#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 4.32 0.37 2.23 2.01 0.02 -5.03 118.68 122.59 1jts s LEU 15 Ca 0.00 0.50 -0.26 0.00 0.01 0.00 0.00 54.13 54.38 1jts s LEU 15 Cb 0.00 -3.08 -0.09 0.00 0.01 0.00 0.00 46.19 43.04 1jts s LEU 15 CO 0.00 0.13 1.14 -0.47 1.01 0.00 0.00 176.35 178.16 1jts s TYR 16 N -1.54 3.20 -0.25 0.29 6.14 -1.26 -4.60 117.35 119.33 1jts s TYR 16 Ca 0.36 1.59 -0.26 0.00 0.64 0.00 0.00 57.07 59.41 1jts s TYR 16 Cb -0.13 -3.34 0.09 0.00 0.42 0.00 0.00 41.96 39.01 1jts s TYR 16 CO 0.24 -1.07 0.84 -0.08 0.64 0.00 0.00 175.55 176.12 1jts s THR 17 N -1.40 0.00 -1.12 4.34 -1.32 -1.26 -4.98 115.64 109.91 1jts s THR 17 Ca 0.54 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.13 1jts s THR 17 Cb -0.30 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.81 1jts s THR 17 CO 0.38 0.00 1.31 0.54 -2.21 0.00 0.00 174.62 174.64 1jts n ARG 18 N 2.31 0.04 -1.58 7.08 1.74 -1.26 -4.61 116.66 120.38 1jts n ARG 18 Ca -0.14 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1jts n ARG 18 Cb 0.56 -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 -1.71 -1.52 0.00 0.00 177.63 174.40 1jts n ASN 19 N -1.44 3.05 -1.47 0.55 2.85 -1.26 -4.82 115.26 112.72 1jts n ASN 19 Ca 0.03 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1jts n ASN 19 Cb 0.11 -1.54 0.00 0.00 1.24 0.00 0.00 39.78 39.60 1jts n ASN 19 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1jts n ASP 20 N 12.10 3.55 -4.77 1.20 5.75 -1.26 -4.86 116.55 128.25 1jts n ASP 20 Ca 0.32 -1.91 -0.39 0.00 -0.01 0.00 0.00 54.79 52.80 1jts n ASP 20 Cb 0.44 -0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.44 4.93 0.15 2.12 1.01 -1.26 -4.99 120.40 122.80 1jts s VAL 21 Ca 0.00 1.18 -0.34 0.00 0.00 0.00 0.00 61.98 62.82 1jts s VAL 21 Cb 0.00 -3.90 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1jts s VAL 21 CO 0.00 0.43 1.23 -1.54 0.00 0.00 0.00 175.10 175.22 1jts n SER 22 N 2.66 1.48 -0.05 3.32 3.41 -1.26 -4.63 113.62 118.55 1jts n SER 22 Ca -0.08 1.13 0.25 0.00 -0.26 0.00 0.00 58.87 59.91 1jts n SER 22 Cb 0.51 -1.21 0.70 0.00 -0.26 0.00 0.00 64.21 63.95 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 3.78 0.00 0.35 4.04 5.19 -1.96 0.62 116.42 128.43 1jts h ASP 23 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 1jts h ASP 23 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1jts h ASP 23 CO 0.73 0.00 -0.17 -1.28 -3.12 0.00 0.00 179.24 175.40 1jts h SER 24 N 0.00 -0.39 -0.77 6.45 0.87 -1.99 0.10 113.55 117.82 1jts h SER 24 Ca 0.32 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1jts h SER 24 Cb 1.60 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 1jts h SER 24 CO -0.00 0.06 0.49 -0.08 -0.53 0.00 0.00 176.83 176.77 1jts h GLU 25 N -0.99 0.94 0.22 2.24 4.57 -1.33 0.78 114.58 121.01 1jts h GLU 25 Ca -0.05 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1jts h GLU 25 Cb 0.51 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1jts h GLU 25 CO 0.08 0.62 -0.31 0.87 -1.18 0.00 0.00 179.01 179.09 1jts h LYS 26 N 0.97 -0.53 -0.73 1.92 1.57 0.16 0.21 116.57 120.15 1jts h LYS 26 Ca 0.31 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.23 1jts h LYS 26 Cb -0.00 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1jts h LYS 26 CO -0.11 -0.35 0.35 0.87 -0.57 0.00 0.00 179.45 179.64 1jts h LYS 27 N -0.55 0.56 0.21 3.15 1.57 -0.60 0.10 116.57 121.01 1jts h LYS 27 Ca -0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1jts h LYS 27 Cb 0.50 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1jts h LYS 27 CO -0.09 0.37 -0.32 0.00 -0.57 0.00 0.00 179.45 178.84 1jts h ALA 28 N 1.46 -0.61 -0.20 3.86 0.00 -0.43 -2.42 119.26 120.93 1jts h ALA 28 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1jts h ALA 28 Cb 0.44 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1jts h ALA 28 CO -0.30 -0.89 0.11 1.15 0.00 0.00 0.00 179.25 179.32 1jts h THR 29 N -0.60 1.02 -0.90 0.00 2.02 -0.02 -2.16 112.91 112.28 1jts h THR 29 Ca 0.01 -0.08 0.21 0.00 0.77 0.00 0.00 66.41 67.32 1jts h THR 29 Cb 0.59 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1jts h THR 29 CO -0.13 0.04 0.60 0.58 0.37 0.00 0.00 175.52 176.98 1jts h VAL 30 N 0.24 0.66 -0.04 3.16 2.07 -0.84 0.13 116.25 121.63 1jts h VAL 30 Ca 0.08 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 1jts h VAL 30 Cb -0.00 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1jts h VAL 30 CO -0.04 0.06 -0.72 -0.33 0.02 0.00 0.00 177.57 176.57 1jts h GLU 31 N 0.35 0.56 -0.50 1.57 4.39 -0.94 -2.26 114.58 117.76 1jts h GLU 31 Ca 0.46 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1jts h GLU 31 Cb 1.24 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1jts h GLU 31 CO -0.16 1.17 0.30 1.25 -1.16 0.00 0.00 179.01 180.42 1jts h LEU 32 N 0.16 0.60 0.26 1.33 5.85 -0.37 -2.39 115.31 120.73 1jts h LEU 32 Ca -0.08 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jts h LEU 32 Cb 1.39 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1jts h LEU 32 CO 0.14 0.48 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.53 1jts h LEU 33 N 0.67 -0.29 -1.99 2.25 3.38 -0.89 -2.92 115.31 115.52 1jts h LEU 33 Ca 0.18 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.15 1jts h LEU 33 Cb -0.01 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1jts