#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 3.23 -0.06 2.03 -7.23 -1.26 -5.13 120.40 111.99 2jwy s VAL 2 Ca 0.00 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2jwy s VAL 2 Cb 0.00 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2jwy s VAL 2 CO 0.00 0.57 -0.18 -1.10 -0.31 0.00 0.00 175.10 174.08 2jwy s GLN 3 N -0.83 2.56 0.50 4.82 -0.21 -1.26 -5.13 119.66 120.12 2jwy s GLN 3 Ca 0.12 -0.77 -0.18 0.00 0.02 0.00 0.00 55.36 54.55 2jwy s GLN 3 Cb -0.11 -2.31 -0.08 0.00 1.00 0.00 0.00 33.01 31.51 2jwy s GLN 3 CO 0.01 0.52 1.00 1.14 -2.12 0.00 0.00 175.29 175.84 2jwy s GLN 4 N -0.47 3.90 0.01 2.91 -2.07 -1.26 -5.09 119.66 117.59 2jwy s GLN 4 Ca 0.06 1.09 0.00 0.00 -1.82 0.00 0.00 55.36 54.69 2jwy s GLN 4 Cb -0.12 -2.12 -0.01 0.00 -1.09 0.00 0.00 33.01 29.67 2jwy s GLN 4 CO 0.01 -0.32 -0.02 0.45 -1.32 0.00 0.00 175.29 174.10 2jwy s SER 5 N -2.66 0.18 -1.12 12.60 0.15 -1.26 -5.09 113.70 116.50 2jwy s SER 5 Ca 0.62 -0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.91 2jwy s SER 5 Cb -0.12 0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.32 2jwy s SER 5 CO 0.26 -0.08 1.45 -1.61 1.20 0.00 0.00 173.24 174.46 2jwy s GLU 6 N -0.49 3.82 0.15 5.44 2.02 -1.26 -4.99 118.70 123.39 2jwy s GLU 6 Ca -0.05 -1.86 -0.11 0.00 0.02 0.00 0.00 54.97 52.97 2jwy s GLU 6 Cb -0.03 -5.24 -0.07 0.00 0.10 0.00 0.00 34.13 28.89 2jwy s GLU 6 CO -0.00 -2.02 0.49 0.14 0.02 0.00 0.00 175.26 173.89 2jwy s VAL 7 N 3.44 4.97 0.13 2.63 -7.23 -1.26 -5.09 120.40 117.99 2jwy s VAL 7 Ca 0.44 0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 61.05 2jwy s VAL 7 Cb -0.01 -3.67 -0.07 0.00 0.56 0.00 0.00 36.38 33.19 2jwy s VAL 7 CO -0.03 0.17 0.52 -0.13 -0.31 0.00 0.00 175.10 175.33 2jwy s ARG 8 N -2.20 3.94 0.12 4.82 3.00 -1.26 -5.10 118.95 122.27 2jwy s ARG 8 Ca 0.39 0.44 -0.01 0.00 0.00 0.00 0.00 55.73 56.55 2jwy s ARG 8 Cb -0.14 -2.94 0.03 0.00 0.00 0.00 0.00 34.95 31.90 2jwy s ARG 8 CO 0.20 0.49 0.17 0.00 0.00 0.00 0.00 175.30 176.16 2jwy n GLN 9 N 0.83 0.24 -4.20 3.54 -0.00 -1.26 -5.14 117.38 111.38 2jwy n GLN 9 Ca -0.06 -0.36 -0.17 0.00 -0.00 0.00 0.00 57.00 56.41 2jwy n GLN 9 Cb 0.52 -0.14 -0.07 0.00 -0.00 0.00 0.00 30.24 30.55 2jwy n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jwy s MET 10 N -3.04 1.73 0.34 2.61 0.23 -1.26 -5.19 119.30 114.73 2jwy s MET 10 Ca 0.10 -1.87 -0.09 0.00 -1.03 0.00 0.00 55.69 52.80 2jwy s MET 10 Cb -0.00 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2jwy s MET 10 CO 0.07 -0.66 0.59 -1.59 -2.03 0.00 0.00 175.02 171.40 2jwy s LYS 11 N -3.42 1.97 0.70 3.16 0.00 -1.26 -5.16 119.74 115.72 2jwy s LYS 11 Ca 0.37 -1.55 -0.15 0.00 0.00 0.00 0.00 55.97 54.64 2jwy s LYS 11 Cb 0.02 0.52 0.02 0.00 0.00 0.00 0.00 37.83 38.39 2jwy s LYS 11 CO 0.23 -0.86 1.17 -3.38 0.00 0.00 0.00 175.35 172.51 2jwy s HIS 12 N -2.97 2.29 0.57 1.78 -3.43 -1.26 -5.02 115.29 107.26 2jwy s HIS 12 Ca 0.24 1.58 -0.15 0.00 -0.80 0.00 0.00 55.06 55.93 2jwy s HIS 12 Cb -0.02 -3.35 -0.05 0.00 -1.43 0.00 0.00 32.58 27.73 2jwy s HIS 12 CO 0.15 -2.22 1.02 -1.54 -2.00 0.00 0.00 174.74 170.16 2jwy s SER 13 N -2.25 6.16 -0.22 7.38 1.04 -1.26 -5.07 113.70 119.48 2jwy s SER 13 Ca 0.71 1.64 -0.00 0.00 0.48 0.00 0.00 55.95 58.78 2jwy s SER 13 Cb -0.25 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 63.41 2jwy s SER 13 CO 0.43 -0.91 -0.03 -0.69 0.98 0.00 0.00 173.24 173.02 2jwy s VAL 14 N -2.69 1.26 -0.81 5.02 1.01 -1.26 -5.08 