts h GLU 64 N 0.56 0.34 -0.67 5.26 5.08 -0.97 -3.19 114.58 120.99 1jts h GLU 64 Ca 0.35 -0.42 0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1jts h GLU 64 Cb 0.40 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 1jts h GLU 64 CO -0.29 1.11 0.08 1.98 -1.00 0.00 0.00 179.01 180.90 1jts h MET 65 N -0.24 0.19 -0.58 2.33 4.05 -0.05 -0.72 114.93 119.90 1jts h MET 65 Ca -0.09 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1jts h MET 65 Cb 1.35 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.05 1jts h MET 65 CO 0.12 0.12 0.25 -0.07 0.23 0.00 0.00 176.91 177.56 1jts h LEU 66 N 0.19 0.30 -1.25 3.39 4.07 -0.91 -1.49 115.31 119.61 1jts h LEU 66 Ca 0.36 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.47 1jts h LEU 66 Cb 0.60 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.29 1jts h LEU 66 CO -0.51 0.19 0.55 -0.78 -1.08 0.00 0.00 178.44 176.81 1jts h ASP 67 N 0.46 0.75 -0.17 -0.43 1.82 -1.12 -1.53 116.42 116.21 1jts h ASP 67 Ca 0.28 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1jts h ASP 67 Cb 0.29 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1jts h ASP 67 CO -0.25 0.45 0.11 1.23 -1.61 0.00 0.00 179.24 179.18 1jts h GLY 68 N 0.84 0.24 0.38 -0.78 0.00 -0.95 -2.66 103.07 100.13 1jts h GLY 68 Ca 0.39 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1jts h GLY 68 CO -0.16 0.09 -0.14 0.74 0.00 0.00 0.00 176.54 177.07 1jts h PHE 69 N 0.23 -0.34 -0.66 5.60 0.04 -1.07 -2.15 116.94 118.59 1jts h PHE 69 Ca 0.06 0.03 0.14 0.00 2.80 0.00 0.00 57.97 61.00 1jts h PHE 69 Cb -0.03 0.18 -0.12 0.00 2.20 0.00 0.00 35.95 38.19 1jts h PHE 69 CO -0.07 -0.20 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.25 1jts h ARG 70 N -0.13 0.04 -0.66 1.51 2.43 -1.09 0.28 114.38 116.76 1jts h ARG 70 Ca 0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jts h ARG 70 Cb 0.31 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1jts h ARG 70 CO -0.30 0.03 0.43 1.15 -1.51 0.00 0.00 179.97 179.77 1jts h THR 71 N 0.04 1.15 -0.27 0.20 2.02 -1.08 -0.60 112.91 114.37 1jts h THR 71 Ca 0.33 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1jts h THR 71 Cb 0.53 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1jts h THR 71 CO -0.63 0.16 0.03 0.00 0.37 0.00 0.00 175.52 175.45 1jts h ALA 72 N 1.25 0.37 -0.00 6.16 0.00 -0.38 -2.35 119.26 124.31 1jts h ALA 72 Ca 0.25 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jts h ALA 72 Cb -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1jts h ALA 72 CO -0.07 0.07 -0.52 -0.07 0.00 0.00 0.00 179.25 178.66 1jts h LEU 73 N 0.27 -1.59 -1.06 0.00 4.07 -0.15 0.05 115.31 116.89 1jts h LEU 73 Ca 0.08 0.18 0.22 0.00 0.08 0.00 0.00 57.88 58.44 1jts h LEU 73 Cb 0.36 0.60 -0.11 0.00 1.08 0.00 0.00 40.66 42.59 1jts h LEU 73 CO 0.01 -0.50 0.61 0.40 -1.08 0.00 0.00 178.44 177.88 1jts h ILE 74 N -0.65 0.63 0.71 1.22 2.04 -1.07 0.15 117.51 120.55 1jts h ILE 74 Ca 0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1jts h ILE 74 Cb 0.69 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1jts h ILE 74 CO -0.34 0.12 -0.34 0.00 0.00 0.00 0.00 178.15 177.58 1jts h HIS 76 N -1.10 -0.32 -0.55 0.00 3.86 -0.35 -0.75 115.15 115.94 1jts h HIS 76 Ca -0.10 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1jts h HIS 76 Cb 0.76 0.17 -0.10 0.00 1.06 0.00 0.00 27.41 29.30 1jts h HIS 76 CO -0.01 -0.20 -0.41 1.25 0.86 0.00 0.00 177.93 179.42 1jts h LEU 77 N -0.12 -1.42 -1.50 2.43 6.46 -0.70 0.72 115.31 121.19 1jts h LEU 77 Ca 0.12 0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1jts h LEU 77 Cb 0.30 0.65 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1jts h LEU 77 CO -0.29 -0.34 -0.14 0.00 -0.62 0.00 0.00 178.44 177.05 1jts h ALA 78 N 0.65 1.59 -0.56 1.25 0.00 -0.72 -1.18 119.26 120.30 1jts h ALA 78 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1jts h ALA 78 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jts h ALA 78 CO -0.67 0.30 0.01 1.15 0.00 0.00 0.00 179.25 180.05 1jts h THR 79 N 0.14 1.26 -0.05 0.00 2.02 0.58 -1.00 112.91 115.86 1jts h THR 79 Ca 0.03 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1jts h THR 79 Cb 0.34 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1jts h THR 79 CO 0.02 0.39 -0.07 0.24 0.37 0.00 0.00 175.52 176.48 1jts h MET 80 N 0.88 0.13 -0.96 6.66 2.86 -0.55 -1.80 114.93 122.15 1jts h MET 80 Ca 0.16 -0.07 0.15 0.00 -2.06 0.00 0.00 59.70 57.88 1jts h MET 80 Cb 0.50 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.07 1jts h MET 80 CO 0.02 0.62 0.57 0.00 1.06 0.00 0.00 176.91 179.18 1jts h ALA 81 N 0.51 1.51 -0.43 6.32 0.00 -1.09 -1.03 119.26 125.04 1jts h ALA 81 Ca 0.01 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1jts h ALA 81 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jts h ALA 81 CO 0.02 0.04 -0.12 0.93 0.00 0.00 0.00 179.25 180.11 1jts h GLU 82 N 0.81 0.84 -0.73 0.00 5.08 -1.08 -2.32 114.58 117.17 1jts h GLU 82 Ca 0.52 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1jts h GLU 82 Cb 0.69 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1jts h GLU 82 CO -0.34 0.96 0.48 -0.09 -1.00 0.00 0.00 179.01 179.03 1jts h ARG 83 N 0.67 0.93 0.28 2.33 9.65 -0.33 -0.18 114.38 127.74 1jts h ARG 83 Ca 0.11 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1jts h ARG 83 Cb 0.66 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1jts h ARG 83 CO 0.05 0.62 -0.20 0.00 2.80 0.00 0.00 179.97 183.24 1jts h ALA 84 N 1.28 -0.46 -0.21 2.80 0.00 -1.17 -2.29 119.26 119.22 1jts h ALA 84 Ca 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jts h ALA 84 Cb -0.07 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jts h ALA 84 CO -0.08 -0.77 0.14 0.28 0.00 0.00 0.00 179.25 178.82 1jts h VAL 85 N -0.47 1.04 0.00 0.00 2.07 -0.98 -0.81 116.25 117.10 1jts h VAL 85 Ca -0.02 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1jts h VAL 85 Cb 0.40 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1jts h VAL 85 CO 0.01 0.05 -0.40 1.56 0.02 0.00 0.00 177.57 178.81 1jts h GLN 86 N 0.27 0.00 -0.18 1.57 4.20 -0.68 -2.30 115.11 117.98 1jts h GLN 86 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1jts h GLN 86 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1jts h GLN 86 CO -0.02 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.82 1jts n LEU 87 N -3.91 1.28 0.00 1.46 4.77 -0.38 -4.88 117.00 115.34 1jts n LEU 87 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1jts n LEU 87 Cb 0.45 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1jts n LEU 87 CO 0.38 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1jts n GLY 88 N 0.98 0.66 0.00 -0.72 0.00 -0.87 -4.79 105.19 100.45 1jts n GLY 88 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jts n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jts n GLY 89 N -2.00 -1.08 2.92 -0.02 0.00 -0.77 -0.74 105.19 103.50 1jts n GLY 89 Ca 0.00 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1jts n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jts s VAL 90 N -0.77 0.99 0.03 1.61 1.01 -1.26 -4.43 120.40 117.58 1jts s VAL 90 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1jts s VAL 90 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1jts s VAL 90 CO 0.00 0.36 1.19 0.00 0.00 0.00 0.00 175.10 176.65 1jts s ALA 91 N 1.54 3.41 -0.29 5.51 0.00 -1.26 -4.95 