h LEU 33 CO -0.03 0.05 0.52 0.78 0.09 0.00 0.00 178.44 179.84 1jts h ASN 34 N -0.65 0.00 0.90 -0.43 2.35 -1.39 0.15 115.58 116.51 1jts h ASN 34 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1jts h ASN 34 Cb 0.46 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1jts h ASN 34 CO 0.06 0.00 -0.43 -0.09 -1.65 0.00 0.00 177.43 175.32 1jts h ARG 35 N 0.00 -1.16 -0.39 0.81 2.43 -1.24 -2.04 114.38 112.79 1jts h ARG 35 Ca 0.32 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 1jts h ARG 35 Cb 1.35 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 31.11 1jts h ARG 35 CO -0.00 -0.77 0.08 1.96 -1.51 0.00 0.00 179.97 179.72 1jts h GLN 36 N -1.32 0.20 -0.48 0.20 1.08 -0.89 -2.04 115.11 111.86 1jts h GLN 36 Ca -0.12 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1jts h GLN 36 Cb 0.93 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 28.21 1jts h GLN 36 CO 0.20 0.13 -0.26 0.28 -0.95 0.00 0.00 178.83 178.24 1jts h VAL 37 N 0.21 0.29 -0.21 -0.54 2.07 -0.73 0.56 116.25 117.91 1jts h VAL 37 Ca 0.19 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 1jts h VAL 37 Cb 0.22 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1jts h VAL 37 CO -0.24 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.65 1jts h ILE 38 N -0.15 0.69 -0.62 4.57 2.04 -0.91 0.18 117.51 123.31 1jts h ILE 38 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1jts h ILE 38 Cb 0.50 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1jts h ILE 38 CO -0.58 0.00 0.41 -0.61 0.00 0.00 0.00 178.15 177.37 1jts h GLN 39 N -0.07 0.82 0.02 2.37 4.15 -0.47 -1.85 115.11 120.08 1jts h GLN 39 Ca 0.11 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1jts h GLN 39 Cb 0.24 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1jts h GLN 39 CO -0.25 0.55 -0.01 0.74 -1.93 0.00 0.00 178.83 177.92 1jts h PHE 40 N 0.84 -0.03 -0.95 3.99 -1.00 0.44 -1.24 116.94 118.98 1jts h PHE 40 Ca 0.23 -0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.21 1jts h PHE 40 Cb -0.09 0.01 -0.11 0.00 3.61 0.00 0.00 35.95 39.37 1jts h PHE 40 CO -0.03 0.44 0.53 0.82 -1.61 0.00 0.00 178.31 178.46 1jts h ILE 41 N -0.52 0.62 -0.20 -0.55 2.04 -0.58 0.22 117.51 118.54 1jts h ILE 41 Ca -0.00 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 1jts h ILE 41 Cb 0.49 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1jts h ILE 41 CO 0.01 0.11 -0.45 -0.78 0.00 0.00 0.00 178.15 177.03 1jts h ASP 42 N 0.61 0.75 -0.73 1.72 3.58 -1.27 -2.21 116.42 118.87 1jts h ASP 42 Ca 0.57 -0.56 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1jts h ASP 42 Cb 0.98 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1jts h ASP 42 CO -0.44 1.17 0.48 0.25 -2.88 0.00 0.00 179.24 177.83 1jts h LEU 43 N 0.35 0.82 -0.17 2.28 5.85 0.21 0.22 115.31 124.88 1jts h LEU 43 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1jts h LEU 43 Cb 1.06 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1jts h LEU 43 CO 0.10 0.59 -0.06 0.77 -0.34 0.00 0.00 178.44 179.50 1jts h SER 44 N 0.96 0.34 -0.98 1.25 4.64 -0.57 -0.88 113.55 118.31 1jts h SER 44 Ca 0.27 -0.39 0.10 0.00 -0.47 0.00 0.00 61.79 61.31 1jts h SER 44 Cb -0.07 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 61.85 1jts h SER 44 CO -0.07 0.65 0.62 -0.07 -0.87 0.00 0.00 176.83 177.09 1jts h LEU 45 N 0.03 0.93 -0.32 5.97 3.38 -0.71 -1.74 115.31 122.85 1jts h LEU 45 Ca 0.04 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1jts h LEU 45 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1jts h LEU 45 CO 0.02 0.54 0.00 0.40 0.09 0.00 0.00 178.44 179.49 1jts h ILE 46 N 1.03 1.26 -0.78 1.22 2.04 -0.80 -2.33 117.51 119.14 1jts h ILE 46 Ca 0.46 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1jts h ILE 46 Cb 0.36 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1jts h ILE 46 CO -0.23 0.31 0.45 0.74 0.00 0.00 0.00 178.15 179.41 1jts h THR 47 N 0.36 0.94 -0.42 -0.27 2.02 -0.30 0.48 112.91 115.72 1jts h THR 47 Ca 0.09 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1jts h THR 47 Cb 0.43 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1jts h THR 47 CO 0.02 0.14 -0.11 0.11 0.37 0.00 0.00 175.52 176.05 1jts h LYS 48 N 0.78 0.74 0.55 6.66 1.79 -1.28 0.53 116.57 126.33 1jts h LYS 48 Ca 0.37 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1jts h LYS 48 Cb 0.29 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1jts h LYS 48 CO -0.22 0.82 -0.33 0.37 -1.08 0.00 0.00 179.45 179.01 1jts h GLN 49 N 0.67 -0.80 0.00 3.15 5.75 -0.44 0.25 115.11 123.69 1jts h GLN 49 Ca 0.12 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1jts h GLN 49 Cb 0.57 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1jts h GLN 49 CO 0.04 -0.53 -0.08 0.00 -2.65 0.00 0.00 178.83 175.60 1jts h ALA 50 N -0.43 -0.09 -0.68 3.38 0.00 -0.89 -2.68 119.26 117.87 1jts h ALA 50 Ca -0.07 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1jts h ALA 50 Cb 0.67 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1jts h ALA 50 CO 0.07 -0.57 -0.17 1.25 0.00 0.00 0.00 179.25 179.82 1jts h HIS 51 N -0.14 -0.37 -0.51 0.00 -0.00 -0.70 -2.37 115.15 111.07 1jts h HIS 51 Ca 0.03 0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.34 1jts h HIS 51 Cb 0.18 0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1jts h HIS 51 