120.40 117.85 2jwy s VAL 14 Ca 0.60 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2jwy s VAL 14 Cb -0.13 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2jwy s VAL 14 CO 0.39 -0.10 1.80 -0.55 0.00 0.00 0.00 175.10 176.64 2jwy s SER 15 N 1.52 5.44 0.13 3.32 0.15 -1.26 -4.97 113.70 118.03 2jwy s SER 15 Ca -0.04 -0.44 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 2jwy s SER 15 Cb -0.18 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 2jwy s SER 15 CO -0.07 -2.40 0.70 0.42 1.20 0.00 0.00 173.24 173.09 2jwy s THR 16 N 8.77 4.51 0.28 6.45 -4.23 -1.26 -5.05 115.64 125.10 2jwy s THR 16 Ca 0.63 1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 62.37 2jwy s THR 16 Cb -0.08 -4.05 -0.10 0.00 1.34 0.00 0.00 72.50 69.62 2jwy s THR 16 CO 0.06 0.53 1.19 -0.76 -0.54 0.00 0.00 174.62 175.10 2jwy s LEU 17 N -1.12 4.49 -0.54 4.79 1.43 -1.26 -4.96 118.68 121.50 2jwy s LEU 17 Ca 0.33 2.41 -0.28 0.00 -1.03 0.00 0.00 54.13 55.56 2jwy s LEU 17 Cb -0.22 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.38 2jwy s LEU 17 CO 0.24 -0.32 1.47 0.54 0.23 0.00 0.00 176.35 178.51 2jwy s ASN 18 N -0.55 6.06 -0.80 2.29 4.22 -1.26 -4.95 114.94 119.94 2jwy s ASN 18 Ca 0.48 0.38 -0.08 0.00 -2.14 0.00 0.00 52.86 51.49 2jwy s ASN 18 Cb -0.35 -2.54 0.21 0.00 1.28 0.00 0.00 41.25 39.84 2jwy s ASN 18 CO 0.44 -1.75 0.69 -1.10 -2.04 0.00 0.00 177.10 173.34 2jwy s GLN 19 N 5.61 3.26 -0.09 3.55 -0.21 -1.26 -5.02 119.66 125.49 2jwy s GLN 19 Ca 0.56 -2.68 0.01 0.00 0.02 0.00 0.00 55.36 53.26 2jwy s GLN 19 Cb -0.12 -4.13 0.02 0.00 1.00 0.00 0.00 33.01 29.78 2jwy s GLN 19 CO 0.25 -1.24 -0.11 -2.00 -2.12 0.00 0.00 175.29 170.07 2jwy s GLU 20 N -0.28 1.74 -0.49 2.91 2.56 -1.26 -5.12 118.70 118.76 2jwy s GLU 20 Ca 0.20 -0.38 -0.17 0.00 0.00 0.00 0.00 54.97 54.62 2jwy s GLU 20 Cb -0.13 -1.58 0.07 0.00 2.00 0.00 0.00 34.13 34.48 2jwy s GLU 20 CO -0.07 -0.11 0.50 0.00 -0.56 0.00 0.00 175.26 175.02 2jwy s MET 21 N 1.15 3.04 1.13 4.30 0.23 -1.26 -5.03 119.30 122.87 2jwy s MET 21 Ca -0.05 -1.15 0.00 0.00 -1.03 0.00 0.00 55.69 53.46 2jwy s MET 21 Cb -0.14 -4.12 0.00 0.00 -1.53 0.00 0.00 34.83 29.04 2jwy s MET 21 CO -0.02 -1.12 0.00 0.25 -2.03 0.00 0.00 175.02 172.09 2jwy n THR 22 N 5.39 0.00 -2.21 3.16 -2.24 -1.26 -4.81 114.28 112.31 2jwy n THR 22 Ca -0.10 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 2jwy n THR 22 Cb 0.44 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.00 2.98 0.11 -0.78 -0.21 -1.26 -5.12 119.66 115.39 2jwy s GLN 23 Ca 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.59 2jwy s GLN 23 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 2jwy s GLN 23 CO 0.00 -0.77 0.02 -1.17 -2.12 0.00 0.00 175.29 171.25 2jwy s LEU 24 N -5.11 2.07 -0.19 2.90 2.96 -1.26 -5.11 118.68 114.94 2jwy s LEU 24 Ca 0.55 -1.13 -0.39 0.00 -0.22 0.00 0.00 54.13 52.94 2jwy s LEU 24 Cb -0.11 0.21 -0.15 0.00 0.50 0.00 0.00 46.19 46.64 2jwy s LEU 24 CO 0.48 -0.66 1.70 0.59 -1.32 0.00 0.00 176.35 177.15 2jwy n ASN 25 N -0.04 2.45 -0.27 3.68 4.13 -1.26 -4.69 115.26 119.25 2jwy n ASN 25 Ca -0.09 1.07 0.06 0.00 1.68 0.00 0.00 54.58 57.30 2jwy n ASN 25 Cb 0.63 -1.19 0.17 0.00 -1.54 0.00 0.00 39.78 37.85 2jwy n ASN 25 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2jwy h GLN 26 N 7.09 0.08 0.15 3.52 7.50 -1.99 0.46 115.11 131.92 2jwy h GLN 26 Ca -0.47 -0.00 0.02 0.00 0.50 0.00 0.00 58.65 58.69 2jwy h GLN 26 Cb 1.31 