121.76 125.71 1jts s ALA 91 Ca 0.02 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1jts s ALA 91 Cb -0.13 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1jts s ALA 91 CO -0.06 -0.51 0.06 -0.51 0.00 0.00 0.00 175.76 174.73 1jts s LEU 92 N 1.37 3.77 0.00 0.00 1.43 -1.26 -4.92 118.68 119.06 1jts s LEU 92 Ca 0.58 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1jts s LEU 92 Cb -0.28 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.23 1jts s LEU 92 CO 0.27 -0.19 0.98 0.61 0.23 0.00 0.00 176.35 178.25 1jts n GLY 93 N 4.83 0.74 3.86 -3.19 0.00 -1.26 -4.45 105.19 105.72 1jts n GLY 93 Ca -0.15 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1jts n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jts s THR 94 N 0.00 4.58 0.15 2.61 -4.23 -1.26 -4.88 115.64 112.61 1jts s THR 94 Ca 0.11 0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 61.30 1jts s THR 94 Cb 0.12 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 70.22 1jts s THR 94 CO -0.05 -1.07 1.70 0.74 -0.54 0.00 0.00 174.62 175.39 1jts h THR 95 N -0.31 0.73 -0.32 3.99 2.02 -1.99 -1.16 112.91 115.87 1jts h THR 95 Ca -0.44 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1jts h THR 95 Cb 1.19 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1jts h THR 95 CO 0.61 0.01 -0.05 0.06 0.37 0.00 0.00 175.52 176.52 1jts h GLN 96 N 0.06 0.03 -0.81 6.66 -0.00 -1.99 0.63 115.11 119.70 1jts h GLN 96 Ca 0.15 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.81 1jts h GLN 96 Cb 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 27.65 1jts h GLN 96 CO -0.28 0.02 0.53 0.28 -0.00 0.00 0.00 178.83 179.38 1jts h VAL 97 N 0.04 1.21 0.34 1.86 2.07 -1.84 -2.56 116.25 117.37 1jts h VAL 97 Ca 0.15 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1jts h VAL 97 Cb 0.22 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1jts h VAL 97 CO -0.30 0.20 -0.16 0.40 0.02 0.00 0.00 177.57 177.73 1jts h ILE 98 N 1.09 0.67 -0.62 4.57 1.08 -0.28 -2.06 117.51 121.96 1jts h ILE 98 Ca 0.30 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.34 1jts h ILE 98 Cb -0.13 0.91 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 1jts h ILE 98 CO -0.06 0.09 -0.39 -1.13 -0.69 0.00 0.00 178.15 175.97 1jts h ASN 99 N -0.73 -1.41 0.00 1.72 -0.00 0.42 -0.10 115.58 115.47 1jts h ASN 99 Ca -0.05 0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 1jts h ASN 99 Cb 0.50 0.62 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 1jts h ASN 99 CO 0.08 -0.16 0.00 -1.54 -0.00 0.00 0.00 177.43 175.80 1jts n SER 100 N -4.49 0.00 0.00 1.15 3.41 -0.98 -3.98 113.62 108.73 1jts n SER 100 Ca 0.01 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1jts n SER 100 Cb 0.18 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1jts n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jts n LYS 101 N -1.06 0.00 -2.90 4.33 5.02 -0.77 -4.80 118.16 117.98 1jts n LYS 101 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1jts n LYS 101 Cb 0.00 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 1jts n LYS 101 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jts s THR 102 N -1.61 4.31 -1.35 -0.18 -1.32 -0.05 -4.92 115.64 110.52 1jts s THR 102 Ca 0.00 1.84 0.15 0.00 -1.21 0.00 0.00 61.69 62.47 1jts s THR 102 Cb 0.00 -4.21 0.56 0.00 -1.51 0.00 0.00 72.50 67.35 1jts s THR 102 CO 0.00 0.50 1.45 -0.81 -2.21 0.00 0.00 174.62 173.54 1jts n PRO 103 N 1.70 3.05 -4.55 7.08 -0.04 -1.26 -4.92 135.00 136.05 1jts n PRO 103 Ca -0.04 -2.24 -0.33 0.00 -0.04 0.00 0.00 63.50 60.85 1jts n PRO 103 Cb 0.48 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 1jts n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jts