#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 5.40 -0.02 2.03 1.01 -1.26 -5.10 120.40 122.47 2jwy s VAL 2 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2jwy s VAL 2 Cb 0.00 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 2jwy s VAL 2 CO 0.00 0.43 -0.09 -1.58 0.00 0.00 0.00 175.10 173.86 2jwy s GLN 3 N 0.39 0.88 0.61 2.72 0.74 -1.26 -5.15 119.66 118.59 2jwy s GLN 3 Ca 0.09 -0.32 -0.12 0.00 0.05 0.00 0.00 55.36 55.05 2jwy s GLN 3 Cb -0.11 -0.84 -0.04 0.00 1.10 0.00 0.00 33.01 33.12 2jwy s GLN 3 CO -0.01 0.16 1.02 -0.65 -0.55 0.00 0.00 175.29 175.26 2jwy s GLN 4 N 0.01 3.61 -0.24 1.67 -0.21 -1.26 -5.09 119.66 118.15 2jwy s GLN 4 Ca -0.00 0.81 -0.26 0.00 0.02 0.00 0.00 55.36 55.93 2jwy s GLN 4 Cb -0.06 -2.08 0.10 0.00 1.00 0.00 0.00 33.01 31.97 2jwy s GLN 4 CO 0.00 -0.56 0.91 -1.54 -2.12 0.00 0.00 175.29 171.98 2jwy s SER 5 N -3.93 -0.54 0.34 5.90 1.04 -1.26 -5.19 113.70 110.05 2jwy s SER 5 Ca 0.56 0.96 -0.06 0.00 0.48 0.00 0.00 55.95 57.89 2jwy s SER 5 Cb -0.11 0.94 0.01 0.00 0.10 0.00 0.00 66.02 66.96 2jwy s SER 5 CO 0.50 -0.24 0.53 -1.83 0.98 0.00 0.00 173.24 173.17 2jwy s GLU 6 N -0.02 1.92 0.10 4.02 -1.05 -1.26 -5.19 118.70 117.22 2jwy s GLU 6 Ca 0.00 -1.64 -0.24 0.00 -0.15 0.00 0.00 54.97 52.94 2jwy s GLU 6 Cb -0.04 0.48 0.07 0.00 -0.44 0.00 0.00 34.13 34.19 2jwy s GLU 6 CO -0.02 -0.81 0.60 0.54 0.95 0.00 0.00 175.26 176.51 2jwy s VAL 7 N -3.06 0.01 -0.28 1.83 0.11 -1.26 -5.18 120.40 112.57 2jwy s VAL 7 Ca 0.27 -0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.10 2jwy s VAL 7 Cb -0.01 -1.01 0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2jwy s VAL 7 CO 0.17 -0.03 0.74 -0.60 -3.33 0.00 0.00 175.10 172.05 2jwy s ARG 8 N -3.08 0.64 0.28 1.54 3.52 -1.26 -5.19 118.95 115.41 2jwy s ARG 8 Ca -0.02 1.13 0.04 0.00 -0.13 0.00 0.00 55.73 56.75 2jwy s ARG 8 Cb -0.01 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.48 2jwy s ARG 8 CO -0.07 -0.14 0.01 -0.65 -0.81 0.00 0.00 175.30 173.64 2jwy s GLN 9 N 1.62 1.50 0.05 5.12 -0.21 -1.26 -5.17 119.66 121.32 2jwy s GLN 9 Ca -0.10 -1.79 -0.08 0.00 0.02 0.00 0.00 55.36 53.41 2jwy s GLN 9 Cb -0.05 -0.82 -0.00 0.00 1.00 0.00 0.00 33.01 33.14 2jwy s GLN 9 CO -0.19 -0.11 0.16 0.00 -2.12 0.00 0.00 175.29 173.04 2jwy s MET 10 N -3.85 0.71 -0.29 2.91 0.23 -1.26 -5.16 119.30 112.60 2jwy s MET 10 Ca 0.32 -0.76 -0.01 0.00 -1.03 0.00 0.00 55.69 54.21 2jwy s MET 10 Cb 0.06 0.29 0.14 0.00 -1.53 0.00 0.00 34.83 33.79 2jwy s MET 10 CO 0.12 -0.20 0.30 -1.59 -2.03 0.00 0.00 175.02 171.62 2jwy s LYS 11 N -2.96 0.32 -0.15 3.16 -2.85 -1.26 -5.12 119.74 110.89 2jwy s LYS 11 Ca -0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 55.97 54.75 2jwy s LYS 11 Cb 0.01 -0.66 0.05 0.00 -2.06 0.00 0.00 37.83 35.17 2jwy s LYS 11 CO -0.06 -1.01 0.36 -1.01 0.10 0.00 0.00 175.35 173.74 2jwy s HIS 12 N 2.37 -0.48 -0.49 1.78 3.76 -1.26 -5.13 115.29 115.84 2jwy s HIS 12 Ca 0.09 1.09 -0.18 0.00 -0.15 0.00 0.00 55.06 55.91 2jwy s HIS 12 Cb -0.14 0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.79 2jwy s HIS 12 CO -0.32 -0.27 0.54 -1.54 -0.85 0.00 0.00 174.74 172.30 2jwy s SER 13 N 0.97 6.20 -0.29 1.40 1.04 -1.26 -5.04 113.70 116.72 2jwy s SER 13 Ca -0.06 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 2jwy s SER 13 Cb -0.07 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 2jwy s SER 13 CO -0.08 -0.79 0.44 -0.69 0.98 0.00 0.00 173.24 173.11 2jwy s VAL 14 N 2.29 5.11 -0.19 5.02 1.01 -1.26 -4.93 120.40 127.45 2jwy s VAL 14 Ca 0.12 0.57 0.16 0.00 0.00 0.00 0.00 61.98 62.82 2jwy s VAL 14 Cb -0.20 -3.80 0.37 0.00 0.00 0.00 0.00 36.38 32.75 2jwy s VAL 14 CO 0.11 0.04 1.26 -1.20 0.00 0.00 0.00 175.10 175.30 2jwy n SER 15 N 5.48 2.99 -4.76 3.32 7.64 -1.26 -5.06 113.62 121.96 2jwy n SER 15 Ca -0.07 -2.91 -0.39 0.00 1.01 0.00 0.00 58.87 56.51 2jwy n SER 15 Cb 0.50 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 2jwy n SER 15 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jwy s THR 16 N -2.60 2.14 -0.07 0.44 -4.23 -1.26 -4.99 115.64 105.07 2jwy s THR 16 Ca 0.33 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 2jwy s THR 16 Cb 0.27 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 2jwy s THR 16 CO 0.06 0.01 0.40 -0.76 -0.54 0.00 0.00 174.62 173.79 2jwy s LEU 17 N -2.83 4.37 0.00 4.79 1.43 -1.26 -4.98 118.68 120.19 2jwy s LEU 17 Ca 0.62 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2jwy s LEU 17 Cb -0.42 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2jwy s LEU 17 CO 0.54 0.18 0.00 -3.20 0.23 0.00 0.00 176.35 174.10 2jwy n ASN 18 N 2.73 0.00 -4.17 2.29 2.85 -1.26 -5.17 115.26 112.53 2jwy n ASN 18 Ca -0.12 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.25 2jwy n ASN 18 Cb 0.52 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.44 2jwy n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2jwy s GLN 19 N 0.13 0.95 -0.11 1.20 -0.21 -1.26 -5.16 119.66 115.20 2jwy s GLN 19 Ca 0.00 -1.45 -0.04 0.00 0.02 0.00 0.00 55.36 53.89 2jwy s GLN 19 Cb 0.00 0.11 0.05 0.00 1.00 0.00 0.00 33.01 34.17 2jwy s GLN 19 CO 0.00 -0.22 0.23 -2.00 -2.12 0.00 0.00 175.29 171.18 2jwy s GLU 20 N -4.00 0.14 0.71 2.91 2.56 -1.26 -5.17 118.70 114.58 2jwy s GLU 20 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 54.97 55.82 2jwy s GLU 20 Cb 0.07 -0.12 0.12 0.00 2.00 0.00 0.00 34.13 36.21 2jwy s GLU 20 CO 0.01 -0.25 0.98 0.00 -0.56 0.00 0.00 175.26 175.44 2jwy s MET 21 N 1.98 1.73 0.59 4.30 0.23 -1.26 -5.11 119.30 121.75 2jwy s MET 21 Ca -0.02 -1.15 -0.08 0.00 -1.03 0.00 0.00 55.69 53.40 2jwy s MET 21 Cb -0.12 -2.36 0.13 0.00 -1.53 0.00 0.00 34.83 30.96 2jwy s MET 21 CO -0.08 -1.40 0.80 0.25 -2.03 0.00 0.00 175.02 172.57 2jwy n THR 22 N -2.78 0.00 -3.50 3.16 -2.24 -1.26 -5.11 114.28 102.55 2jwy n THR 22 Ca 0.15 -0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 2jwy n THR 22 Cb 0.61 -1.