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.79 2jwy h GLN 26 CO 0.93 0.05 -0.29 1.49 -1.50 0.00 0.00 178.83 179.52 2jwy h GLU 27 N 0.08 -0.50 0.00 1.46 4.81 -1.89 -1.95 114.58 116.60 2jwy h GLU 27 Ca 0.44 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2jwy h GLU 27 Cb 0.79 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 2jwy h GLU 27 CO -0.72 -0.34 -0.03 1.15 -0.73 0.00 0.00 179.01 178.34 2jwy h THR 28 N -0.52 0.13 -0.11 0.32 2.02 -0.90 -0.93 112.91 112.92 2jwy h THR 28 Ca 0.02 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2jwy h THR 28 Cb 0.54 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jwy h THR 28 CO -0.15 0.03 -0.04 0.58 0.37 0.00 0.00 175.52 176.31 2jwy h VAL 29 N 0.00 1.31 -0.56 3.16 2.07 0.27 0.64 116.25 123.14 2jwy h VAL 29 Ca -0.00 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2jwy h VAL 29 Cb 0.32 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2jwy h VAL 29 CO 0.00 0.30 0.17 0.50 0.02 0.00 0.00 177.57 178.56 2jwy h LYS 30 N -0.11 0.83 0.02 1.57 1.63 -0.62 -1.44 116.57 118.45 2jwy h LYS 30 Ca 0.03 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2jwy h LYS 30 Cb 0.48 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2jwy h LYS 30 CO 0.01 0.73 -0.03 0.82 -3.45 0.00 0.00 179.45 177.53 2jwy h ILE 31 N 0.81 0.94 -0.88 2.00 2.04 -1.13 -1.35 117.51 119.94 2jwy h ILE 31 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2jwy h ILE 31 Cb 0.25 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2jwy h ILE 31 CO -0.01 0.00 0.51 0.74 0.00 0.00 0.00 178.15 179.40 2jwy h THR 32 N -0.05 0.88 -0.50 -0.27 2.02 -0.38 -0.34 112.91 114.26 2jwy h THR 32 Ca 0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2jwy h THR 32 Cb 0.06 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 2jwy h THR 32 CO -0.01 0.15 0.26 -0.61 0.37 0.00 0.00 175.52 175.68 2jwy h GLN 33 N 0.82 0.70 -0.93 6.66 4.15 -1.08 -2.67 115.11 122.76 2jwy h GLN 33 Ca 0.44 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.84 2jwy h GLN 33 Cb 0.46 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.95 2jwy h GLN 33 CO -0.28 0.56 0.59 0.37 -1.93 0.00 0.00 178.83 178.15 2jwy h GLN 34 N 0.66 1.02 -0.09 1.69 4.15 0.05 0.40 115.11 122.98 2jwy h GLN 34 Ca 0.17 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.55 2jwy h GLN 34 Cb 0.08 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2jwy h GLN 34 CO -0.03 0.68 -0.04 -0.91 -1.93 0.00 0.00 178.83 176.60 2jwy h ASN 35 N 1.05 -0.14 -0.66 -0.69 2.35 -0.98 0.26 115.58 116.77 2jwy h ASN 35 Ca 0.41 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.16 2jwy h ASN 35 Cb 0.21 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2jwy h ASN 35 CO -0.19 -0.06 0.26 0.03 -1.65 0.00 0.00 177.43 175.82 2jwy h ARG 36 N -0.03 1.00 -0.50 0.81 3.08 -1.05 -1.83 114.38 115.86 2jwy h ARG 36 Ca 0.05 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2jwy h ARG 36 Cb 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2jwy h ARG 36 CO -0.12 0.83 0.15 -0.07 -1.07 0.00 0.00 179.97 179.70 2jwy h LEU 37 N 0.94 0.68 -1.82 3.04 3.38 -0.76 -2.17 115.31 118.60 2jwy h LEU 37 Ca 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jwy h LEU 37 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jwy h LEU 37 CO -0.02 0.65 -0.12 -1.13 0.09 0.00 0.00 178.44 177.92 2jwy h ASN 38 N 0.72 0.00 -0.10 -0.43 -0.73 0.32 0.72 115.58 116.09 2jwy h ASN 38 Ca 0.17 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.15 