s LEU 104 N -1.47 3.09 0.68 1.53 1.43 -1.26 -5.06 118.68 117.62 1jts s LEU 104 Ca 0.40 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1jts s LEU 104 Cb 0.25 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1jts s LEU 104 CO 0.21 0.21 0.96 1.17 0.23 0.00 0.00 176.35 179.13 1jts n LYS 105 N 3.24 0.66 -1.89 1.70 4.81 -1.26 -4.88 118.16 120.54 1jts n LYS 105 Ca -0.18 0.27 -0.41 0.00 -0.87 0.00 0.00 58.31 57.13 1jts n LYS 105 Cb 0.53 -2.20 -0.00 0.00 0.02 0.00 0.00 35.03 33.37 1jts n LYS 105 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jts s SER 106 N -1.49 6.35 0.13 3.14 0.15 -1.26 -4.95 113.70 115.78 1jts s SER 106 Ca 0.75 2.91 -0.28 0.00 0.70 0.00 0.00 55.95 60.03 1jts s SER 106 Cb -0.37 -2.66 -0.07 0.00 -1.71 0.00 0.00 66.02 61.21 1jts s SER 106 CO 0.49 -0.85 0.89 -0.47 1.20 0.00 0.00 173.24 174.50 1jts s TYR 107 N -1.15 3.85 -0.45 3.44 6.14 -1.26 -4.96 117.35 122.96 1jts s TYR 107 Ca 0.54 1.74 -0.30 0.00 0.64 0.00 0.00 57.07 59.68 1jts s TYR 107 Cb -0.44 -2.95 -0.10 0.00 0.42 0.00 0.00 41.96 38.89 1jts s TYR 107 CO 0.58 0.32 2.33 -2.30 0.64 0.00 0.00 175.55 177.13 1jts n PRO 108 N 2.34 1.11 -0.00 4.97 -0.02 -1.26 -4.85 135.00 137.28 1jts n PRO 108 Ca -0.01 0.21 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1jts n PRO 108 Cb 0.49 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1jts n PRO 108 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jts n LEU 109 N 12.21 2.13 0.00 2.45 4.32 -1.26 -3.87 117.00 132.98 1jts n LEU 109 Ca 0.41 -1.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1jts n LEU 109 Cb 0.35 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1jts n LEU 109 CO 0.75 0.39 0.02 -0.90 -1.22 0.00 0.00 177.39 176.43 1jts n ASP 110 N 0.28 0.00 -4.83 -1.43 5.68 -1.26 -5.11 116.55 109.88 1jts n ASP 110 Ca 0.00 -1.00 -0.33 0.00 -0.50 0.00 0.00 54.79 52.96 1jts n ASP 110 Cb 0.39 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 1jts n ASP 110 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1jts s ILE 111 N 0.00 4.53 0.00 2.12 -4.36 -1.25 -5.02 121.20 117.22 1jts s ILE 111 Ca 0.00 1.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.62 1jts s ILE 111 Cb 0.00 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.09 1jts s ILE 111 CO 0.00 -0.23 0.00 1.41 0.24 0.00 0.00 174.94 176.36 1jts n HIS 112 N -0.46 0.00 -1.47 1.37 8.25 -1.26 -4.88 115.22 116.77 1jts n HIS 112 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 1jts n HIS 112 Cb 0.53 0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.72 1jts n HIS 112 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jts n ASN 113 N -2.14 -0.24 0.00 0.41 2.85 -1.26 -2.25 115.26 112.63 1jts n ASN 113 Ca 0.00 0.72 -0.12 0.00 -0.11 0.00 0.00 54.58 55.07 1jts n ASN 113 Cb 0.29 -1.29 -0.07 0.00 1.24 0.00 0.00 39.78 39.95 1jts n ASN 113 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1jts h VAL 114 N 0.13 1.14 -0.42 3.44 2.07 -1.40 -2.85 116.25 118.37 1jts h VAL 114 Ca -0.47 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1jts h VAL 114 Cb 1.37 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1jts h VAL 114 CO 0.47 0.12 0.28 1.56 0.02 0.00 0.00 177.57 180.02 1jts h GLN 115 N -0.09 0.31 0.49 1.57 1.08 -1.88 -0.39 115.11 116.20 1jts h GLN 115 Ca 0.02 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1jts h GLN 115 Cb 0.17 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1jts h GLN 115 CO -0.00 0.20 -0.24 -0.44 -0.95 0.00 0.00 178.83 177.40 1jts h ASP 116 N 0.31 -0.56 -0.80 1.46 3.45 -1.86 -2.66 116.42 115.76 1jts h ASP 116 Ca 0.18 -0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.69 