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 2jwy n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jwy s GLN 23 N -4.69 2.64 0.08 -0.78 -0.21 -1.26 -5.15 119.66 110.30 2jwy s GLN 23 Ca 0.47 -1.42 0.04 0.00 0.02 0.00 0.00 55.36 54.47 2jwy s GLN 23 Cb -0.02 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 2jwy s GLN 23 CO 0.33 -0.15 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.07 2jwy s LEU 24 N -4.15 2.34 0.22 2.90 2.96 -1.26 -5.12 118.68 116.57 2jwy s LEU 24 Ca 0.48 -0.71 -0.31 0.00 -0.22 0.00 0.00 54.13 53.37 2jwy s LEU 24 Cb -0.05 -0.35 -0.11 0.00 0.50 0.00 0.00 46.19 46.17 2jwy s LEU 24 CO 0.29 -0.19 1.64 0.21 -1.32 0.00 0.00 176.35 176.98 2jwy s ASN 25 N -2.09 6.45 0.20 3.68 3.84 -1.26 -4.89 114.94 120.87 2jwy s ASN 25 Ca 0.01 2.81 -0.10 0.00 0.21 0.00 0.00 52.86 55.78 2jwy s ASN 25 Cb -0.06 -2.61 0.21 0.00 -0.55 0.00 0.00 41.25 38.24 2jwy s ASN 25 CO 0.01 -0.91 1.80 1.56 -2.79 0.00 0.00 177.10 176.77 2jwy h GLN 26 N 6.32 0.61 -0.33 0.43 7.50 -2.00 0.45 115.11 128.09 2jwy h GLN 26 Ca -0.44 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 58.70 2jwy h GLN 26 Cb 1.21 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.57 2jwy h GLN 26 CO 0.90 0.40 0.16 1.49 -1.50 0.00 0.00 178.83 180.29 2jwy h GLU 27 N 0.63 0.33 -0.43 1.46 4.81 -1.91 -1.50 114.58 117.97 2jwy h GLU 27 Ca 0.28 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2jwy h GLU 27 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2jwy h GLU 27 CO -0.18 0.22 0.29 1.15 -0.73 0.00 0.00 179.01 179.76 2jwy h THR 28 N 0.34 1.04 -0.34 0.32 2.02 -1.70 -0.79 112.91 113.80 2jwy h THR 28 Ca 0.14 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2jwy h THR 28 Cb 0.05 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2jwy h THR 28 CO -0.10 0.09 0.09 0.58 0.37 0.00 0.00 175.52 176.54 2jwy h VAL 29 N 0.47 1.22 -0.47 3.16 2.07 -0.04 -1.04 116.25 121.61 2jwy h VAL 29 Ca 0.17 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2jwy h VAL 29 Cb 0.10 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2jwy h VAL 29 CO -0.04 0.25 0.22 0.11 0.02 0.00 0.00 177.57 178.13 2jwy h LYS 30 N 0.39 0.69 0.12 1.57 6.56 -0.53 0.69 116.57 126.06 2jwy h LYS 30 Ca 0.11 -0.10 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2jwy h LYS 30 Cb 0.29 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.79 2jwy h LYS 30 CO 0.00 0.58 -0.32 0.82 -2.06 0.00 0.00 179.45 178.47 2jwy h ILE 31 N 0.62 0.31 -0.68 1.86 2.04 -1.09 -0.16 117.51 120.42 2jwy h ILE 31 Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 2jwy h ILE 31 Cb 0.13 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2jwy h ILE 31 CO -0.02 0.00 0.36 0.74 0.00 0.00 0.00 178.15 179.23 2jwy h THR 32 N -0.55 0.92 -0.58 -0.27 2.02 -1.07 -2.22 112.91 111.16 2jwy h THR 32 Ca 0.03 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.01 2jwy h THR 32 Cb 0.58 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2jwy h THR 32 CO -0.19 0.12 0.36 -0.61 0.37 0.00 0.00 175.52 175.57 2jwy h GLN 33 N 0.65 0.69 -0.75 6.66 4.15 -0.44 -1.29 115.11 124.78 2jwy h GLN 33 Ca 0.32 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.71 2jwy h GLN 33 Cb 0.25 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 2jwy h GLN 33 CO -0.21 0.46 0.49 0.37 -1.93 0.00 0.00 178.83 178.00 2jwy h GLN 34 N 0.71 0.96 -0.45 1.69 4.15 -0.47 0.98 115.11 122.68 2jwy h GLN 34 Ca 0.23 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2jwy h GLN 34 Cb 0.01 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 2jwy h GLN 34 CO -0.09 0.63 0.27 -0.91 -1.93 0.00 0.00 178.83 176.80 2jwy h ASN 35 N 0.99 0.54 -0.51 -0.69 2.35 -0.99 0.16 115.58 117.43 2jwy h ASN 35 Ca 0.28 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 2jwy h ASN 35 Cb -0.08 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2jwy h ASN 35 CO -0.07 0.44 0.08 0.03 -1.65 0.00 0.00 177.43 176.26 2jwy h ARG 36 N 0.60 0.84 -0.47 0.81 3.08 -0.75 -2.24 114.38 116.25 2jwy h ARG 36 Ca 0.16 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2jwy h ARG 36 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2jwy h ARG 36 CO -0.03 0.83 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.56 2jwy h LEU 37 N 0.72 0.81 -1.58 3.04 3.38 -0.69 -2.42 115.31 118.57 2jwy h LEU 37 Ca 0.15 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jwy h LEU 37 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jwy h LEU 37 CO 0.01 0.92 0.36 -1.13 0.09 0.00 0.00 178.44 178.69 2jwy h ASN 38 N 0.76 0.45 -0.16 -0.43 -0.00 -0.38 0.53 115.58 116.34 2jwy h ASN 38 Ca 0.13 -0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.22 2jwy h ASN 38 Cb 0.56 -0.10 0.01 0.00 -0.00 0.00 0.00 38.32 38.79 2jwy h ASN 38 CO 0.03 0.30 -0.71 0.00 -0.00 0.00 0.00 177.43 177.06 2jwy h ALA 39 N 1.70 0.38 0.00 1.57 0.00 -1.01 -3.26 119.26 118.64 2jwy h ALA 39 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jwy h ALA 39 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jwy h ALA 39 CO -0.06 0.69 -0.27 0.87 0.00 0.00 0.00 179.25 180.48 2jwy h LYS 40 N 0.56 0.00 -6.18 0.00 1.57 -0.89 -3.46 116.57 108.17 2jwy h LYS 40 Ca -0.03 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.18 2jwy h LYS 40 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.65 2jwy h LYS 40 CO 0.15 0.00 1.34 0.45 -0.57 0.00 0.00 179.45 180.81 2jwy n SER 41 N -2.79 3.66 -0.01 0.86 2.88 0.18 -4.86 113.62 113.53 2jwy n SER 41 Ca 0.03 0.60 -0.04 0.00 -1.33 0.00 0.00 58.87 58.14 2jwy n SER 41 Cb 0.51 -1.51 -0.12 0.00 -0.75 0.00 0.00 64.21 62.34 2jwy n SER 41 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jwy n SER 42 N 9.24 0.70 -3.99 -3.46 3.41 -1.26 -4.66 113.62 113.60 2jwy n SER 42 Ca 0.25 0.32 -0.32 0.00 -0.26 0.00 0.00 58.87 58.86 2jwy n SER 42 Cb 0.41 0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 64.52 2jwy n SER 42 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jwy s SER 43 N -5.79 4.85 0.57 4.04 0.01 -1.26 -5.05 113.70 111.07 2jwy s SER 43 Ca -0.05 -3.29 0.00 0.00 1.31 0.00 0.00 55.95 53.92 2jwy s SER 43 Cb 0.08 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2jwy s SER 43 CO 0.82 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2jwy n GLY 44 N 2.79 0.43 3.03 3.44 0.00 -1.26 -4.66 105.19 108.97 2jwy n GLY 44 Ca 0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N 0.00 0.19 -0.43 1.61 -7.23 -0.01 -4.83 120.40 109.70 2jwy s VAL 45 Ca 0.00 -1.29 -0.07 0.00 -1.81 0.00 0.00 61.98 58.81 2jwy s VAL 45 Cb 0.00 -0.80 0.11 0.00 0.56 0.00 0.00 36.38 36.25 2jwy s VAL 45 CO 0.00 -0.69 0.26 -0.31 -0.31 0.00 0.00 175.10 174.05 2jwy s TYR 46 N -2.45 3.46 0.03 2.82 1.51 -1.26 -0.94 117.35 120.52 2jwy s TYR 46 Ca -0.06 -2.01 -0.24 0.00 -1.01 0.00 0.00 57.07 53.74 2jwy s TYR 46 Cb -0.03 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.52 2jwy s TYR 46 CO -0.04 -0.95 0.75 -0.51 -1.11 0.00 0.00 175.55 173.68 2jwy s LEU 47 N 1.29 4.43 -0.37 -1.29 1.43 0.15 -4.70 118.68 119.62 2jwy s LEU 47 Ca 0.06 1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2jwy s LEU 47 Cb -0.24 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.84 2jwy s LEU 47 CO -0.02 0.00 0.18 -0.76 0.23 0.00 0.00 176.35 175.99 2jwy s LEU 48 N 0.05 4.69 0.63 1.79 1.43 -1.26 -0.08 118.68 125.92 2jwy s LEU 48 Ca 0.38 -1.20 0.33 0.00 -1.03 0.00 0.00 54.13 52.61 2jwy s LEU 48 Cb -0.20 -1.95 1.87 0.00 0.03 0.00 0.00 46.19 45.94 2jwy s LEU 48 CO 0.22 -0.41 2.14 1.55 0.23 0.00 0.00 176.35 180.09 2jwy h PRO 49 N 8.34 0.00 0.00 1.29 0.13 -1.86 -0.88 132.00 139.01 2jwy h PRO 49 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 2jwy h PRO 49 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jwy h PRO 49 CO 0.67 0.00 -0.15 0.78 -0.23 0.00 0.00 178.00 179.06 2jwy h GLY 50 N 0.00 0.00 -7.28 1.56 0.00 -1.93 -3.40 103.07 92.02 2jwy h GLY 50 Ca 0.04 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.76 2jwy h GLY 50 CO -0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 2jwy s ALA 51 N -4.30 2.00 -1.17 3.60 0.00 -0.34 -4.93 121.76 116.63 2jwy s ALA 51 Ca -0.03 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 2jwy s ALA 51 Cb 0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2jwy s ALA 51 CO 0.62 -0.95 1.93 1.17 0.00 0.00 0.00 175.76 178.53 2jwy n LYS 52 N 4.67 2.24 -4.24 0.00 4.81 -1.26 -4.69 118.16 119.69 2jwy n LYS 52 Ca -0.14 -2.56 -0.17 0.00 -0.87 0.00 0.00 58.31 54.57 2jwy n LYS 52 Cb 0.46 -3.39 -0.13 0.00 0.02 0.00 0.00 35.03 31.98 2jwy n LYS 52 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jwy s THR 53 N 6.28 0.79 0.39 3.15 -4.23 -1.26 -4.97 115.64 115.78 2jwy s THR 53 Ca 0.58 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 60.03 2jwy s THR 53 Cb 0.07 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 73.09 2jwy s THR 53 CO 0.07 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 173.01 2jwy s PRO 54 N -0.97 4.19 0.15 3.99 0.04 -1.26 -4.55 135.00 136.60 2jwy s PRO 54 Ca -0.01 1.58 0.10 0.00 0.04 0.00 0.00 61.00 62.70 2jwy s PRO 54 Cb -0.07 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2jwy s PRO 54 CO 0.01 -0.14 -0.22 0.00 0.04 0.00 0.00 177.00 176.69 2jwy s ALA 55 N -1.58 2.17 -0.30 8.56 0.00 0.21 -4.96 121.76 125.85 2jwy s ALA 55 Ca 0.57 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2jwy s ALA 55 Cb -0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2jwy s ALA 55 CO 0.30 0.36 0.39 0.50 0.00 0.00 0.00 175.76 177.32 2jwy s ARG 56 N -2.46 3.82 -0.15 0.00 3.52 -1.26 -1.48 118.95 120.94 2jwy s ARG 56 Ca 0.15 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 2jwy s ARG 56 Cb -0.08 -3.72 0.01 0.00 -1.56 0.00 0.00 34.95 29.59 2jwy s ARG 56 CO 0.07 -0.41 -0.19 -1.17 -0.81 0.00 0.00 175.30 172.79 2jwy s LEU 57 N 2.11 2.28 -0.62 -0.88 2.96 0.38 -4.92 118.68 119.99 2jwy s LEU 57 Ca 0.15 -0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 53.27 2jwy s LEU 57 Cb -0.16 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.08 2jwy s LEU 57 CO 0.11 0.07 0.99 -0.70 -1.32 0.00 0.00 176.35 175.50 2jwy s GLU 58 N 0.87 3.21 0.19 1.98 2.12 -1.26 -0.76 118.70 125.04 2jwy s GLU 58 Ca -0.05 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.75 2jwy s GLU 58 Cb -0.15 -4.15 0.04 0.00 0.26 0.00 0.00 34.13 30.13 2jwy s GLU 58 CO -0.02 -1.71 0.26 -1.13 -0.54 0.00 0.00 175.26 172.12 2jwy n SER 59 N 7.78 0.43 -0.42 -1.70 3.41 -1.15 -4.96 113.62 117.02 2jwy n SER 59 Ca -0.01 -1.35 0.13 0.00 -0.26 0.00 0.00 58.87 57.38 2jwy n SER 59 Cb 0.47 -0.16 0.37 0.00 -0.26 0.00 0.00 64.21 64.62 2jwy n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jwy n GLN 60 N -1.47 1.31 -0.01 4.33 6.02 -0.17 -3.78 117.38 123.61 2jwy n GLN 60 Ca 0.05 -0.84 0.08 0.00 -0.01 0.00 0.00 57.00 56.27 2jwy n GLN 60 Cb 0.17 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.83 2jwy n GLN 60 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2jwy n ILE 61 N -0.11 0.00 0.00 5.09 -5.35 -1.26 -4.82 119.36 112.91 2jwy n ILE 61 Ca 0.15 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2jwy n ILE 61 Cb 0.38 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2jwy n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jwy n GLY 62 N 1.59 3.79 3.70 3.28 0.00 -1.25 -5.06 105.19 111.24 2jwy n GLY 62 Ca -0.02 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.00 2.57 0.14 2.61 2.01 -1.26 -2.91 115.64 116.80 2jwy s THR 63 Ca 0.00 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 2jwy s THR 63 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2jwy s THR 63 CO 0.00 0.01 0.08 -1.48 -0.69 