CO -0.14 -0.29 -0.16 -1.49 -0.00 0.00 0.00 177.93 175.84 1jts h TRP 52 N -0.00 1.14 -0.55 5.26 6.55 -0.75 -3.33 115.95 124.27 1jts h TRP 52 Ca 0.33 -0.26 -0.04 0.00 0.95 0.00 0.00 58.89 59.87 1jts h TRP 52 Cb 0.50 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.50 1jts h TRP 52 CO -0.55 1.08 0.05 0.09 -1.05 0.00 0.00 178.44 178.06 1jts n ASN 53 N -4.14 5.25 -4.94 -3.49 3.02 -0.93 -4.98 115.26 105.05 1jts n ASN 53 Ca 0.01 -3.01 -0.24 0.00 -0.03 0.00 0.00 54.58 51.30 1jts n ASN 53 Cb 0.43 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.83 3.48 0.07 3.52 0.23 -0.96 -4.51 119.30 118.29 1jts s MET 54 Ca 0.53 -0.26 -0.23 0.00 -1.03 0.00 0.00 55.69 54.70 1jts s MET 54 Cb 0.41 -2.61 0.06 0.00 -1.53 0.00 0.00 34.83 31.15 1jts s MET 54 CO 0.14 0.08 0.55 1.03 -2.03 0.00 0.00 175.02 174.78 1jts s ARG 55 N -4.39 1.11 0.00 3.16 0.52 -1.13 -4.93 118.95 113.29 1jts s ARG 55 Ca 0.41 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 1jts s ARG 55 Cb -0.10 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.88 1jts s ARG 55 CO 0.37 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1jts n GLY 56 N 0.19 0.16 3.73 -3.53 0.00 -1.26 -0.57 105.19 103.92 1jts n GLY 56 Ca -0.18 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 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 -0.88 2.18 -2.90 4.61 0.00 -1.26 -2.33 120.51 119.92 1jts n ALA 57 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.60 1jts n ALA 57 Cb 0.00 -2.41 0.02 0.00 0.00 0.00 0.00 19.45 17.06 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 1.81 -5.53 0.25 0.00 5.15 -1.26 -4.82 115.26 110.86 1jts n ASN 58 Ca 0.08 -0.21 -0.10 0.00 -0.60 0.00 0.00 54.58 53.75 1jts n ASN 58 Cb 0.36 -4.52 -0.05 0.00 -0.53 0.00 0.00 39.78 35.05 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 -0.93 -0.58 -0.51 1.20 3.04 -1.83 -3.04 116.94 114.29 1jts h PHE 59 Ca -0.49 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.55 1jts h PHE 59 Cb 1.34 0.19 -0.10 0.00 2.56 0.00 0.00 35.95 39.94 1jts h PHE 59 CO 0.57 -0.36 -0.20 0.97 -2.02 0.00 0.00 178.31 177.27 1jts h ILE 60 N -0.66 0.37 -0.28 1.41 6.09 -1.92 0.59 117.51 123.12 1jts h ILE 60 Ca -0.06 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1jts h ILE 60 Cb 0.48 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.12 1jts h ILE 60 CO 0.11 0.00 0.14 0.00 -3.07 0.00 0.00 178.15 175.32 1jts h ALA 61 N 1.31 0.34 -0.41 0.18 0.00 -1.99 -0.52 119.26 118.17 1jts h ALA 61 Ca 0.24 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1jts h ALA 61 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jts h ALA 61 CO -0.56 -0.25 -0.12 0.28 0.00 0.00 0.00 179.25 178.59 1jts h VAL 62 N 0.29 1.28 -0.16 0.00 2.07 -1.30 0.14 116.25 118.56 1jts h VAL 62 Ca 0.12 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.46 1jts h VAL 62 Cb 0.04 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1jts h VAL 62 CO -0.08 0.41 -0.23 -0.74 0.02 0.00 0.00 177.57 176.95 1jts h HIS 63 N 0.62 -0.60 -0.40 1.57 6.17 0.51 0.48 115.15 123.50 1jts h HIS 63 Ca 0.10 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 61.06 1jts h HIS 63 Cb 0.66 0.29 -0.01 0.00 2.52 0.00 0.00 27.41 30.87 1jts h HIS 63 CO 0.05 -0.31 -0.36 0.93 0.71 0.00 0.00 177.93 178.96 1jts h GLU 64 N -0.27 0.96 -0.50 5.26 5.08 -1.04 -3.07 114.58 121.00 1jts h GLU 64 Ca 0.11 -0.49 0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1jts h GLU 64 Cb 0.44 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1jts h GLU 64 CO -0.32 1.15 0.01 1.98 -1.00 0.00 0.00 179.01 180.83 1jts h MET 65 N 0.79 0.13 -0.60 2.33 4.05 -0.05 -1.11 114.93 120.47 1jts h MET 65 Ca 0.07 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1jts h MET 65 Cb 0.95 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.66 1jts h MET 65 CO 0.09 0.08 0.27 -0.07 0.23 0.00 0.00 176.91 177.52 1jts h LEU 66 N 0.13 0.35 -1.33 3.39 4.07 -0.84 -1.14 115.31 119.93 1jts h LEU 66 Ca 0.25 0.05 0.12 0.00 0.08 0.00 0.00 57.88 58.38 1jts h LEU 66 Cb 0.38 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 1jts h LEU 66 CO -0.41 0.22 0.54 -0.78 -1.08 0.00 0.00 178.44 176.94 1jts h ASP 67 N 0.50 0.65 0.06 -0.43 1.82 -1.12 -1.11 116.42 116.78 1jts h ASP 67 Ca 0.28 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1jts h ASP 67 Cb 0.27 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1jts h ASP 67 CO -0.23 0.36 -0.03 1.23 -1.61 0.00 0.00 179.24 178.96 1jts h GLY 68 N 0.71 -0.08 0.34 -0.78 0.00 -0.87 -2.61 103.07 99.78 1jts h GLY 68 Ca 0.40 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1jts h GLY 68 CO -0.16 -0.03 -0.09 0.74 0.00 0.00 0.00 176.54 177.00 1jts h PHE 69 N -0.09 -0.20 -0.63 5.60 0.04 -1.02 -2.28 116.94 118.35 1jts h PHE 69 Ca -0.01 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.91 1jts h PHE 69 Cb 0.07 0.14 -0.12 0.00 2.20 0.00 0.00 35.95 38.24 1jts h PHE 69 CO -0.07 -0.15 -0.25 -0.09 -0.60 0.00 0.00 178.31 177.14 1jts h ARG 70 N -0.02 -0.08 -0.81 1.51 2.43 -0.90 0.23 114.38 116.73 1jts h ARG 70 Ca 0.15 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1jts h ARG 70 Cb 0.25 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1jts h ARG 70 CO -0.33 -0.06 0.50 1.15 -1.51 0.00 0.00 179.97 179.72 1jts h THR 71 N -0.09 1.06 -0.40 0.20 2.02 -1.07 -0.87 