1jts h ASP 116 Cb 0.32 0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 39.17 1jts h ASP 116 CO -0.04 -0.30 0.45 0.45 -1.57 0.00 0.00 179.24 178.23 1jts h HIS 117 N -0.81 0.82 -0.28 4.55 3.86 -1.26 -0.90 115.15 121.13 1jts h HIS 117 Ca -0.07 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1jts h HIS 117 Cb 0.57 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 1jts h HIS 117 CO -0.01 0.34 -0.06 -0.07 0.86 0.00 0.00 177.93 178.99 1jts h LEU 118 N 0.77 -0.25 -0.26 2.43 4.07 -1.02 0.45 115.31 121.50 1jts h LEU 118 Ca 0.38 0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.44 1jts h LEU 118 Cb 0.33 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1jts h LEU 118 CO -0.24 -0.09 0.11 0.11 -1.08 0.00 0.00 178.44 177.26 1jts h LYS 119 N 0.01 0.24 -0.43 1.13 1.57 -0.98 0.86 116.57 118.97 1jts h LYS 119 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1jts h LYS 119 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1jts h LYS 119 CO -0.28 0.16 0.27 0.93 -0.57 0.00 0.00 179.45 179.96 1jts h GLU 120 N 0.25 0.57 -0.13 3.15 4.39 -0.60 -2.33 114.58 119.87 1jts h GLU 120 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1jts h GLU 120 Cb 0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1jts h GLU 120 CO -0.09 0.40 0.04 -0.07 -1.16 0.00 0.00 179.01 178.13 1jts h LEU 121 N 0.57 0.19 -0.83 1.33 3.38 0.34 -2.82 115.31 117.47 1jts h LEU 121 Ca 0.15 -0.20 0.21 0.00 0.09 0.00 0.00 57.88 58.13 1jts h LEU 121 Cb -0.04 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.53 1jts h LEU 121 CO -0.03 0.34 0.20 0.00 0.09 0.00 0.00 178.44 179.04 1jts h ALA 122 N 0.86 1.14 0.84 1.53 0.00 0.99 0.23 119.26 124.85 1jts h ALA 122 Ca 0.04 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1jts h ALA 122 Cb 0.22 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jts h ALA 122 CO -0.00 -0.42 -0.40 -0.44 0.00 0.00 0.00 179.25 177.99 1jts h ASP 123 N 0.22 -0.95 -1.00 0.00 3.45 -1.25 0.42 116.42 117.31 1jts h ASP 123 Ca 0.50 0.03 0.11 0.00 0.43 0.00 0.00 57.03 58.11 1jts h ASP 123 Cb 0.96 0.25 -0.08 0.00 -0.56 0.00 0.00 39.33 39.89 1jts h ASP 123 CO -0.62 -0.63 0.63 0.03 -1.57 0.00 0.00 179.24 177.09 1jts h ARG 124 N -1.23 0.99 -0.43 3.56 2.47 -1.14 0.19 114.38 118.79 1jts h ARG 124 Ca -0.11 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 1jts h ARG 124 Cb 0.86 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1jts h ARG 124 CO 0.19 0.66 0.07 1.88 0.56 0.00 0.00 179.97 183.33 1jts h TYR 125 N 1.02 0.75 -0.64 3.04 -1.99 -0.52 -2.28 116.97 116.35 1jts h TYR 125 Ca 0.49 -0.10 0.07 0.00 2.00 0.00 0.00 58.73 61.18 1jts h TYR 125 Cb 0.44 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 1jts h TYR 125 CO -0.00 0.72 0.33 0.00 -0.00 0.00 0.00 178.16 179.21 1jts h ALA 126 N 0.94 0.86 0.36 3.88 0.00 0.87 1.10 119.26 127.26 1jts h ALA 126 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jts h ALA 126 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jts h ALA 126 CO 0.01 -0.02 -0.33 0.82 0.00 0.00 0.00 179.25 179.72 1jts h ILE 127 N 0.60 0.32 -0.55 0.00 5.03 -0.76 0.49 117.51 122.65 1jts h ILE 127 Ca 0.30 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 65.01 1jts h ILE 127 Cb 0.24 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.32 1jts h ILE 127 CO -0.21 0.00 0.22 0.58 -0.68 0.00 0.00 178.15 178.05 1jts h VAL 128 N -0.70 1.22 0.30 1.67 2.07 -0.89 -1.05 116.25 118.86 1jts h VAL 128 Ca -0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1jts h VAL 128 Cb 0.63 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jts h VAL 128 CO -0.05 0.26 -0.18 0.00 0.02 0.00 0.00 177.57 177.62 1jts h ALA 129 N 