0.00 0.00 174.62 172.54 2jwy s LEU 64 N 1.92 1.66 -0.23 4.42 0.05 0.06 -1.48 118.68 125.09 2jwy s LEU 64 Ca 0.75 -1.21 0.01 0.00 0.05 0.00 0.00 54.13 53.73 2jwy s LEU 64 Cb -0.45 0.36 0.04 0.00 -2.05 0.00 0.00 46.19 44.09 2jwy s LEU 64 CO 0.33 -0.75 -0.14 -0.60 -0.55 0.00 0.00 176.35 174.64 2jwy s ARG 65 N -4.06 2.63 0.09 1.48 3.52 0.59 -0.47 118.95 122.74 2jwy s ARG 65 Ca 0.25 -1.08 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2jwy s ARG 65 Cb 0.07 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 2jwy s ARG 65 CO 0.03 -0.40 0.13 -1.64 -0.81 0.00 0.00 175.30 172.60 2jwy s MET 66 N 1.21 3.04 0.02 5.12 -1.94 -0.55 -0.85 119.30 125.35 2jwy s MET 66 Ca -0.02 -0.65 -0.17 0.00 -1.71 0.00 0.00 55.69 53.14 2jwy s MET 66 Cb -0.17 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.90 2jwy s MET 66 CO -0.08 0.56 0.37 -1.54 -0.01 0.00 0.00 175.02 174.32 2jwy s SER 67 N -2.55 -0.23 -0.35 3.03 1.04 -0.70 -0.62 113.70 113.31 2jwy s SER 67 Ca 0.31 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 2jwy s SER 67 Cb -0.12 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2jwy s SER 67 CO 0.24 -0.59 0.20 -0.76 0.98 0.00 0.00 173.24 173.31 2jwy s LEU 68 N -1.81 4.51 0.22 2.42 1.43 -1.26 -1.36 118.68 122.83 2jwy s LEU 68 Ca -0.08 -0.74 0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2jwy s LEU 68 Cb -0.02 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2jwy s LEU 68 CO -0.00 -0.30 -0.21 0.68 0.23 0.00 0.00 176.35 176.74 2jwy s VAL 69 N 1.61 2.27 -1.49 -1.59 -7.23 -0.64 -4.66 120.40 108.68 2jwy s VAL 69 Ca 0.04 -2.16 -0.06 0.00 -1.81 0.00 0.00 61.98 57.99 2jwy s VAL 69 Cb -0.18 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.63 2jwy s VAL 69 CO 0.07 -0.28 0.85 0.59 -0.31 0.00 0.00 175.10 176.02 2jwy n ASN 70 N -0.08 -6.26 -4.56 4.85 3.02 -1.26 -0.87 115.26 110.11 2jwy n ASN 70 Ca -0.10 -0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 53.67 2jwy n ASN 70 Cb 0.58 -5.00 -0.03 0.00 -0.61 0.00 0.00 39.78 34.72 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -3.24 3.39 0.30 2.41 1.01 -1.26 -4.28 121.20 119.54 2jwy s ILE 71 Ca 0.42 0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.44 2jwy s ILE 71 Cb -0.19 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 2jwy s ILE 71 CO 0.52 -0.85 -0.13 0.42 0.00 0.00 0.00 174.94 174.90 2jwy s THR 72 N 8.65 2.20 0.93 2.92 -4.23 0.57 -4.99 115.64 121.69 2jwy s THR 72 Ca 0.68 -2.26 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2jwy s THR 72 Cb -0.14 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.38 2jwy s THR 72 CO 0.23 -0.31 1.09 -2.16 -0.54 0.00 0.00 174.62 172.93 2jwy s PRO 73 N -3.59 1.01 0.26 3.99 0.04 -1.26 0.51 135.00 135.96 2jwy s PRO 73 Ca 0.31 0.72 0.05 0.00 0.04 0.00 0.00 61.00 62.12 2jwy s PRO 73 Cb -0.00 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2jwy s PRO 73 CO 0.15 -2.38 -0.02 0.34 0.04 0.00 0.00 177.00 175.12 2jwy s ASP 74 N -3.44 2.33 0.46 6.66 2.15 0.17 -3.78 116.67 121.22 2jwy s ASP 74 Ca 0.64 -1.22 0.13 0.00 0.43 0.00 0.00 52.55 52.53 2jwy s ASP 74 Cb -0.18 -0.09 1.07 0.00 -0.30 0.00 0.00 42.92 43.43 2jwy s ASP 74 CO 0.57 -0.44 2.08 0.00 -0.17 0.00 0.00 175.17 177.21 2jwy h ALA 75 N 2.35 1.91 0.00 3.66 0.00 -1.98 -3.30 119.26 121.90 2jwy h ALA 75 Ca -0.39 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.21 2jwy h ALA 75 Cb 1.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jwy h ALA 75 CO 0.66 0.05 -1.99 -3.47 0.00 0.00 0.00 179.25 174.51 2jwy n ASP 76 N -4.49 1.61 0.00 0.00 2.03 -1.26 -5.09 116.55 109.35 2jwy n ASP 76 Ca 0.02 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2jwy n ASP 76 Cb 0.15 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jwy n GLY 77 N 2.08 2.20 2.93 0.27 0.00 -1.22 -3.91 105.19 107.56 2jwy n GLY 77 Ca -0.34 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N 1.36 -0.04 -0.33 2.61 2.01 -0.11 -0.66 115.64 120.48 2jwy s THR 78 Ca 0.00 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 2jwy s THR 78 Cb 0.00 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.27 2jwy s THR 78 CO 0.00 0.07 0.17 0.42 -0.69 0.00 0.00 174.62 174.58 2jwy s THR 79 N 1.07 4.59 0.03 -0.82 -4.23 0.18 -0.03 115.64 116.44 2jwy s THR 79 Ca -0.08 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2jwy s THR 79 Cb -0.11 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 2jwy s THR 79 CO -0.05 -0.01 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.47 2jwy s LEU 80 N 1.60 2.23 -0.37 4.79 0.05 -0.44 -0.32 118.68 126.22 2jwy s LEU 80 Ca 0.04 -0.50 -0.19 0.00 0.05 0.00 0.00 54.13 53.54 2jwy s LEU 80 Cb -0.18 -0.09 0.00 0.00 -2.05 0.00 0.00 46.19 43.88 2jwy s LEU 80 CO 0.06 -0.21 0.53 -0.89 -0.55 0.00 0.00 176.35 175.30 2jwy s THR 81 N -1.30 4.99 -0.40 5.48 2.01 -0.04 0.03 115.64 126.41 2jwy s THR 81 Ca -0.11 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 2jwy s THR 81 Cb -0.09 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2jwy s THR 81 CO -0.00 -0.30 0.67 -0.22 -0.69 0.00 0.00 174.62 174.08 2jwy s LEU 82 N 2.45 4.32 -0.21 4.42 1.98 0.06 -1.62 118.68 130.08 2jwy s LEU 82 Ca 0.19 -0.02 -0.13 0.00 -2.89 0.00 0.00 54.13 51.28 2jwy s LEU 82 Cb -0.15 -2.82 -0.05 0.00 0.66 0.00 0.00 46.19 43.83 2jwy s LEU 82 CO 0.14 -0.71 0.27 -0.13 -1.89 0.00 0.00 176.35 174.03 2jwy s ARG 83 N 2.87 4.16 -0.36 1.98 0.52 -0.46 -1.23 118.95 126.42 2jwy s ARG 83 Ca 0.25 -0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 2jwy s ARG 83 Cb -0.14 -3.50 0.06 0.00 0.52 0.00 0.00 34.95 31.89 2jwy s ARG 83 CO 0.18 0.08 0.13 0.42 0.02 0.00 0.00 175.30 176.13 2jwy s ILE 84 N 0.96 3.65 -0.40 1.52 1.09 0.99 -1.73 121.20 127.28 2jwy s ILE 84 Ca 0.13 -1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 58.20 2jwy s ILE 84 Cb -0.14 -3.18 0.06 0.00 -1.06 0.00 