112.91 113.76 1jts h THR 71 Ca 0.28 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 1jts h THR 71 Cb 0.53 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1jts h THR 71 CO -0.69 0.17 -0.22 0.00 0.37 0.00 0.00 175.52 175.15 1jts h ALA 72 N 1.38 0.57 0.43 6.16 0.00 -0.41 -2.64 119.26 124.74 1jts h ALA 72 Ca 0.35 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jts h ALA 72 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1jts h ALA 72 CO -0.16 0.55 -0.51 -0.07 0.00 0.00 0.00 179.25 179.06 1jts h LEU 73 N 0.67 -1.41 -0.97 0.00 4.07 -0.16 -1.24 115.31 116.26 1jts h LEU 73 Ca 0.09 0.12 0.23 0.00 0.08 0.00 0.00 57.88 58.40 1jts h LEU 73 Cb 0.79 0.48 -0.12 0.00 1.08 0.00 0.00 40.66 42.88 1jts h LEU 73 CO 0.06 -0.64 0.53 0.40 -1.08 0.00 0.00 178.44 177.71 1jts h ILE 74 N -0.95 0.53 0.43 1.22 2.04 -1.17 0.24 117.51 119.85 1jts h ILE 74 Ca -0.05 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1jts h ILE 74 Cb 0.84 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1jts h ILE 74 CO -0.11 0.10 -0.21 0.00 0.00 0.00 0.00 178.15 177.94 1jts h HIS 76 N -0.75 0.08 -0.43 0.00 3.86 -0.35 -0.74 115.15 116.83 1jts h HIS 76 Ca -0.06 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.25 1jts h HIS 76 Cb 0.53 -0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 1jts h HIS 76 CO -0.01 0.03 -0.35 1.25 0.86 0.00 0.00 177.93 179.71 1jts h LEU 77 N 0.13 -1.16 -1.38 2.43 6.46 -0.50 0.32 115.31 121.62 1jts h LEU 77 Ca 0.10 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1jts h LEU 77 Cb 0.09 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1jts h LEU 77 CO -0.12 -0.33 0.39 0.00 -0.62 0.00 0.00 178.44 177.76 1jts h ALA 78 N 0.74 1.55 -0.52 1.25 0.00 -0.28 -1.25 119.26 120.75 1jts h ALA 78 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1jts h ALA 78 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jts h ALA 78 CO -0.57 0.41 0.11 1.15 0.00 0.00 0.00 179.25 180.36 1jts h THR 79 N 0.82 1.25 -0.20 0.00 2.02 0.50 -1.11 112.91 116.18 1jts h THR 79 Ca 0.22 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1jts h THR 79 Cb -0.07 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1jts h THR 79 CO -0.05 0.32 0.03 0.24 0.37 0.00 0.00 175.52 176.43 1jts h MET 80 N 0.73 0.34 -0.60 6.66 2.86 -0.49 -0.66 114.93 123.77 1jts h MET 80 Ca 0.16 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1jts h MET 80 Cb 0.36 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 1jts h MET 80 CO 0.00 0.50 0.21 0.00 1.06 0.00 0.00 176.91 178.69 1jts h ALA 81 N 0.82 0.76 -0.53 6.32 0.00 -1.10 -0.89 119.26 124.64 1jts h ALA 81 Ca 0.06 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1jts h ALA 81 Cb 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1jts h ALA 81 CO 0.01 -0.21 0.07 0.93 0.00 0.00 0.00 179.25 180.05 1jts h GLU 82 N 0.39 0.85 -0.42 0.00 5.08 -0.97 -2.01 114.58 117.50 1jts h GLU 82 Ca 0.30 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1jts h GLU 82 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1jts h GLU 82 CO -0.31 0.81 0.18 -0.09 -1.00 0.00 0.00 179.01 178.60 1jts h ARG 83 N 0.81 0.61 -0.13 2.33 9.65 0.16 -1.23 114.38 126.58 1jts h ARG 83 Ca 0.17 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1jts h ARG 83 Cb 0.39 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1jts h ARG 83 CO 0.01 0.56 -0.03 0.00 2.80 0.00 0.00 179.97 183.31 1jts h ALA 84 N 1.02 0.09 -0.29 2.80 0.00 -0.97 -2.33 119.26 119.59 1jts h ALA 84 Ca 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jts h ALA 84 Cb 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jts h ALA 84 CO -0.01 -0.48 0.08 0.28 0.00 0.00 0.00 179.25 179.11 1jts h VAL 85 N 0.00 1.14 0.00 0.00 2.07 -1.15 -1.45 116.25 116.86 1jts h VAL 85 Ca 0.06 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1jts h VAL 85 Cb 0.09 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1jts h VAL 85 CO -0.13 0.17 -0.36 1.56 0.02 0.00 0.00 177.57 178.82 1jts h GLN 86 N 0.40 0.00 -0.10 1.57 4.20 -0.73 -2.02 115.11 118.44 1jts h GLN 86 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1jts h GLN 86 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1jts h GLN 86 CO -0.00 0.36 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 1jts n LEU 87 N -4.00 1.01 0.00 1.46 4.77 -0.67 -4.88 117.00 114.70 1jts n LEU 87 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1jts n LEU 87 Cb 0.41 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1jts n LEU 87 CO 0.38 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1jts n GLY 88 N 1.00 0.56 0.00 -0.72 0.00 -0.76 -4.81 105.19 100.45 1jts n GLY 88 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.59 2.97 -0.02 0.00 -0.64 -0.80 105.19 104.11 1jts n GLY 89 Ca 0.00 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.42 1.18 0.04 1.61 1.01 -1.26 -4.41 120.40 118.15 1jts s VAL 90 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1jts s VAL 90 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1jts s VAL 90 CO 0.00 0.38 1.10 0.00 0.00 0.00 0.00 175.10 176.58 1jts s ALA 91 N 1.33 3.29 -0.32 5.51 0.00 -1.26 -4.95 121.76 125.36 1jts s ALA 91 Ca -0.01 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.59 1jts s ALA 91 Cb -0.14 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1jts