1.06 -0.46 -0.75 1.67 0.00 0.14 -1.49 119.26 119.44 1jts h ALA 129 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jts h ALA 129 Cb 0.20 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jts h ALA 129 CO -0.01 -0.77 0.38 -0.91 0.00 0.00 0.00 179.25 177.94 1jts h ASN 130 N -0.47 0.97 0.35 0.00 2.35 -0.85 -1.61 115.58 116.33 1jts h ASN 130 Ca -0.03 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1jts h ASN 130 Cb 0.39 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1jts h ASN 130 CO 0.03 0.82 -0.17 -0.78 -1.65 0.00 0.00 177.43 175.68 1jts h ASP 131 N 1.05 -0.40 0.05 5.81 -0.00 -1.09 -2.68 116.42 119.16 1jts h ASP 131 Ca 0.26 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.03 57.17 1jts h ASP 131 Cb 0.09 0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.52 1jts h ASP 131 CO -0.04 -0.15 -0.09 1.62 -0.00 0.00 0.00 179.24 180.59 1jts h VAL 132 N -0.64 1.11 -0.37 2.25 3.04 -1.26 -0.25 116.25 120.13 1jts h VAL 132 Ca -0.05 -0.49 -0.06 0.00 -1.01 0.00 0.00 66.70 65.10 1jts h VAL 132 Cb 0.46 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 1jts h VAL 132 CO 0.08 0.15 -0.02 -0.09 -1.01 0.00 0.00 177.57 176.68 1jts h ARG 133 N 0.11 0.59 -0.03 4.17 2.43 -1.15 -2.75 114.38 117.74 1jts h ARG 133 Ca 0.02 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1jts h ARG 133 Cb 0.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1jts h ARG 133 CO 0.01 0.63 -0.15 0.87 -1.51 0.00 0.00 179.97 179.82 1jts h LYS 134 N 0.56 0.16 -1.04 0.20 1.57 -0.93 -3.21 116.57 113.88 1jts h LYS 134 Ca 0.12 -0.13 0.30 0.00 -1.87 0.00 0.00 60.65 59.07 1jts h LYS 134 Cb 0.38 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1jts h LYS 134 CO 0.01 0.78 0.90 0.00 -0.57 0.00 0.00 179.45 180.57 1jts h ALA 135 N 0.39 2.92 -0.72 3.86 0.00 -0.80 0.25 119.26 125.15 1jts h ALA 135 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1jts h ALA 135 Cb 0.80 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1jts h ALA 135 CO 0.03 -1.44 0.43 0.82 0.00 0.00 0.00 179.25 179.10 1jts h ILE 136 N 0.00 1.03 -0.02 0.00 2.04 -1.51 -1.71 117.51 117.34 1jts h ILE 136 Ca 0.50 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1jts h ILE 136 Cb 2.29 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1jts h ILE 136 CO -0.01 0.15 -0.02 1.23 0.00 0.00 0.00 178.15 179.50 1jts h GLY 137 N 0.82 0.06 0.55 5.37 0.00 -0.68 -3.10 103.07 106.08 1jts h GLY 137 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1jts h GLY 137 CO -0.15 0.06 0.00 -1.84 0.00 0.00 0.00 176.54 174.60 1jts n GLU 138 N -4.80 0.62 -3.19 4.80 0.28 -1.11 -4.61 120.64 112.63 1jts n GLU 138 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.50 1jts n GLU 138 Cb 0.27 -1.28 -0.07 0.00 1.43 0.00 0.00 31.44 31.79 1jts n GLU 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jts s ALA 139 N -2.00 3.46 0.06 -1.84 0.00 -0.66 -4.94 121.76 115.84 1jts s ALA 139 Ca 0.16 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1jts s ALA 139 Cb 0.08 -3.09 -0.26 0.00 0.00 0.00 0.00 23.12 19.85 1jts s ALA 139 CO 0.13 -1.31 1.06 0.87 0.00 0.00 0.00 175.76 176.50 1jts h LYS 140 N 8.50 0.18 -6.29 0.00 6.56 -1.88 -3.44 116.57 120.20 1jts h LYS 140 Ca -0.27 -0.31 -0.57 0.00 -1.06 0.00 0.00 60.65 58.44 1jts h LYS 140 Cb 1.12 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1jts h LYS 140 CO 0.80 1.09 1.05 0.34 -2.06 0.00 0.00 179.45 180.67 1jts s ASP 141 N -6.92 6.55 0.18 0.86 3.68 -1.26 -4.91 116.67 114.85 1jts s ASP 141 Ca -0.04 1.53 -0.21 0.00 2.13 0.00 0.00 52.55 55.96 1jts s ASP 141 Cb 0.08 -2.54 0.11 0.00 -1.45 0.00 0.00 42.92 39.12 1jts s ASP 141 CO 0.86 -1.13 1.60 0.44 0.13 0.00 