0.00 42.46 38.15 2jwy s ILE 84 CO 0.05 -0.32 0.23 -1.58 -0.10 0.00 0.00 174.94 173.21 2jwy s GLN 85 N 1.34 2.64 0.20 2.79 2.00 -0.03 -0.80 119.66 127.79 2jwy s GLN 85 Ca 0.00 -1.35 -0.32 0.00 -2.00 0.00 0.00 55.36 51.69 2jwy s GLN 85 Cb -0.21 -3.72 -0.12 0.00 0.80 0.00 0.00 33.01 29.76 2jwy s GLN 85 CO 0.01 -0.86 1.72 0.41 -0.50 0.00 0.00 175.29 176.06 2jwy n GLY 86 N 4.91 1.51 2.31 2.59 0.00 0.41 -0.30 105.19 116.62 2jwy n GLY 86 Ca -0.11 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 2jwy n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jwy n GLU 87 N 4.01 3.67 -0.92 1.61 2.13 -0.55 -4.71 120.64 125.89 2jwy n GLU 87 Ca 0.16 -2.29 0.00 0.00 0.66 0.00 0.00 57.16 55.69 2jwy n GLU 87 Cb 0.34 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.36 2jwy n GLU 87 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jwy n SER 88 N 3.15 0.00 -0.62 4.31 3.41 -1.26 -4.92 113.62 117.69 2jwy n SER 88 Ca 0.73 -0.64 0.06 0.00 -0.26 0.00 0.00 58.87 58.75 2jwy n SER 88 Cb 0.30 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.41 2jwy n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2jwy n ASN 89 N -0.37 3.04 -4.75 4.04 0.23 -1.26 -4.66 115.26 111.52 2jwy n ASN 89 Ca 0.00 -2.27 -0.40 0.00 -0.53 0.00 0.00 54.58 51.39 2jwy n ASN 89 Cb 0.00 -0.29 -0.05 0.00 -2.08 0.00 0.00 39.78 37.36 2jwy n ASN 89 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2jwy s ASP 90 N -1.27 7.26 -0.82 0.53 1.01 -1.26 -4.68 116.67 117.43 2jwy s ASP 90 Ca 0.25 1.50 -0.25 0.00 0.71 0.00 0.00 52.55 54.76 2jwy s ASP 90 Cb 0.16 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.63 2jwy s ASP 90 CO 0.12 0.07 1.55 -2.16 0.21 0.00 0.00 175.17 174.96 2jwy s PRO 91 N -0.36 3.10 0.29 8.23 0.04 -1.26 -4.07 135.00 140.96 2jwy s PRO 91 Ca 0.38 -0.35 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 2jwy s PRO 91 Cb -0.21 -4.71 -0.10 0.00 0.04 0.00 0.00 34.50 29.52 2jwy s PRO 91 CO 0.24 -2.48 1.15 -0.51 0.04 0.00 0.00 177.00 175.44 2jwy s LEU 92 N 6.86 4.52 0.99 -3.56 1.43 -1.23 -4.82 118.68 122.87 2jwy s LEU 92 Ca 0.50 2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 55.81 2jwy s LEU 92 Cb -0.06 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.71 2jwy s LEU 92 CO 0.06 -0.24 1.20 -2.16 0.23 0.00 0.00 176.35 175.45 2jwy s PRO 93 N -1.49 0.51 0.34 1.29 0.04 -1.26 -0.02 135.00 134.40 2jwy s PRO 93 Ca 0.46 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 2jwy s PRO 93 Cb -0.34 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 2jwy s PRO 93 CO 0.44 -2.56 1.46 0.00 0.04 0.00 0.00 177.00 176.37 2jwy s ALA 94 N -3.46 3.59 0.24 8.56 0.00 -1.26 -4.60 121.76 124.82 2jwy s ALA 94 Ca 0.69 1.48 0.01 0.00 0.00 0.00 0.00 51.96 54.13 2jwy s ALA 94 Cb -0.09 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2jwy s ALA 94 CO 0.53 -0.92 0.14 -0.59 0.00 0.00 0.00 175.76 174.93 2jwy s PHE 95 N -0.83 1.34 0.07 0.00 -0.71 -1.13 -1.28 117.98 115.45 2jwy s PHE 95 Ca 0.54 -1.37 -0.17 0.00 -1.04 0.00 0.00 56.93 54.90 2jwy s PHE 95 Cb -0.45 -0.67 0.03 0.00 -1.21 0.00 0.00 43.02 40.72 2jwy s PHE 95 CO 0.56 -0.59 0.39 -1.54 -1.34 0.00 0.00 175.22 172.71 2jwy s SER 96 N -3.23 -0.24 0.25 1.98 1.04 0.48 -1.08 113.70 112.89 2jwy s SER 96 Ca 0.39 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 2jwy s SER 96 Cb 0.07 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2jwy s SER 96 CO 0.14 -0.73 0.73 0.61 0.98 0.00 0.00 173.24 174.98 2jwy n GLY 97 N 0.24 0.98 3.48 7.32 0.00 -0.54 -0.70 105.19 115.98 2jwy n GLY 97 Ca -0.18 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2jwy n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 98 N -2.22 4.00 -0.20 2.61 2.01 -0.21 -0.75 115.64 120.88 2jwy s THR 98 Ca 0.15 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 2jwy s THR 98 Cb -0.03 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 2jwy s THR 98 CO 0.08 0.46 -0.04 0.54 -0.69 0.00 0.00 174.62 174.96 2jwy s VAL 99 N 0.68 3.55 -0.40 3.82 0.11 0.09 -2.07 120.40 126.17 2jwy s VAL 99 Ca -0.01 -0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 2jwy s VAL 99 Cb -0.14 -2.59 0.05 0.00 -1.53 0.00 0.00 36.38 32.17 2jwy s VAL 99 CO 0.02 0.44 0.24 -1.61 -3.33 0.00 0.00 175.10 170.86 2jwy s GLU 100 N 1.12 2.75 -0.14 1.54 2.02 0.20 -0.83 118.70 125.36 2jwy s GLU 100 Ca 0.02 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 2jwy s GLU 100 Cb -0.15 -3.78 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 2jwy s GLU 100 CO -0.00 -0.83 -0.10 1.52 0.02 0.00 0.00 175.26 175.87 2jwy s TYR 101 N 1.51 2.88 0.00 1.61 1.13 -0.15 -0.49 117.35 123.85 2jwy s TYR 101 Ca 0.02 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 2jwy s TYR 101 Cb -0.21 -1.90 0.00 0.00 -1.10 0.00 0.00 41.96 38.75 2jwy s TYR 101 CO 0.05 -0.19 0.00 0.41 -2.51 0.00 0.00 175.55 173.31 2jwy n GLY 102 N 3.63 2.88 3.19 5.49 0.00 -1.02 -0.69 105.19 118.68 2jwy n GLY 102 Ca -0.18 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 3.27 1.46 -0.26 1.61 -0.21 0.23 -0.09 119.66 125.67 2jwy s GLN 103 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 2jwy s GLN 103 Cb 0.00 -1.44 -0.05 0.00 1.00 0.00 0.00 33.01 32.52 2jwy s GLN 103 CO 0.00 0.39 0.17 0.42 -2.12 0.00 0.00 175.29 174.15 2jwy s ILE 104 N -0.52 5.28 -0.43 1.08 1.01 -1.26 -1.13 121.20 125.23 2jwy s ILE 104 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 2jwy s ILE 104 Cb -0.07 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 39.02 2jwy s ILE 104 CO -0.00 0.31 0.24 0.00 0.00 0.00 0.00 174.94 175.48 2jwy s GLN 105 N 1.37 2.10 0.00 2.79 -2.07 -0.54 -4.93 119.66 118.37 2jwy s GLN 105 Ca 0.07 -1.83 0.00 0.00 -1.82 0.00 0.00 55.36 51.78 2jwy s GLN 105 Cb -0.15 -3.65 0.00 0.00 -1.09 0.00 0.00 33.01 28.12 2jwy s GLN 105 CO 0.07 -1.10 0.00 0.41 -1.32 0.00 0.00 175.29 173.35 2jwy n GLY 106 N 4.62 -0.64 0.00 2.60 0.00 -1.26 -1.14 105.19 109.38 2jwy n GLY 106 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N 9.00 0.00 0.25 2.61 -2.24 0.63 -4.82 114.28 119.71 2jwy n THR 107 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2jwy n THR 107 Cb 0.00 -0.98 0.53 0.00 -2.10 0.00 0.00 70.33 67.78 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N 0.01 0.20 0.00 2.28 1.08 -2.01 -3.33 117.51 115.74 2jwy h ILE 108 Ca 0.00 -0.81 -0.27 0.00 -0.39 0.00 0.00 64.86 63.38 2jwy h ILE 108 Cb 0.00 1.