2jwy h ASN 38 Cb 0.22 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 2jwy h ASN 38 CO -0.01 0.12 -0.61 0.00 -0.37 0.00 0.00 177.43 176.56 2jwy h ALA 39 N 1.88 0.53 -0.53 1.57 0.00 -0.77 -3.17 119.26 118.78 2jwy h ALA 39 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jwy h ALA 39 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jwy h ALA 39 CO 0.02 0.69 0.00 1.63 0.00 0.00 0.00 179.25 181.59 2jwy n LYS 40 N -3.96 2.67 -1.93 0.00 5.02 -0.45 -4.86 118.16 114.65 2jwy n LYS 40 Ca -0.04 -2.10 -0.23 0.00 -2.02 0.00 0.00 58.31 53.91 2jwy n LYS 40 Cb 0.65 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2jwy n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwy s SER 41 N -0.91 4.79 0.01 4.39 0.15 0.24 -4.83 113.70 117.54 2jwy s SER 41 Ca 0.38 -0.65 -0.25 0.00 0.70 0.00 0.00 55.95 56.14 2jwy s SER 41 Cb 0.22 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.82 2jwy s SER 41 CO 0.23 -3.11 1.14 -1.28 1.20 0.00 0.00 173.24 171.42 2jwy h SER 42 N 11.42 -0.51 -3.00 5.45 0.87 -1.89 -3.43 113.55 122.46 2jwy h SER 42 Ca 0.09 -0.10 -0.51 0.00 -1.23 0.00 0.00 61.79 60.04 2jwy h SER 42 Cb 1.00 0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 62.68 2jwy h SER 42 CO 1.16 -0.13 -0.76 -0.94 -0.53 0.00 0.00 176.83 175.62 2jwy s SER 43 N -4.86 3.08 0.00 6.23 1.04 -1.26 -5.08 113.70 112.85 2jwy s SER 43 Ca -0.14 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2jwy s SER 43 Cb 0.02 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2jwy s SER 43 CO 0.48 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2jwy n GLY 44 N 5.18 0.15 3.84 7.32 0.00 -1.26 -4.82 105.19 115.61 2jwy n GLY 44 Ca -0.06 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.81 4.68 -0.36 1.61 -7.23 -0.57 -4.74 120.40 111.98 2jwy s VAL 45 Ca 0.00 0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 60.99 2jwy s VAL 45 Cb 0.00 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.26 2jwy s VAL 45 CO 0.00 -0.06 0.45 -0.31 -0.31 0.00 0.00 175.10 174.87 2jwy s TYR 46 N -1.84 3.18 -0.45 2.82 1.51 -1.26 -0.72 117.35 120.60 2jwy s TYR 46 Ca 0.50 0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 56.48 2jwy s TYR 46 Cb -0.12 -2.84 0.09 0.00 -0.11 0.00 0.00 41.96 38.97 2jwy s TYR 46 CO 0.19 -0.53 0.32 -0.51 -1.11 0.00 0.00 175.55 173.90 2jwy s LEU 47 N 2.24 5.41 -0.19 -1.29 1.43 0.34 -4.90 118.68 121.71 2jwy s LEU 47 Ca 0.15 -1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 51.42 2jwy s LEU 47 Cb -0.16 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2jwy s LEU 47 CO 0.13 -0.61 0.93 -0.76 0.23 0.00 0.00 176.35 176.27 2jwy s LEU 48 N 1.47 4.14 0.47 1.79 1.02 -1.26 0.17 118.68 126.47 2jwy s LEU 48 Ca 0.04 1.27 0.19 0.00 0.02 0.00 0.00 54.13 55.64 2jwy s LEU 48 Cb -0.24 -3.38 1.17 0.00 0.02 0.00 0.00 46.19 43.76 2jwy s LEU 48 CO 0.02 -0.52 1.96 -0.65 0.02 0.00 0.00 176.35 177.19 2jwy h PRO 49 N 7.41 0.26 -0.32 1.29 0.11 -1.79 0.17 132.00 139.12 2jwy h PRO 49 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jwy h PRO 49 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jwy h PRO 49 CO 0.89 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 179.26 2jwy n GLY 50 N -1.56 0.34 3.41 -0.55 0.00 -1.26 -4.84 105.19 100.72 2jwy n GLY 50 Ca 0.12 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2jwy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwy s ALA 51 N -1.67 2.75 -0.12 4.61 0.00 0.59 -4.58 