0.00 175.17 177.06 1jts h ASP 142 N 9.92 -1.06 -0.22 -0.34 3.32 -2.00 0.12 116.42 126.16 1jts h ASP 142 Ca -0.31 0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1jts h ASP 142 Cb 1.13 0.53 -0.05 0.00 0.22 0.00 0.00 39.33 41.16 1jts h ASP 142 CO 1.01 -0.30 -0.11 0.44 -1.72 0.00 0.00 179.24 178.56 1jts h ASP 143 N -0.18 -0.36 -0.38 6.45 3.45 -1.98 -0.65 116.42 122.76 1jts h ASP 143 Ca 0.22 0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.77 1jts h ASP 143 Cb 0.53 0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.49 1jts h ASP 143 CO -0.62 -0.14 0.25 0.74 -1.57 0.00 0.00 179.24 177.90 1jts h THR 144 N -0.09 1.09 -0.34 0.35 2.02 -1.67 -0.45 112.91 113.82 1jts h THR 144 Ca 0.12 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1jts h THR 144 Cb 0.26 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1jts h THR 144 CO -0.27 0.09 -0.02 0.00 0.37 0.00 0.00 175.52 175.69 1jts h ALA 145 N 1.76 0.46 -0.39 6.16 0.00 0.29 -2.22 119.26 125.33 1jts h ALA 145 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jts h ALA 145 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jts h ALA 145 CO -0.03 0.24 0.25 0.22 0.00 0.00 0.00 179.25 179.92 1jts h ASP 146 N 0.41 0.42 -0.65 0.00 1.82 -0.19 -0.05 116.42 118.18 1jts h ASP 146 Ca 0.09 -0.01 0.10 0.00 -0.39 0.00 0.00 57.03 56.83 1jts h ASP 146 Cb 0.48 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.31 1jts h ASP 146 CO 0.02 0.31 0.27 0.40 -1.61 0.00 0.00 179.24 178.63 1jts h ILE 147 N 0.51 0.78 -0.18 2.25 2.04 -0.98 -1.40 117.51 120.54 1jts h ILE 147 Ca 0.15 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 1jts h ILE 147 Cb -0.04 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1jts h ILE 147 CO -0.04 0.09 -0.40 -0.07 0.00 0.00 0.00 178.15 177.73 1jts h LEU 148 N 0.47 0.42 -0.56 1.44 3.38 -0.76 -2.45 115.31 117.26 1jts h LEU 148 Ca 0.33 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1jts h LEU 148 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jts h LEU 148 CO -0.30 0.78 0.17 0.74 0.09 0.00 0.00 178.44 179.91 1jts h THR 149 N 0.33 1.24 -0.34 0.22 2.02 -0.01 0.24 112.91 116.61 1jts h THR 149 Ca 0.03 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1jts h THR 149 Cb 0.85 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1jts h THR 149 CO 0.07 0.30 0.21 0.00 0.37 0.00 0.00 175.52 176.48 1jts h ALA 150 N 1.03 0.44 -0.28 6.16 0.00 -1.18 0.94 119.26 126.37 1jts h ALA 150 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jts h ALA 150 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jts h ALA 150 CO -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.22 1jts h ALA 151 N 1.10 0.37 -0.20 0.00 0.00 -1.20 -2.78 119.26 116.55 1jts h ALA 151 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jts h ALA 151 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jts h ALA 151 CO -0.02 0.04 0.04 1.03 0.00 0.00 0.00 179.25 180.34 1jts h SER 152 N 0.28 0.02 -0.87 0.00 0.87 -0.30 0.59 113.55 114.14 1jts h SER 152 Ca 0.09 0.03 0.20 0.00 -1.23 0.00 0.00 61.79 60.87 1jts h SER 152 Cb 0.32 0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.20 1jts h SER 152 CO 0.00 0.04 0.39 -0.09 -0.53 0.00 0.00 176.83 176.65 1jts h ARG 153 N 0.12 0.44 0.03 2.24 2.43 -0.72 0.17 114.38 119.10 1jts h ARG 153 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1jts h ARG 153 Cb 0.08 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1jts h ARG 153 CO -0.12 0.29 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.18 1jts h ASP 154 N 0.46 -0.04 -0.81 -3.80 3.45 -1.07 -2.76 116.42 111.85 1jts h ASP 154 Ca 0.52 -0.55 0.16 0.00 0.43 0.00 0.00 57.03 57.59 1jts