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 2jwy h ILE 108 CO 0.00 0.08 -2.04 -0.67 -0.69 0.00 0.00 178.15 174.83 2jwy n ASP 109 N -3.19 2.53 -3.93 1.72 2.03 -1.26 -4.86 116.55 109.59 2jwy n ASP 109 Ca 0.01 -0.10 -0.30 0.00 0.52 0.00 0.00 54.79 54.92 2jwy n ASP 109 Cb 0.39 -0.25 -0.14 0.00 -0.72 0.00 0.00 41.12 40.40 2jwy n ASP 109 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jwy s ASN 110 N -5.74 4.29 0.02 1.67 4.22 -1.25 -5.09 114.94 113.06 2jwy s ASN 110 Ca -0.24 -2.80 0.05 0.00 -2.14 0.00 0.00 52.86 47.73 2jwy s ASN 110 Cb 0.06 -1.54 -0.02 0.00 1.28 0.00 0.00 41.25 41.03 2jwy s ASN 110 CO 0.43 -0.26 -0.16 0.72 -2.04 0.00 0.00 177.10 175.78 2jwy s PHE 111 N 0.01 1.44 -0.08 1.54 -0.71 -1.25 -0.27 117.98 118.66 2jwy s PHE 111 Ca 0.16 -0.33 0.04 0.00 -1.04 0.00 0.00 56.93 55.77 2jwy s PHE 111 Cb -0.25 -0.88 -0.01 0.00 -1.21 0.00 0.00 43.02 40.67 2jwy s PHE 111 CO -0.02 0.03 -0.21 -0.65 -1.34 0.00 0.00 175.22 173.03 2jwy s GLN 112 N -0.87 2.81 -0.46 1.99 -0.21 -0.29 -4.94 119.66 117.69 2jwy s GLN 112 Ca 0.05 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.36 2jwy s GLN 112 Cb -0.07 -2.30 0.03 0.00 1.00 0.00 0.00 33.01 31.66 2jwy s GLN 112 CO 0.01 0.33 0.80 -1.21 -2.12 0.00 0.00 175.29 173.10 2jwy s GLU 113 N -0.02 3.41 0.27 2.91 2.02 -1.26 -1.47 118.70 124.55 2jwy s GLU 113 Ca -0.07 -0.11 0.08 0.00 0.02 0.00 0.00 54.97 54.90 2jwy s GLU 113 Cb -0.15 -3.95 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 2jwy s GLU 113 CO 0.05 -1.15 -0.11 0.96 0.02 0.00 0.00 175.26 175.02 2jwy s ILE 114 N 3.36 1.94 -1.24 -1.63 -4.36 -0.29 -4.79 121.20 114.19 2jwy s ILE 114 Ca 0.30 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2jwy s ILE 114 Cb -0.12 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2jwy s ILE 114 CO 0.23 -0.38 0.00 0.59 0.24 0.00 0.00 174.94 175.62 2jwy n ASN 115 N -0.58 -4.26 -4.81 4.36 3.02 -1.26 -0.60 115.26 111.14 2jwy n ASN 115 Ca -0.06 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 2jwy n ASN 115 Cb 0.62 -3.63 -0.06 0.00 -0.61 0.00 0.00 39.78 36.10 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -2.65 4.84 0.13 2.41 0.11 -1.26 -4.41 120.40 119.56 2jwy s VAL 116 Ca 0.00 1.13 0.09 0.00 -2.93 0.00 0.00 61.98 60.27 2jwy s VAL 116 Cb 0.00 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 2jwy s VAL 116 CO 0.00 0.53 -0.20 -1.10 -3.33 0.00 0.00 175.10 171.00 2jwy s GLN 117 N -0.92 1.20 -0.14 1.54 -0.21 0.13 -4.93 119.66 116.34 2jwy s GLN 117 Ca 0.28 -1.26 -0.03 0.00 0.02 0.00 0.00 55.36 54.36 2jwy s GLN 117 Cb -0.19 -1.41 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 2jwy s GLN 117 CO 0.17 0.31 -0.02 0.54 -2.12 0.00 0.00 175.29 174.17 2jwy s ASN 118 N -2.18 4.93 0.13 5.90 2.20 -1.26 -0.97 114.94 123.70 2jwy s ASN 118 Ca 0.10 -0.06 0.06 0.00 -0.94 0.00 0.00 52.86 52.02 2jwy s ASN 118 Cb -0.09 -1.71 -0.04 0.00 -2.00 0.00 0.00 41.25 37.41 2jwy s ASN 118 CO 0.05 0.21 -0.13 -1.58 -2.94 0.00 0.00 177.10 172.71 2jwy s GLN 119 N 0.10 1.05 -0.27 3.55 0.74 -0.01 -4.97 119.66 119.85 2jwy s GLN 119 Ca 0.00 -1.31 -0.14 0.00 0.05 0.00 0.00 55.36 53.96 2jwy s GLN 119 Cb -0.13 -0.85 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 2jwy s GLN 119 CO 0.02 0.15 0.33 -0.51 -0.55 0.00 0.00 175.29 174.73 2jwy s LEU 120 N -2.68 4.04 -0.53 3.68 1.43 -1.26 -0.73 118.68 122.62 2jwy s LEU 120 Ca 0.12 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2jwy s LEU 120 Cb -0.03 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.97 2jwy s LEU 120 CO 0.03 -0.15 0.50 0.27 0.23 0.00 0.00 176.35 177.22 2jwy s ILE 121 N 1.99 5.19 -0.17 -0.59 -4.36 0.07 -4.95 121.20 118.38 2jwy s ILE 121 Ca 0.13 -1.40 -0.07 0.00 -0.26 0.00 0.00 60.65 59.04 2jwy s ILE 121 Cb -0.16 -4.32 -0.04 0.00 1.25 0.00 0.00 42.46 39.19 2jwy s ILE 121 CO 0.10 -0.84 0.07 0.20 0.24 0.00 0.00 174.94 174.71 2jwy s ASN 122 N 3.46 5.74 0.07 4.36 -0.87 -1.26 -1.47 114.94 124.97 2jwy s ASN 122 Ca 0.04 0.14 0.07 0.00 -1.57 0.00 0.00 52.86 51.53 2jwy s ASN 122 Cb -0.29 -1.95 -0.03 0.00 -0.02 0.00 0.00 41.25 38.96 2jwy s ASN 122 CO 0.04 0.21 -0.18 0.00 -2.57 0.00 0.00 177.10 174.60 2jwy s ALA 123 N 0.14 1.53 1.32 0.60 0.00 -0.24 -5.01 121.76 120.10 2jwy s ALA 123 Ca 0.05 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 2jwy s ALA 123 Cb -0.12 -0.22 0.33 0.00 0.00 0.00 0.00 23.12 23.12 2jwy s ALA 123 CO 0.00 0.30 0.98 -2.14 0.00 0.00 0.00 175.76 174.90 2jwy s PRO 124 N -1.60 -2.12 -0.04 0.00 0.02 -1.26 -2.83 135.00 127.17 2jwy s PRO 124 Ca 0.04 0.35 -0.04 0.00 0.02 0.00 0.00 61.00 61.37 2jwy s PRO 124 Cb -0.09 -1.45 -0.04 0.00 0.02 0.00 0.00 34.50 32.93 2jwy s PRO 124 CO 0.03 -4.40 0.17 0.00 -0.33 0.00 0.00 177.00 172.47 2jwy s ALA 125 N -2.40 3.93 -0.61 -1.55 0.00 -1.26 -4.32 121.76 115.55 2jwy s ALA 125 Ca 0.69 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2jwy s ALA 125 Cb -0.17 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.10 2jwy s ALA 125 CO 0.60 0.71 0.93 -1.12 0.00 0.00 0.00 175.76 176.89 2jwy s SER 126 N -1.69 6.24 0.17 0.00 0.01 0.97 -4.89 113.70 114.51 2jwy s SER 126 Ca 0.24 -0.72 0.26 0.00 1.31 0.00 0.00 55.95 57.04 2jwy s SER 126 Cb -0.12 -2.42 0.84 0.00 0.21 0.00 0.00 66.02 64.53 2jwy s SER 126 CO 0.15 -1.32 1.77 1.33 0.41 0.00 0.00 173.24 