121.76 123.33 2jwy s ALA 51 Ca 0.16 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2jwy s ALA 51 Cb 0.09 -1.34 0.15 0.00 0.00 0.00 0.00 23.12 22.02 2jwy s ALA 51 CO 0.10 0.21 1.41 1.17 0.00 0.00 0.00 175.76 178.65 2jwy n LYS 52 N 3.57 1.33 -4.67 0.00 4.81 -1.26 -4.84 118.16 117.10 2jwy n LYS 52 Ca -0.18 -0.75 -0.24 0.00 -0.87 0.00 0.00 58.31 56.27 2jwy n LYS 52 Cb 0.53 -1.29 -0.16 0.00 0.02 0.00 0.00 35.03 34.12 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 -0.89 1.21 0.98 3.15 -4.23 -1.26 -5.14 115.64 109.46 2jwy s THR 53 Ca 0.14 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.92 2jwy s THR 53 Cb 0.12 -1.06 0.21 0.00 1.34 0.00 0.00 72.50 73.11 2jwy s THR 53 CO 0.02 0.36 1.34 -2.16 -0.54 0.00 0.00 174.62 173.63 2jwy s PRO 54 N 0.25 0.49 -0.08 3.99 0.04 -1.26 -4.81 135.00 133.62 2jwy s PRO 54 Ca -0.07 -0.50 -0.05 0.00 0.04 0.00 0.00 61.00 60.42 2jwy s PRO 54 Cb -0.12 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2jwy s PRO 54 CO 0.02 -2.50 0.20 0.00 0.04 0.00 0.00 177.00 174.76 2jwy s ALA 55 N -3.92 -0.45 -0.19 8.56 0.00 -0.29 -4.99 121.76 120.49 2jwy s ALA 55 Ca 0.75 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 2jwy s ALA 55 Cb -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2jwy s ALA 55 CO 0.53 -0.14 0.51 0.50 0.00 0.00 0.00 175.76 177.17 2jwy s ARG 56 N 0.69 4.21 -0.03 0.00 3.52 -1.26 -0.75 118.95 125.32 2jwy s ARG 56 Ca -0.05 0.41 0.07 0.00 -0.13 0.00 0.00 55.73 56.03 2jwy s ARG 56 Cb -0.06 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2jwy s ARG 56 CO -0.04 -0.11 -0.25 -1.17 -0.81 0.00 0.00 175.30 172.92 2jwy s LEU 57 N 1.51 2.05 -0.30 -0.88 2.96 0.55 -4.97 118.68 119.60 2jwy s LEU 57 Ca 0.24 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 2jwy s LEU 57 Cb -0.15 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.23 2jwy s LEU 57 CO 0.10 0.28 0.96 -0.70 -1.32 0.00 0.00 176.35 175.67 2jwy s GLU 58 N -0.43 4.05 0.46 1.98 2.12 -1.26 -2.14 118.70 123.48 2jwy s GLU 58 Ca 0.05 0.92 0.05 0.00 0.36 0.00 0.00 54.97 56.35 2jwy s GLU 58 Cb -0.11 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 2jwy s GLU 58 CO 0.01 -0.78 0.07 -1.54 -0.54 0.00 0.00 175.26 172.47 2jwy s SER 59 N 1.59 4.13 0.00 -1.70 1.04 -0.24 -4.94 113.70 113.58 2jwy s SER 59 Ca 0.40 -1.42 0.26 0.00 0.48 0.00 0.00 55.95 55.68 2jwy s SER 59 Cb -0.13 0.01 1.58 0.00 0.10 0.00 0.00 66.02 67.57 2jwy s SER 59 CO 0.13 -0.67 1.99 0.00 0.98 0.00 0.00 173.24 175.67 2jwy n GLN 60 N -1.19 0.96 -0.08 4.02 6.02 -0.36 -2.99 117.38 123.76 2jwy n GLN 60 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 2jwy n GLN 60 Cb 0.66 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.93 1.05 -2.49 5.09 -5.35 -1.26 -4.67 119.36 110.80 2jwy n ILE 61 Ca 0.20 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2jwy n ILE 61 Cb 0.09 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.16 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 2.29 -0.52 3.65 3.28 0.00 -1.16 -4.99 105.19 107.74 2jwy n GLY 62 Ca -0.28 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.35 5.30 0.27 2.61 2.01 -1.26 -1.07 115.64 120.15 2jwy s THR 63 Ca 0.00 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.35 2jwy s THR 63 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2jwy s THR 63 CO 0.00 0.30 0.10 -1.48 -0.69 0.00 0.00 174.62 172.85 2jwy s LEU 64 N 1.24 1.69 -0.13 4.42 0.05 -0.91 -0.77 118.68 124.28 2jwy s LEU 64 Ca 0.11 -1.41 -0.02 0.00 0.05 0.00 0.00 54.13 52.86 2jwy s LEU 64 Cb -0.14 0.01 0.04 0.00 -2.05 0.00 0.00 46.19 44.05 2jwy s LEU 64 CO 0.06 -0.75 0.00 -0.60 -0.55 0.00 0.00 176.35 174.52 2jwy s ARG 65 N -3.99 0.76 0.18 1.48 3.52 0.14 -0.33 118.95 120.70 2jwy s ARG 65 Ca 0.37 -0.15 0.06 0.00 -0.13 0.00 0.00 55.73 55.88 2jwy s ARG 65 Cb 0.07 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 2jwy s ARG 65 CO 0.14 -0.43 0.10 -1.64 -0.81 0.00 0.00 175.30 172.66 2jwy s MET 66 N 1.89 2.74 0.09 5.12 -1.94 0.07 -0.39 119.30 126.88 2jwy s MET 66 Ca 0.03 -0.97 -0.19 0.00 -1.71 0.00 0.00 55.69 52.85 2jwy s MET 66 Cb -0.14 -2.54 0.04 0.00 2.01 0.00 0.00 34.83 34.20 2jwy s MET 66 CO -0.07 0.47 0.45 -1.54 -0.01 0.00 0.00 175.02 174.32 2jwy s SER 67 N -3.12 -0.32 -0.21 3.03 1.04 -0.64 -1.14 113.70 112.34 2jwy s SER 67 Ca 0.30 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 2jwy s SER 67 Cb -0.10 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2jwy s SER 67 CO 0.22 -0.80 0.09 -0.76 0.98 0.00 0.00 173.24 172.97 2jwy s LEU 68 N -2.45 3.77 0.21 2.42 1.43 -1.26 -1.36 118.68 121.44 2jwy s LEU 68 Ca -0.01 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2jwy s LEU 68 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2jwy s LEU 68 CO -0.08 0.09 0.10 0.68 0.23 0.00 0.00 176.35 177.37 2jwy s VAL 69 N 0.89 0.26 -1.51 -1.59 -7.23 -0.83 -4.87 120.40 105.53 2jwy s VAL 69 Ca 0.05 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2jwy s VAL 69 Cb -0.14 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2jwy s VAL 69 CO 0.03 -0.08 0.00 0.59 -0.31 0.00 0.00 175.10 175.32 2jwy n ASN 70 N -0.32 -4.67 -4.61 4.85 3.02 -1.26 0.12 115.26 112.39 2jwy n ASN 70 Ca -0.00 0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 2jwy n ASN 70 Cb 0.66 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 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 -2.67 3.04 0.07 2.41 1.01 -1.26 -4.26 121.20 119.54 2jwy s ILE 71 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2jwy s ILE 71 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2jwy s ILE 71 CO 0.00 -0.03 -0.10 0.42 0.00 0.00 0.00 174.94 175.23 2jwy s THR 72 N 7.54 0.81 -0.11 2.92 -4.23 0.42 -4.98 115.64 118.01 2jwy s THR 72 Ca 0.97 -1.32 -0.29 0.00 -1.18 0.00 0.00 61.69 59.86 2jwy s THR 72 Cb -0.34 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2jwy s THR 72 CO 0.36 -0.41 1.60 -2.16 -0.54 0.00 0.00 174.62 173.47 2jwy s PRO 73 N -2.03 4.09 0.32 3.99 0.04 -1.26 -0.60 135.00 139.55 2jwy s PRO 73 Ca -0.03 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2jwy s PRO 73 Cb -0.07 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 2jwy s PRO 73 CO 0.01 -0.94 0.45 0.34 0.04 0.00 0.00 177.00 176.90 2jwy s ASP 74 N 3.40 5.97 0.18 6.66 2.15 0.42 -4.76 116.67 130.69 2jwy s ASP 74 Ca 0.71 -0.18 -0.13 0.00 0.43 0.00 0.00 52.55 53.38 2jwy s ASP 74 Cb -0.30 -1.29 0.11 0.00 -0.30 0.00 0.00 42.92 41.14 2jwy s ASP 74 CO 0.27 -0.38 1.83 0.00 -0.17 0.00 0.00 175.17 176.72 2jwy h ALA 75 N 0.95 0.73 0.16 3.66 0.00 -1.95 -3.17 119.26 119.63 2jwy h ALA 75 Ca -0.46 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 2jwy h ALA 75 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jwy h ALA 75 CO 0.54 0.10 -1.64 -0.44 0.00 0.00 0.00 179.25 177.81 2jwy h ASP 76 N 0.72 0.53 0.00 0.00 3.32 -1.96 -3.49 116.42 115.53 2jwy h ASP 76 Ca 0.22 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.36 