s ALA 91 CO -0.05 -0.34 0.09 -0.51 0.00 0.00 0.00 175.76 174.95 1jts s LEU 92 N 1.01 4.11 0.00 0.00 1.43 -1.26 -4.93 118.68 119.04 1jts s LEU 92 Ca 0.56 -0.96 0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1jts s LEU 92 Cb -0.26 -1.87 0.25 0.00 0.03 0.00 0.00 46.19 44.34 1jts s LEU 92 CO 0.29 -0.27 1.07 0.61 0.23 0.00 0.00 176.35 178.28 1jts n GLY 93 N 4.83 0.81 3.86 -3.19 0.00 -1.26 -4.48 105.19 105.77 1jts n GLY 93 Ca -0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 4.70 0.18 2.61 -4.23 -1.26 -4.91 115.64 112.73 1jts s THR 94 Ca 0.19 0.83 -0.18 0.00 -1.18 0.00 0.00 61.69 61.35 1jts s THR 94 Cb 0.22 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.48 1jts s THR 94 CO -0.10 -0.56 1.62 0.74 -0.54 0.00 0.00 174.62 175.78 1jts h THR 95 N 1.07 0.35 -0.43 3.99 2.02 -1.99 -0.96 112.91 116.96 1jts h THR 95 Ca -0.47 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.78 1jts h THR 95 Cb 1.19 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 1jts h THR 95 CO 0.63 0.00 0.05 0.06 0.37 0.00 0.00 175.52 176.63 1jts h GLN 96 N -0.11 0.16 -0.73 6.66 -0.00 -1.98 0.48 115.11 119.60 1jts h GLN 96 Ca 0.23 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.84 1jts h GLN 96 Cb 0.47 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 27.88 1jts h GLN 96 CO -0.56 0.11 0.32 0.28 -0.00 0.00 0.00 178.83 178.98 1jts h VAL 97 N 0.17 1.24 0.41 1.86 2.07 -1.69 -2.27 116.25 118.03 1jts h VAL 97 Ca 0.21 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1jts h VAL 97 Cb 0.29 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jts h VAL 97 CO -0.32 0.29 -0.20 0.40 0.02 0.00 0.00 177.57 177.77 1jts h ILE 98 N 1.04 0.45 -0.57 4.57 1.08 -0.27 -1.94 117.51 121.87 1jts h ILE 98 Ca 0.25 -0.57 0.17 0.00 -0.39 0.00 0.00 64.86 64.32 1jts h ILE 98 Cb 0.15 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1jts h ILE 98 CO -0.03 0.08 0.55 -1.13 -0.69 0.00 0.00 178.15 176.93 1jts h ASN 99 N -0.94 0.00 0.06 1.72 -0.73 0.02 0.23 115.58 115.94 1jts h ASN 99 Ca -0.06 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.76 1jts h ASN 99 Cb 0.56 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.11 1jts h ASN 99 CO 0.09 0.00 -1.97 -1.54 -0.37 0.00 0.00 177.43 173.64 1jts n SER 100 N -3.81 2.02 -0.92 1.15 3.41 -0.86 -4.54 113.62 110.07 1jts n SER 100 Ca 0.11 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1jts n SER 100 Cb 0.77 -0.80 0.25 0.00 -0.26 0.00 0.00 64.21 64.16 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 -3.74 2.22 -2.06 4.33 5.02 -0.73 -4.96 118.16 118.24 1jts n LYS 101 Ca -0.37 -1.82 -0.43 0.00 -2.02 0.00 0.00 58.31 53.67 1jts n LYS 101 Cb 0.94 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.73 3.62 -1.59 -0.18 -1.32 0.75 -4.86 115.64 110.32 1jts s THR 102 Ca 0.35 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.52 1jts s THR 102 Cb 0.21 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 1jts s THR 102 CO 0.30 -0.25 0.60 -0.81 -2.21 0.00 0.00 174.62 172.26 1jts n PRO 103 N 7.69 0.76 -4.46 7.08 -0.04 -1.26 -4.74 135.00 140.02 1jts n PRO 103 Ca 0.19 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1jts n PRO 103 Cb 0.45 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.59 3.20 0.66 1.53 1.43 -1.26 -5.06 118.68 118.59 1jts s LEU 104 Ca 0.00 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1jts s LEU 104 Cb 0.00 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1jts s LEU 104 CO 0.00 0.20 1.07 1.17 0.23 0.00 0.00 176.35 179.02 1jts n LYS 105 N 3.33 0.82 -1.85 1.70 4.81 -1.26 -4.89 118.16 120.82 1jts n LYS 105 Ca -0.18 0.33 -0.39 0.00 -0.87 0.00 0.00 58.31 57.21 1jts n LYS 105 Cb 0.53 -2.30 0.02 0.00 0.02 0.00 0.00 35.03 33.30 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 -1.43 5.76 0.13 3.14 0.15 -1.26 -4.96 113.70 115.24 1jts s SER 106 Ca 0.78 2.81 -0.24 0.00 0.70 0.00 0.00 55.95 59.99 1jts s SER 106 Cb -0.38 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.21 1jts s SER 106 CO 0.46 -1.24 0.74 -0.47 1.20 0.00 0.00 173.24 173.92 1jts s TYR 107 N -1.26 3.87 -0.09 3.44 6.14 -1.26 -5.00 117.35 123.19 1jts s TYR 107 Ca 0.64 1.55 -0.31 0.00 0.64 0.00 0.00 57.07 59.59 1jts s TYR 107 Cb -0.41 -2.72 -0.09 0.00 0.42 0.00 0.00 41.96 39.16 1jts s TYR 107 CO 0.52 0.50 2.05 -2.30 0.64 0.00 0.00 175.55 176.95 1jts n PRO 108 N 1.77 2.34 -0.90 4.97 -0.02 -1.26 -4.90 135.00 137.00 1jts n PRO 108 Ca -0.06 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1jts n PRO 108 Cb 0.49 -2.97 0.09 0.00 -0.02 0.00 0.00 33.50 31.09 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 8.78 6.03 0.00 2.45 4.32 -1.26 -4.09 117.00 133.22 1jts n LEU 109 Ca 0.25 -3.18 0.00 0.00 -0.02 0.00 0.00 56.01 53.06 1jts n LEU 109 Cb 0.39 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1jts n LEU 109 CO 0.69 1.04 0.00 -0.90 -1.22 0.00 0.00 177.39 177.00 1jts n ASP 110 N -0.40 0.00 -4.78 -1.43 5.68 -1.26 -5.10 116.55 109.27 1jts n ASP 110 Ca 0.40 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 54.32 1jts n ASP 110 Cb 1.02 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.94 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 4.25 0.18 2.12 -4.36 -1.26 -4.97 121.20 117.16 1jts s ILE 111 Ca 0.00 1.79 0.00 0.00 -0.26 0.00 0.00 60.65 62.18 1jts s ILE 