175.57 2jwy n VAL 127 N 6.01 0.49 -4.31 3.43 0.24 -1.26 -3.56 118.33 119.37 2jwy n VAL 127 Ca -0.02 -0.24 -0.20 0.00 -2.04 0.00 0.00 64.34 61.84 2jwy n VAL 127 Cb 0.46 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.22 2jwy n VAL 127 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwy n LEU 128 N -2.14 0.00 -4.84 1.34 -0.00 -1.26 -4.94 117.00 105.16 2jwy n LEU 128 Ca 0.06 -3.18 -0.34 0.00 -0.00 0.00 0.00 56.01 52.54 2jwy n LEU 128 Cb 0.42 1.60 -0.06 0.00 -0.00 0.00 0.00 43.42 45.38 2jwy n LEU 128 CO 0.30 -0.52 -0.20 0.00 -0.00 0.00 0.00 177.39 176.97 2jwy s ALA 129 N -3.33 3.78 0.75 1.47 0.00 -1.26 -4.14 121.76 119.02 2jwy s ALA 129 Ca 0.38 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 2jwy s ALA 129 Cb 0.02 -1.77 0.07 0.00 0.00 0.00 0.00 23.12 21.45 2jwy s ALA 129 CO 0.27 0.70 1.09 -1.25 0.00 0.00 0.00 175.76 176.56 2jwy s PRO 130 N -1.66 2.04 -1.07 0.00 0.04 -1.26 -5.07 135.00 128.01 2jwy s PRO 130 Ca 0.23 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 60.94 2jwy s PRO 130 Cb -0.12 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.46 2jwy s PRO 130 CO 0.14 -1.42 1.35 0.45 0.04 0.00 0.00 177.00 177.56 2jwy s SER 131 N -4.56 6.76 -0.19 6.66 0.15 -1.26 -4.97 113.70 116.29 2jwy s SER 131 Ca 0.61 -2.26 -0.03 0.00 0.70 0.00 0.00 55.95 54.98 2jwy s SER 131 Cb -0.10 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2jwy s SER 131 CO 0.47 -1.07 -0.07 1.51 1.20 0.00 0.00 173.24 175.28 2jwy s ASP 132 N 3.73 4.22 -0.16 5.45 -4.77 -1.26 -0.45 116.67 123.43 2jwy s ASP 132 Ca 0.41 -0.37 -0.03 0.00 -3.30 0.00 0.00 52.55 49.26 2jwy s ASP 132 Cb -0.02 -1.70 0.05 0.00 -1.09 0.00 0.00 42.92 40.16 2jwy s ASP 132 CO -0.05 0.03 0.03 -0.69 0.70 0.00 0.00 175.17 175.20 2jwy s VAL 133 N 1.15 0.42 -0.10 2.11 1.01 0.02 -4.95 120.40 120.06 2jwy s VAL 133 Ca 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2jwy s VAL 133 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2jwy s VAL 133 CO -0.02 -0.09 -0.11 1.51 0.00 0.00 0.00 175.10 176.40 2jwy s ASP 134 N 1.92 4.23 -0.06 3.32 -4.77 -1.26 -0.01 116.67 120.04 2jwy s ASP 134 Ca 0.01 -0.21 0.04 0.00 -3.30 0.00 0.00 52.55 49.09 2jwy s ASP 134 Cb -0.16 -1.32 0.00 0.00 -1.09 0.00 0.00 42.92 40.35 2jwy s ASP 134 CO -0.07 0.26 -0.18 0.27 0.70 0.00 0.00 175.17 176.15 2jwy s ILE 135 N -0.18 1.50 -0.37 2.11 -4.36 -0.37 -4.95 121.20 114.57 2jwy s ILE 135 Ca 0.01 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.38 2jwy s ILE 135 Cb -0.13 -1.30 0.01 0.00 1.25 0.00 0.00 42.46 42.28 2jwy s ILE 135 CO 0.03 0.43 1.37 -2.84 0.24 0.00 0.00 174.94 174.17 2jwy s PRO 136 N 0.20 3.70 0.00 0.37 0.02 -1.26 -0.76 135.00 137.26 2jwy s PRO 136 Ca -0.08 1.04 -0.13 0.00 0.02 0.00 0.00 61.00 61.85 2jwy s PRO 136 Cb -0.13 -3.97 -0.05 0.00 0.02 0.00 0.00 34.50 30.36 2jwy s PRO 136 CO 0.04 -1.41 0.37 -0.51 -0.33 0.00 0.00 177.00 175.16 2jwy s LEU 137 N 5.05 4.44 -0.51 -5.54 1.43 0.10 -4.95 118.68 118.70 2jwy s LEU 137 Ca 0.59 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2jwy s LEU 137 Cb -0.15 -2.60 0.13 0.00 0.03 0.00 0.00 46.19 43.61 2jwy s LEU 137 CO 0.29 0.30 0.27 -1.58 0.23 0.00 0.00 176.35 175.87 2jwy s GLN 138 N -1.25 2.08 0.08 1.70 0.74 -1.26 -1.32 119.66 120.42 2jwy s GLN 138 Ca 0.25 -2.40 -0.30 0.00 0.05 0.00 0.00 55.36 52.96 2jwy s GLN 138 Cb -0.15 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 2jwy s GLN 138 CO 0.13 -1.10 1.07 -0.51 -0.55 0.00 0.00 175.29 174.34 2jwy s LEU 139 N 0.11 4.42 0.05 3.68 1.43 0.96 -4.90 118.68 124.43 2jwy s LEU 139 Ca 0.15 1.89 -0.07 0.00 -1.03 0.00 0.00 54.13 55.08 2jwy s LEU 139 Cb -0.23 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2jwy s LEU 139 CO -0.03 -0.28 0.32 -0.54 0.23 0.00 0.00 176.35 176.05 2jwy s LYS 140 N 0.53 3.63 -1.51 1.70 -0.14 -1.26 -0.93 119.74 121.75 2jwy s LYS 140 Ca 0.53 -0.02 -0.02 0.00 -1.36 0.00 0.00 55.97 55.10 2jwy s LYS 140 Cb -0.26 -3.01 0.01 0.00 -1.68 0.00 0.00 37.83 32.88 2jwy s LYS 140 CO 0.30 0.59 0.16 0.41 -0.76 0.00 0.00 175.35 176.06 2jwy n GLY 141 N 0.85 -0.50 3.29 -3.33 0.00 -1.25 -4.87 105.19 99.36 2jwy n GLY 141 Ca -0.08 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -2.95 -0.15 0.20 -0.61 2.07 -1.26 -5.01 121.20 113.48 2jwy s ILE 142 Ca 0.09 0.10 -0.19 0.00 -1.41 0.00 0.00 60.65 59.25 2jwy s ILE 142 Cb -0.04 -0.64 -0.08 0.00 0.13 0.00 0.00 42.46 41.83 2jwy s ILE 142 CO 0.11 0.04 0.68 -0.44 -1.91 0.00 0.00 174.94 173.43 2jwy s SER 143 N 1.66 7.02 0.22 4.50 0.01 -1.26 -2.89 113.70 122.96 2jwy s SER 143 Ca -0.08 1.34 -0.07 0.00 1.31 0.00 0.00 55.95 58.45 2jwy s SER 143 Cb -0.09 -2.39 0.34 0.00 0.21 0.00 0.00 66.02 64.09 2jwy s SER 143 CO -0.13 0.07 1.77 1.62 0.41 0.00 0.00 173.24 176.97 2jwy h VAL 144 N 2.81 0.82 0.00 3.43 3.04 -1.91 0.21 116.25 124.66 2jwy h VAL 144 Ca -0.48 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2jwy h VAL 144 Cb 1.19 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2jwy h VAL 144 CO 0.65 0.10 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.51 2jwy h ASP 145 N 0.56 0.00 -0.48 3.17 3.58 -1.98 -2.05 116.42 119.23 2jwy h ASP 145 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2jwy h ASP 145 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jwy h ASP 145 CO -0.28 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.11 2jwy n GLN 146 N -3.29 2.88 -2.07 0.28 1.13 -0.01 -4.96 117.38 111.34 2jwy n GLN 146 Ca -0.02 -2.31 -0.43 0.00 -1.94 0.00 0.00 57.00 52.30 2jwy n GLN 146 Cb 0.17 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 2jwy n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jwy s LEU 147 N -1.11 3.92 -0.20 1.08 1.43 -0.77 -4.74 118.68 118.29 2jwy s LEU 147 Ca 0.33 1.71 -0.21 0.00 -1.03 0.00 0.00 54.13 54.93 2jwy s LEU 147 Cb 0.18 -3.53 -0.20 0.00 0.03 0.00 0.00 46.19 