2jwy h ASP 76 Cb -0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2jwy h ASP 76 CO -0.08 1.73 0.00 0.61 -1.72 0.00 0.00 179.24 179.79 2jwy n GLY 77 N 1.83 -0.65 2.85 2.75 0.00 -1.05 -0.77 105.19 110.16 2jwy n GLY 77 Ca -0.25 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 0.44 -0.27 -0.29 2.61 2.01 0.28 -0.44 115.64 119.98 2jwy s THR 78 Ca 0.00 0.34 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 2jwy s THR 78 Cb 0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2jwy s THR 78 CO 0.00 0.14 0.34 0.42 -0.69 0.00 0.00 174.62 174.83 2jwy s THR 79 N 2.26 5.20 0.10 -0.82 -4.23 0.23 -0.63 115.64 117.75 2jwy s THR 79 Ca 0.03 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 2jwy s THR 79 Cb -0.12 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 2jwy s THR 79 CO -0.06 0.10 0.05 0.00 -0.54 0.00 0.00 174.62 174.17 2jwy n LEU 80 N 5.30 0.00 -3.84 4.79 -0.00 -0.10 -0.43 117.00 122.72 2jwy n LEU 80 Ca -0.10 -0.81 -0.29 0.00 -0.00 0.00 0.00 56.01 54.82 2jwy n LEU 80 Cb 0.51 0.31 -0.16 0.00 -0.00 0.00 0.00 43.42 44.07 2jwy n LEU 80 CO 0.37 -0.13 -0.40 -0.89 -0.00 0.00 0.00 177.39 176.35 2jwy s THR 81 N -2.03 1.02 -0.40 1.47 2.01 0.12 -0.28 115.64 117.54 2jwy s THR 81 Ca 0.07 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 2jwy s THR 81 Cb 0.00 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2jwy s THR 81 CO 0.05 -0.10 0.96 -0.22 -0.69 0.00 0.00 174.62 174.61 2jwy s LEU 82 N 1.64 3.96 -0.21 4.42 1.98 0.69 -1.96 118.68 129.20 2jwy s LEU 82 Ca -0.03 0.47 -0.16 0.00 -2.89 0.00 0.00 54.13 51.52 2jwy s LEU 82 Cb -0.17 -3.29 -0.04 0.00 0.66 0.00 0.00 46.19 43.35 2jwy s LEU 82 CO -0.07 -0.95 0.42 -0.13 -1.89 0.00 0.00 176.35 173.73 2jwy s ARG 83 N 3.66 4.17 -0.50 1.98 0.52 -0.46 -1.00 118.95 127.31 2jwy s ARG 83 Ca 0.39 0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.78 2jwy s ARG 83 Cb -0.11 -3.55 0.13 0.00 0.52 0.00 0.00 34.95 31.94 2jwy s ARG 83 CO 0.22 -0.08 0.33 0.42 0.02 0.00 0.00 175.30 176.22 2jwy s ILE 84 N 1.42 3.79 -0.46 1.52 1.09 0.16 -1.62 121.20 127.11 2jwy s ILE 84 Ca 0.20 -2.20 -0.18 0.00 -1.10 0.00 0.00 60.65 57.36 2jwy s ILE 84 Cb -0.15 -3.52 0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2jwy s ILE 84 CO 0.08 -0.78 0.54 -1.58 -0.10 0.00 0.00 174.94 173.10 2jwy s GLN 85 N 0.88 3.13 0.30 2.79 -0.44 0.48 -0.59 119.66 126.21 2jwy s GLN 85 Ca 0.10 -0.78 -0.29 0.00 -2.50 0.00 0.00 55.36 51.89 2jwy s GLN 85 Cb -0.23 -4.02 -0.10 0.00 -1.64 0.00 0.00 33.01 27.02 2jwy s GLN 85 CO -0.03 -1.02 1.16 0.20 0.50 0.00 0.00 175.29 176.09 2jwy s GLY 86 N 2.21 3.04 0.45 2.59 0.00 -0.19 0.28 107.32 115.70 2jwy s GLY 86 Ca 0.14 1.00 0.25 0.00 0.00 0.00 0.00 44.72 46.11 2jwy s GLY 86 CO 0.13 1.61 1.73 -2.09 0.00 0.00 0.00 173.10 174.48 2jwy h GLU 87 N 3.65 0.00 -6.27 2.90 4.81 -1.26 -3.42 114.58 114.99 2jwy h GLU 87 Ca -0.47 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.21 2jwy h GLU 87 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2jwy h GLU 87 CO 0.66 0.11 1.17 -1.12 -0.73 0.00 0.00 179.01 179.10 2jwy s SER 88 N -6.10 6.46 0.21 1.04 0.01 -1.24 -4.87 113.70 109.23 2jwy s SER 88 Ca 0.04 2.25 0.23 0.00 1.31 0.00 0.00 55.95 59.78 2jwy s SER 88 Cb 0.07 -2.53 0.92 0.00 0.21 0.00 0.00 66.02 64.69 2jwy s SER 88 CO 0.64 -1.10 1.70 0.59 0.41 0.00 0.00 173.24 175.49 2jwy n ASN 89 N 7.81 0.60 -4.91 2.44 3.02 -1.26 -4.43 115.26 118.54 2jwy n ASN 89 Ca 0.19 0.63 -0.32 0.00 -0.03 