h ASP 154 Cb 0.93 0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 39.61 1jts h ASP 154 CO -0.48 0.55 0.36 -0.07 -1.57 0.00 0.00 179.24 178.03 1jts h LEU 155 N -0.64 0.36 -0.84 1.55 -0.00 0.12 0.20 115.31 116.06 1jts h LEU 155 Ca -0.00 0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 57.95 1jts h LEU 155 Cb 0.59 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.28 1jts h LEU 155 CO 0.01 0.12 0.37 0.44 -0.00 0.00 0.00 178.44 179.37 1jts h ASP 156 N 0.49 1.11 -0.14 -0.43 3.45 -0.71 0.20 116.42 120.39 1jts h ASP 156 Ca 0.45 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 1jts h ASP 156 Cb 0.71 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1jts h ASP 156 CO -0.41 0.95 0.04 0.50 -1.57 0.00 0.00 179.24 178.75 1jts h LYS 157 N 1.19 0.22 -0.09 3.56 3.64 -0.58 -1.46 116.57 123.06 1jts h LYS 157 Ca 0.28 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1jts h LYS 157 Cb 0.16 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1jts h LYS 157 CO -0.03 0.36 -0.07 0.74 -2.27 0.00 0.00 179.45 178.18 1jts h PHE 158 N 0.04 -0.17 -0.45 1.91 0.05 -0.40 0.12 116.94 118.05 1jts h PHE 158 Ca 0.05 0.01 0.08 0.00 3.82 0.00 0.00 57.97 61.93 1jts h PHE 158 Cb 0.23 0.09 -0.07 0.00 2.00 0.00 0.00 35.95 38.20 1jts h PHE 158 CO 0.00 -0.11 0.01 1.25 -0.18 0.00 0.00 178.31 179.28 1jts h LEU 159 N -0.08 -0.17 -0.58 1.54 5.85 -0.88 0.36 115.31 121.35 1jts h LEU 159 Ca 0.06 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1jts h LEU 159 Cb 0.17 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1jts h LEU 159 CO -0.14 -0.05 0.27 -0.25 -0.34 0.00 0.00 178.44 177.93 1jts h TRP 160 N 0.12 0.48 -0.39 1.25 7.01 -0.55 0.68 115.95 124.56 1jts h TRP 160 Ca 0.23 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.21 1jts h TRP 160 Cb 0.33 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1jts h TRP 160 CO -0.29 0.19 0.09 0.74 -2.79 0.00 0.00 178.44 176.39 1jts h PHE 161 N 0.49 0.66 -0.01 2.65 -1.00 0.13 0.98 116.94 120.85 1jts h PHE 161 Ca 0.27 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1jts h PHE 161 Cb 0.25 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1jts h PHE 161 CO -0.12 0.64 0.00 0.82 -1.61 0.00 0.00 178.31 178.04 1jts h ILE 162 N 0.49 0.99 -0.29 -0.55 2.04 0.10 -2.96 117.51 117.33 1jts h ILE 162 Ca 0.12 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1jts h ILE 162 Cb 0.32 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1jts h ILE 162 CO 0.00 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 178.00 1jts h GLU 163 N 0.00 0.39 0.00 2.37 5.08 -0.74 -2.61 114.58 119.08 1jts h GLU 163 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jts h GLU 163 Cb 0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1jts h GLU 163 CO -0.01 0.28 0.07 0.77 -1.00 0.00 0.00 179.01 179.12 1jts h SER 164 N 0.38 0.00 0.78 1.42 0.02 -0.69 0.34 113.55 115.79 1jts h SER 164 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jts h SER 164 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1jts h SER 164 CO -0.02 0.00 -0.59 0.59 -1.14 0.00 0.00 176.83 175.67 1jts n ASN 165 N -2.98 0.63 -4.65 3.07 3.02 -0.98 -4.78 115.26 108.57 1jts n ASN 165 Ca -0.03 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 1jts n ASN 165 Cb 0.14 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1jts n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jts s ILE 166 N -3.12 4.52 -2.07 2.41 1.01 0.11 -5.03 121.20 119.02 1jts s ILE 166 Ca 0.08 1.82 0.31 0.00 0.00 0.00 0.00 60.65 62.86 1jts s ILE 166 Cb 0.15 -4.24 0.86 0.00 0.01 0.00 0.00 42.46 39.23 1jts s ILE 166 CO 0.71 -0.24 2.16 -1.84 0.00 0.00 0.00 174.94 175.74