42.67 2jwy s LEU 147 CO 0.21 -1.25 0.23 1.23 0.23 0.00 0.00 176.35 177.00 2jwy h GLY 148 N 11.69 0.02 -3.39 -3.19 0.00 -0.84 -3.45 103.07 103.90 2jwy h GLY 148 Ca -0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 2jwy h GLY 148 CO 0.99 0.04 -0.06 -0.11 0.00 0.00 0.00 176.54 177.41 2jwy s PHE 149 N -2.37 -0.27 -0.35 5.60 -0.71 -0.67 -4.60 117.98 114.61 2jwy s PHE 149 Ca -0.28 0.11 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2jwy s PHE 149 Cb 0.06 0.27 0.10 0.00 -1.21 0.00 0.00 43.02 42.24 2jwy s PHE 149 CO 0.60 -0.65 0.09 0.08 -1.34 0.00 0.00 175.22 174.00 2jwy s VAL 150 N -3.13 1.82 -0.61 -2.49 1.01 0.89 -2.43 120.40 115.45 2jwy s VAL 150 Ca -0.01 -2.12 -0.21 0.00 0.00 0.00 0.00 61.98 59.63 2jwy s VAL 150 Cb 0.00 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 34.12 2jwy s VAL 150 CO -0.07 -0.65 0.86 -0.60 0.00 0.00 0.00 175.10 174.64 2jwy s ARG 151 N 1.02 3.12 -0.11 2.72 3.52 0.36 -0.67 118.95 128.91 2jwy s ARG 151 Ca 0.11 -0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 2jwy s ARG 151 Cb -0.19 -4.20 -0.05 0.00 -1.56 0.00 0.00 34.95 28.95 2jwy s ARG 151 CO -0.13 -1.64 0.37 0.42 -0.81 0.00 0.00 175.30 173.52 2jwy s ILE 152 N 3.54 5.22 0.21 4.11 -1.09 -0.11 -0.63 121.20 132.45 2jwy s ILE 152 Ca 0.20 0.74 -0.23 0.00 -2.23 0.00 0.00 60.65 59.12 2jwy s ILE 152 Cb -0.18 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.05 2jwy s ILE 152 CO 0.10 0.41 0.90 -1.38 -1.23 0.00 0.00 174.94 173.75 2jwy s HIS 153 N 0.18 -0.08 -1.59 3.97 -3.43 -0.88 -0.83 115.29 112.63 2jwy s HIS 153 Ca 0.21 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2jwy s HIS 153 Cb -0.14 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2jwy s HIS 153 CO 0.08 -1.01 0.00 -0.25 -2.00 0.00 0.00 174.74 171.56 2jwy n ASP 154 N -0.69 -4.84 -4.56 7.38 8.00 -1.26 -1.05 116.55 119.52 2jwy n ASP 154 Ca -0.05 0.30 -0.38 0.00 0.71 0.00 0.00 54.79 55.36 2jwy n ASP 154 Cb 0.60 -3.78 -0.03 0.00 -0.02 0.00 0.00 41.12 37.89 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jwy s ILE 155 N -2.63 3.15 0.17 0.53 -1.09 -1.26 -4.31 121.20 115.76 2jwy s ILE 155 Ca 0.00 0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 2jwy s ILE 155 Cb 0.00 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2jwy s ILE 155 CO 0.00 -0.31 -0.13 0.00 -1.23 0.00 0.00 174.94 173.28 2jwy s GLN 156 N 7.51 1.17 0.53 2.79 -2.07 0.13 -0.99 119.66 128.72 2jwy s GLN 156 Ca 0.87 -1.48 -0.19 0.00 -1.82 0.00 0.00 55.36 52.75 2jwy s GLN 156 Cb -0.18 -0.87 -0.07 0.00 -1.09 0.00 0.00 33.01 30.81 2jwy s GLN 156 CO 0.26 0.14 1.07 -1.25 -1.32 0.00 0.00 175.29 174.19 2jwy s PRO 157 N -3.55 3.54 0.00 9.60 0.04 -1.26 -0.39 135.00 142.98 2jwy s PRO 157 Ca 0.18 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2jwy s PRO 157 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jwy s PRO 157 CO 0.03 -0.66 0.00 1.33 0.04 0.00 0.00 177.00 177.75 2jwy n VAL 158 N -1.30 0.00 -1.53 -0.36 0.24 -0.40 -4.80 118.33 110.18 2jwy n VAL 158 Ca 0.10 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.14 2jwy n VAL 158 Cb 0.52 -0.46 -0.12 0.00 -1.47 0.00 0.00 33.84 32.31 2jwy n VAL 158 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2jwy n MET 159 N 0.00 0.41 -4.10 7.34 0.00 -1.26 -4.91 117.12 114.61 2jwy n MET 159 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 57.70 57.15 2jwy n MET 159 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 33.22 30.65 2jwy n MET 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2jwy s GLN 160 N 8.29 2.79 0.14 3.17 0.74 -1.26 -4.99 119.66 128.54 2jwy s GLN 160 Ca 1.13 -0.88 -0.30 0.00 0.05 0.00 0.00 55.36 55.36 2jwy s GLN 160 Cb -0.55 -2.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.89 2jwy s GLN 160 CO 0.33 0.50 1.26 -0.51 -0.55 0.00 0.00 175.29 176.31 2jwy s LEU 161 N -2.90 4.40 0.40 3.68 2.01 -1.26 -5.00 118.68 120.02 2jwy s LEU 161 Ca 0.30 2.22 -0.26 0.00 0.01 0.00 0.00 54.13 56.40 2jwy s LEU 161 Cb -0.10 -3.60 -0.09 0.00 0.01 0.00 0.00 46.19 42.41 2jwy s LEU 161 CO 0.22 -0.48 1.28 -1.61 1.01 0.00 0.00 176.35 176.76 2jwy s GLU 162 N 0.43 4.02 -0.73 1.70 0.41 -1.26 -5.00 118.70 118.27 2jwy s GLU 162 Ca 0.58 2.10 0.02 0.00 -0.41 0.00 0.00 54.97 57.26 2jwy s GLU 162 Cb -0.33 -2.77 0.18 0.00 -1.78 0.00 0.00 34.13 29.42 2jwy s GLU 162 CO 0.33 -0.43 0.54 -1.01 -0.49 0.00 0.00 175.26 174.20 2jwy s HIS 163 N -1.28 3.60 -0.34 1.61 3.76 -1.26 -5.08 115.29 116.31 2jwy s HIS 163 Ca 0.56 -3.18 -0.25 0.00 -0.15 0.00 0.00 55.06 52.04 2jwy s HIS 163 Cb -0.37 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.42 2jwy s HIS 163 CO 0.47 -0.65 0.86 -3.38 -0.85 0.00 0.00 174.74 171.20 2jwy s HIS 164 N -1.16 3.14 -0.03 1.40 -3.43 -1.26 -5.04 115.29 108.91 2jwy s HIS 164 Ca 0.24 0.80 0.05 0.00 -0.80 0.00 0.00 55.06 55.34 2jwy s HIS 164 Cb -0.09 -3.44 -0.03 0.00 -1.43 0.00 0.00 32.58 27.59 2jwy s HIS 164 CO -0.12 -0.70 -0.17 -1.01 -2.00 0.00 0.00 174.74 170.74 2jwy s HIS 165 N 3.22 2.60 -0.84 0.38 3.76 -1.26 -5.06 115.29 118.09 2jwy s HIS 165 Ca 0.35 -0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.78 2jwy s HIS 165 Cb -0.13 -1.58 -0.08 0.00 1.11 0.00 0.00 32.58 31.90 2jwy s HIS 165 CO 0.15 0.14 2.12 -1.01 -0.85 0.00 0.00 174.74 175.29 2jwy s HIS 166 N -0.72 1.55 -0.14 1.40 3.76 -1.26 -4.63 115.29 115.25 2jwy s HIS 166 Ca 0.11 1.13 0.15 0.00 -0.15 0.00 0.00 55.06 56.31 2jwy s HIS 166 Cb -0.10 -3.82 0.38 0.00 1.11 0.00 0.00 32.58 30.15 2jwy s HIS 166 CO 0.01 -1.72 1.19 0.72 -0.85 0.00 0.00 174.74 174.08 2jwy n HIS 167 N 15.63 0.00 -1.45 1.40 8.25 -1.26 -5.37 115.22 132.41 2jwy n HIS 167 Ca 0.42 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 2jwy n HIS 167 Cb 0.46 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2jwy n HIS 167 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59