111 Cb 0.00 -4.07 0.00 0.00 1.25 0.00 0.00 42.46 39.64 1jts s ILE 111 CO 0.00 0.26 0.00 1.41 0.24 0.00 0.00 174.94 176.85 1jts n HIS 112 N 0.87 -1.13 -0.95 1.37 8.25 -1.26 -4.84 115.22 117.54 1jts n HIS 112 Ca -0.00 0.20 -0.45 0.00 -0.26 0.00 0.00 57.72 57.20 1jts n HIS 112 Cb 0.49 0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.79 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 -3.44 0.57 -0.24 0.41 2.85 -1.26 -2.82 115.26 111.33 1jts n ASN 113 Ca 0.00 0.52 0.03 0.00 -0.11 0.00 0.00 54.58 55.02 1jts n ASN 113 Cb 0.02 -0.68 0.08 0.00 1.24 0.00 0.00 39.78 40.44 1jts n ASN 113 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1jts n VAL 114 N 4.90 -0.29 0.18 3.44 0.31 0.26 0.27 118.33 127.40 1jts n VAL 114 Ca 0.41 1.54 0.11 0.00 -0.01 0.00 0.00 64.34 66.39 1jts n VAL 114 Cb -0.03 -2.12 0.57 0.00 -0.91 0.00 0.00 33.84 31.35 1jts n VAL 114 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1jts h GLN 115 N 0.00 0.00 0.14 5.55 1.08 -1.86 -0.32 115.11 119.70 1jts h GLN 115 Ca 0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1jts h GLN 115 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1jts h GLN 115 CO -0.69 0.00 -0.07 -0.44 -0.95 0.00 0.00 178.83 176.69 1jts h ASP 116 N 0.00 -0.16 -0.86 1.46 3.45 0.34 -3.24 116.42 117.42 1jts h ASP 116 Ca 0.00 0.01 0.17 0.00 0.43 0.00 0.00 57.03 57.63 1jts h ASP 116 Cb 0.20 0.04 -0.10 0.00 -0.56 0.00 0.00 39.33 38.91 1jts h ASP 116 CO 0.00 0.25 0.42 0.45 -1.57 0.00 0.00 179.24 178.79 1jts h HIS 117 N -0.91 0.73 -0.29 4.55 3.86 -1.24 -0.27 115.15 121.58 1jts h HIS 117 Ca -0.02 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1jts h HIS 117 Cb 0.14 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 1jts h HIS 117 CO 0.01 0.11 -0.11 -0.07 0.86 0.00 0.00 177.93 178.73 1jts h LEU 118 N 0.55 -0.38 -0.42 2.43 4.07 -1.23 0.48 115.31 120.81 1jts h LEU 118 Ca 0.49 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.56 1jts h LEU 118 Cb 0.77 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 1jts h LEU 118 CO -0.41 -0.14 0.27 0.11 -1.08 0.00 0.00 178.44 177.19 1jts h LYS 119 N -0.06 0.53 -0.31 1.13 1.57 -1.11 0.81 116.57 119.13 1jts h LYS 119 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1jts h LYS 119 Cb 0.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1jts h LYS 119 CO -0.33 0.35 0.15 0.93 -0.57 0.00 0.00 179.45 179.98 1jts h GLU 120 N 0.55 0.45 -0.23 3.15 4.39 -0.65 -2.43 114.58 119.80 1jts h GLU 120 Ca 0.16 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1jts h GLU 120 Cb -0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1jts h GLU 120 CO -0.05 0.42 0.09 -0.07 -1.16 0.00 0.00 179.01 178.24 1jts h LEU 121 N 0.37 0.33 -0.77 1.33 3.38 0.31 -2.73 115.31 117.52 1jts h LEU 121 Ca 0.11 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.08 1jts h LEU 121 Cb 0.12 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 1jts h LEU 121 CO -0.01 0.42 0.16 0.00 0.09 0.00 0.00 178.44 179.09 1jts h ALA 122 N 0.92 0.99 0.82 1.53 0.00 0.82 0.16 119.26 124.51 1jts h ALA 122 Ca 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1jts h ALA 122 Cb 0.20 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jts h ALA 122 CO -0.01 -0.38 -0.39 -0.44 0.00 0.00 0.00 179.25 178.03 1jts h ASP 123 N 0.22 -0.93 -0.83 0.00 3.45 -1.23 0.30 116.42 117.40 1jts h ASP 123 Ca 0.45 0.02 0.09 0.00 0.43 0.00 0.00 57.03 58.01 1jts h ASP 123 Cb 0.80 0.24 -0.07 0.00 -0.56 0.00 0.00 39.33 39.74 1jts h ASP 123 CO -0.57 -0.61 0.49 0.03 -1.57 0.00 0.00 179.24 177.01 1jts h ARG 124 N -1.21 0.81 -0.59 3.56 2.47 -1.10 0.37 114.38 118.69 1jts h ARG 124 Ca -0.11 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.52 1jts h ARG 124 Cb 0.85 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 1jts h ARG 124 CO 0.18 0.53 0.22 1.88 0.56 0.00 0.00 179.97 183.35 1jts h TYR 125 N 0.83 0.91 -0.81 3.04 -1.99 -0.66 -2.06 116.97 116.23 1jts h TYR 125 Ca 0.39 -0.08 0.04 0.00 2.00 0.00 0.00 58.73 61.08 1jts h TYR 125 Cb 0.33 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 38.73 1jts h TYR 125 CO -0.05 0.74 0.52 0.00 -0.00 0.00 0.00 178.16 179.37 1jts h ALA 126 N 1.08 1.08 0.34 3.88 0.00 0.83 0.78 119.26 127.26 1jts h ALA 126 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jts h ALA 126 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jts h ALA 126 CO -0.01 0.33 -0.21 0.82 0.00 0.00 0.00 179.25 180.18 1jts h ILE 127 N 1.00 0.57 -0.41 0.00 5.03 -0.59 -0.77 117.51 122.35 1jts h ILE 127 Ca 0.33 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 65.05 1jts h ILE 127 Cb 0.03 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 34.38 1jts h ILE 127 CO -0.12 0.00 0.19 0.58 -0.68 0.00 0.00 178.15 178.12 1jts h VAL 128 N -0.52 1.18 0.32 1.67 2.07 -0.87 -0.96 116.25 119.14 1jts h VAL 128 Ca -0.04 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1jts h VAL 128 Cb 0.43 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jts h VAL 128 CO 0.04 0.20 -0.22 0.00 0.02 0.00 0.00 177.57 177.61 1jts h ALA 129 N 1.03 -0.52 -0.81 1.67 0.00 0.66 -0.41 119.26 120.88 1jts h ALA 129 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 129 Cb 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1jts h ALA 129 CO -0.02 -0.81 0.41 -0.91 0.00 0.00 0.00 179.25 177.92 1jts h ASN 130 N -0.54 1.04 0.51 0.00 2.35 -1.12 -1.17 115.58 116.66 1jts h ASN 130 Ca -0.03 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1jts h ASN 130 Cb 0.46 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1jts h ASN 130 CO 0.01 0.87 -0.25 -0.78 -1.65 0.00 0.00 177.43 175.63 1jts h ASP 131 N 1.15 -0.59 -0.29 5.81 -0.00 -1.03 -2.81 116.42 118.67 1jts h ASP 131 Ca 0.28 -0.06 0.02 0.00 -0.00 0.00 0.00 57.03 57.26 1jts h ASP 131 Cb 0.09 0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 1jts h ASP 131 CO -0.04 -0.23 0.19 1.62 -0.00 0.00 0.00 179.24 180.79 1jts h VAL 132 N -0.99 1.04 -0.59 2.25 3.04 -1.05 0.11 116.25 120.06 1jts h VAL 132 Ca -0.07 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 1jts h VAL 132 Cb 0.61 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.54 1jts h VAL 132 CO 0.12 0.06 0.27 -0.09 -1.01 0.00 0.00 177.57 176.91 1jts h ARG 133 N 0.33 0.84 -0.07 4.17 2.43 -1.17 -2.46 114.38 118.45 1jts h ARG 133 Ca 0.11 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1jts h ARG 133 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1jts h ARG 133 CO -0.02 0.67 -0.19 0.87 -1.51 0.00 0.00 179.97 179.79 1jts h LYS 134 N 0.84 0.24 -1.33 0.20 1.57 -0.79 -3.17 116.57 114.12 1jts h LYS 134 Ca 0.21 -0.17 0.39 0.00 -1.87 0.00 0.00 60.65 59.20 1jts h LYS 134 Cb 0.11 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1jts h LYS 134 CO -0.02 0.79 0.99 0.00 -0.57 0.00 0.00 179.45 180.63 1jts h ALA 135 N 0.46 3.26 -0.63 3.86 0.00 -0.60 0.28 119.26 125.88 1jts h ALA 135 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jts h ALA 135 Cb 0.80 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1jts h ALA 135 CO 0.04 -1.68 0.32 0.82 0.00 0.00 0.00 179.25 178.76 1jts h ILE 136 N 0.00 0.92 -0.12 0.00 2.04 -1.46 -1.54 117.51 117.35 1jts h ILE 136 Ca 0.63 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 66.25 1jts h ILE 136 Cb 2.61 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1jts h ILE 136 CO -0.01 0.11 -0.09 1.23 0.00 0.00 0.00 178.15 179.39 1jts h GLY 137 N 0.60 0.29 0.67 5.37 0.00 -0.63 -3.04 103.07 106.33 1jts h GLY 137 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jts h GLY 137 CO -0.20 0.25 0.00 -1.84 0.00 0.00 0.00 176.54 174.75 1jts n GLU 138 N -4.65 0.73 -3.11 4.80 0.28 -1.08 -4.63 120.64 112.97 1jts n GLU 138 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.52 1jts n GLU 138 Cb 0.31 -1.34 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.60 -4.93 121.76 115.91 1jts s ALA 139 Ca 0.24 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.38 1jts s ALA 139 Cb 0.11 -3.17 -0.24 0.00 0.00 0.00 0.00 23.12 19.82 1jts s ALA 139 CO 0.18 -1.34 1.07 0.87 0.00 0.00 0.00 175.76 176.54 1jts h LYS 140 N 8.47 0.09 -6.24 0.00 6.56 -1.87 -3.44 116.57 120.14 1jts h LYS 140 Ca -0.26 -0.15 -0.56 0.00 -1.06 0.00 0.00 60.65 58.61 1jts h LYS 140 Cb 1.11 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.79 1jts h LYS 140 CO 0.84 0.97 1.00 0.34 -2.06 0.00 0.00 179.45 180.53 1jts s ASP 141 N -6.72 6.73 0.15 0.86 3.68 -1.26 -4.93 116.67 115.17 1jts s ASP 141 Ca -0.03 1.68 -0.25 0.00 2.13 0.00 0.00 52.55 56.08 1jts s ASP 141 Cb 0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 1jts s ASP 141 CO 0.84 -0.95 1.60 0.44 0.13 0.00 0.00 175.17 177.22 1jts h ASP 142 N 9.17 -1.10 -0.33 -0.34 3.32 -1.99 0.59 116.42 125.74 1jts h ASP 142 Ca -0.30 0.17 0.07 0.00 0.02 0.00 0.00 57.03 56.98 1jts h ASP 142 Cb 1.13 0.48 -0.06 0.00 0.22 0.00 0.00 39.33 41.10 1jts h ASP 142 CO 0.99 -0.36 -0.08 0.44 -1.72 0.00 0.00 179.24 178.51 1jts h ASP 143 N -0.35 -0.31 -0.60 6.45 3.45 -1.98 -0.27 116.42 122.81 1jts h ASP 143 Ca 0.12 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.70 1jts h ASP 143 Cb 0.56 0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.50 1jts h ASP 143 CO -0.44 -0.11 0.40 0.74 -1.57 0.00 0.00 179.24 178.26 1jts h THR 144 N 0.00 1.12 -0.37 0.35 2.02 -1.79 -0.31 112.91 113.92 1jts h THR 144 Ca 0.16 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1jts h THR 144 Cb 0.24 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1jts h THR 144 CO -0.34 0.14 0.04 0.00 0.37 0.00 0.00 175.52 175.73 1jts h ALA 145 N 1.64 0.50 -0.49 6.16 0.00 0.48 -1.88 119.26 125.66 1jts h ALA 145 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jts h ALA 145 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jts h ALA 145 CO -0.06 0.23 0.32 0.22 0.00 0.00 0.00 179.25 179.97 1jts h ASP 146 N 0.47 0.57 -0.65 0.00 1.82 -0.17 0.07 116.42 118.53 1jts h ASP 146 Ca 0.11 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.80 1jts h ASP 146 Cb 0.40 -0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.21 1jts h ASP 146 CO 0.01 0.41 0.34 0.40 -1.61 0.00 0.00 179.24 178.79 1jts h ILE 147 N 0.67 0.92 -0.19 2.25 2.04 -0.88 -1.65 117.51 120.66 1jts h ILE 147 Ca 0.18 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1jts h ILE 147 Cb -0.07 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1jts h ILE 147 CO -0.04 0.11 -0.36 -0.07 0.00 0.00 0.00 178.15 177.79 1jts h LEU 148 N 0.62 0.43 -0.33 1.44 3.38 -0.57 -2.21 115.31 118.06 1jts h LEU 148 Ca 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1jts h LEU 148 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jts h LEU 148 CO -0.21 0.76 0.10 0.74 0.09 0.00 0.00 178.44 179.93 1jts h THR 149 N 0.36 1.21 -0.41 0.22 2.02 -0.35 0.25 112.91 116.20 1jts h THR 149 Ca 0.04 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1jts h THR 149 Cb 0.80 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1jts h THR 149 CO 0.06 0.23 0.19 0.00 0.37 0.00 0.00 175.52 176.38 1jts h ALA 150 N 0.94 0.51 -0.42 6.16 0.00 -1.18 0.21 119.26 125.48 1jts h ALA 150 Ca 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1jts h ALA 150 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jts h ALA 150 CO -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.16 1jts h ALA 151 N 1.23 0.55 -0.25 0.00 0.00 -1.15 -2.73 119.26 116.91 1jts h ALA 151 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jts h ALA 151 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jts h ALA 151 CO -0.14 0.26 0.16 1.03 0.00 0.00 0.00 179.25 180.56 1jts h SER 152 N 0.54 0.30 -0.83 0.00 0.87 -0.05 -0.32 113.55 114.07 1jts h SER 152 Ca 0.13 -0.04 0.20 0.00 -1.23 0.00 0.00 61.79 60.85 1jts h SER 152 Cb 0.35 -0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.11 1jts h SER 152 CO 0.01 0.26 0.25 -0.09 -0.53 0.00 0.00 176.83 176.72 1jts h ARG 153 N 0.32 0.27 -0.09 2.24 2.43 -0.46 0.11 114.38 119.20 1jts h ARG 153 Ca 0.09 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1jts h ARG 153 Cb 0.01 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1jts h ARG 153 CO -0.02 0.18 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.73 1jts h ASP 154 N 0.28 0.55 -0.64 -3.80 3.45 -1.09 -2.95 116.42 112.22 1jts h ASP 154 Ca 0.50 -0.65 0.06 0.00 0.43 0.00 0.00 57.03 57.37 1jts h ASP 154 Cb 0.94 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.49 1jts h ASP 154 CO -0.57 1.11 0.35 -0.07 -1.57 0.00 0.00 179.24 178.49 1jts h LEU 155 N 0.03 0.52 -0.83 1.55 -0.00 0.33 0.73 115.31 117.64 1jts h LEU 155 Ca -0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1jts h LEU 155 Cb 1.10 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.65 1jts h LEU 155 CO 0.09 0.34 0.46 0.44 -0.00 0.00 0.00 178.44 179.77 1jts h ASP 156 N 0.65 1.03 -0.32 -0.43 3.45 -0.89 0.87 116.42 120.79 1jts h ASP 156 Ca 0.28 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 1jts h ASP 156 Cb 0.17 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1jts h ASP 156 CO -0.18 0.83 0.11 0.50 -1.57 0.00 0.00 179.24 178.93 1jts h LYS 157 N 1.15 0.49 -0.17 3.56 3.64 -1.13 -1.23 116.57 122.87 1jts h LYS 157 Ca 0.29 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1jts h LYS 157 Cb 0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1jts h LYS 157 CO -0.05 0.51 0.09 0.74 -2.27 0.00 0.00 179.45 178.48 1jts h PHE 158 N 0.36 0.17 -0.35 1.91 0.05 -0.44 0.04 116.94 118.68 1jts h PHE 158 Ca 0.10 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.97 1jts h PHE 158 Cb 0.22 -0.05 -0.07 0.00 2.00 0.00 0.00 35.95 38.05 1jts h PHE 158 CO 0.00 0.10 -0.11 1.25 -0.18 0.00 0.00 178.31 179.37 1jts h LEU 159 N 0.19 -0.40 -0.56 1.54 5.85 -0.68 0.21 115.31 121.46 1jts h LEU 159 Ca 0.07 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1jts h LEU 159 Cb 0.01 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1jts h LEU 159 CO -0.04 -0.14 0.21 -0.25 -0.34 0.00 0.00 178.44 177.88 1jts h TRP 160 N -0.04 0.38 -0.50 1.25 7.01 -0.72 0.99 115.95 124.32 1jts h TRP 160 Ca 0.17 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 1jts h TRP 160 Cb 0.30 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1jts h TRP 160 CO -0.34 0.12 0.11 0.74 -2.79 0.00 0.00 178.44 176.28 1jts h PHE 161 N 0.40 0.84 0.29 2.65 -1.00 0.38 0.14 116.94 120.66 1jts h PHE 161 Ca 0.27 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1jts h PHE 161 Cb 0.30 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1jts h PHE 161 CO -0.16 0.76 -0.14 0.82 -1.61 0.00 0.00 178.31 177.98 1jts h ILE 162 N 0.69 0.73 -0.12 -0.55 2.04 -0.12 -2.96 117.51 117.21 1jts h ILE 162 Ca 0.15 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1jts h ILE 162 Cb 0.35 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1jts h ILE 162 CO 0.00 0.03 -0.09 -0.33 0.00 0.00 0.00 178.15 177.76 1jts h GLU 163 N -0.46 -0.10 0.00 2.37 5.08 -0.71 -2.37 114.58 118.39 1jts h GLU 163 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jts h GLU 163 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jts h GLU 163 CO 0.07 -0.07 0.20 0.77 -1.00 0.00 0.00 179.01 178.98 1jts h SER 164 N -0.10 0.00 0.50 1.42 0.02 -0.65 0.24 113.55 114.98 1jts h SER 164 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1jts h SER 164 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1jts h SER 164 CO -0.19 0.00 -0.67 0.59 -1.14 0.00 0.00 176.83 175.42 1jts n ASN 165 N -2.69 0.60 -4.66 3.07 3.02 -0.90 -4.79 115.26 108.90 1jts n ASN 165 Ca -0.02 -0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 1jts n ASN 165 Cb 0.24 0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 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 -3.07 4.65 -2.13 2.41 1.01 0.85 -5.02 121.20 119.90 1jts s ILE 166 Ca 0.08 1.98 0.31 0.00 0.00 0.00 0.00 60.65 63.03 1jts s ILE 166 Cb 0.16 -4.28 0.81 0.00 0.01 0.00 0.00 42.46 39.17 1jts s ILE 166 CO 0.74 -0.15 2.10 -1.84 0.00 0.00 0.00 174.94 175.79