0.00 0.00 54.58 55.06 2jwy n ASN 89 Cb 0.43 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 2jwy n ASN 89 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2jwy s ASP 90 N -4.12 6.43 0.29 6.41 -4.77 -1.26 -4.84 116.67 114.80 2jwy s ASP 90 Ca 0.06 0.43 -0.29 0.00 -3.30 0.00 0.00 52.55 49.45 2jwy s ASP 90 Cb 0.10 -2.03 -0.10 0.00 -1.09 0.00 0.00 42.92 39.80 2jwy s ASP 90 CO 0.42 0.13 1.39 -2.84 0.70 0.00 0.00 175.17 174.96 2jwy s PRO 91 N -2.49 4.29 0.22 2.11 0.02 -1.26 -4.84 135.00 133.04 2jwy s PRO 91 Ca 0.37 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.73 2jwy s PRO 91 Cb -0.13 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 2jwy s PRO 91 CO 0.25 -0.33 0.22 -0.51 -0.33 0.00 0.00 177.00 176.30 2jwy s LEU 92 N -1.07 3.95 0.00 -5.54 1.43 -0.21 -4.90 118.68 112.35 2jwy s LEU 92 Ca 0.55 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2jwy s LEU 92 Cb -0.41 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2jwy s LEU 92 CO 0.49 -0.01 0.00 -0.81 0.23 0.00 0.00 176.35 176.24 2jwy n PRO 93 N -0.98 0.15 -2.57 1.29 -0.04 -1.26 -0.95 135.00 130.64 2jwy n PRO 93 Ca -0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 2jwy n PRO 93 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2jwy n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwy s ALA 94 N -3.35 3.25 0.14 0.55 0.00 -1.26 -2.68 121.76 118.41 2jwy s ALA 94 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 2jwy s ALA 94 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2jwy s ALA 94 CO 0.00 -0.21 0.33 -0.59 0.00 0.00 0.00 175.76 175.29 2jwy s PHE 95 N -2.60 0.12 0.04 0.00 -0.71 -1.15 -0.81 117.98 112.87 2jwy s PHE 95 Ca 0.53 -0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 55.69 2jwy s PHE 95 Cb -0.10 0.09 0.06 0.00 -1.21 0.00 0.00 43.02 41.86 2jwy s PHE 95 CO 0.36 -0.71 0.57 -1.54 -1.34 0.00 0.00 175.22 172.56 2jwy s SER 96 N -2.89 -0.51 0.15 1.98 1.04 0.79 -0.88 113.70 113.38 2jwy s SER 96 Ca 0.10 0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 2jwy s SER 96 Cb 0.03 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2jwy s SER 96 CO -0.06 -0.73 0.48 0.61 0.98 0.00 0.00 173.24 174.53 2jwy n GLY 97 N 0.42 1.19 3.59 7.32 0.00 0.03 0.01 105.19 117.74 2jwy n GLY 97 Ca -0.18 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.41 3.60 -0.09 2.61 2.01 0.62 -0.71 115.64 121.27 2jwy s THR 98 Ca 0.10 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2jwy s THR 98 Cb -0.02 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.91 2jwy s THR 98 CO 0.05 0.33 -0.18 0.54 -0.69 0.00 0.00 174.62 174.67 2jwy s VAL 99 N -1.05 1.62 -0.41 3.82 0.11 -0.06 -1.02 120.40 123.42 2jwy s VAL 99 Ca 0.18 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 2jwy s VAL 99 Cb -0.11 -1.44 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 2jwy s VAL 99 CO 0.09 0.46 0.37 -1.61 -3.33 0.00 0.00 175.10 171.09 2jwy s GLU 100 N 0.61 3.07 -0.18 1.54 0.41 0.29 -1.94 118.70 122.49 2jwy s GLU 100 Ca -0.14 -0.85 0.01 0.00 -0.41 0.00 0.00 54.97 53.57 2jwy s GLU 100 Cb -0.16 -3.96 0.03 0.00 -1.78 0.00 0.00 34.13 28.25 2jwy s GLU 100 CO 0.05 -0.79 -0.16 1.52 -0.49 0.00 0.00 175.26 175.39 2jwy s TYR 101 N 1.93 2.63 0.00 1.61 1.13 -0.03 -0.30 117.35 124.32 2jwy s TYR 101 Ca 0.09 -1.61 0.00 0.00 -1.41 0.00 0.00 57.07 54.14 2jwy s TYR 101 Cb -0.18 -1.80 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 2jwy s TYR 101 CO 0.12 -0.77 0.00 0.41 -2.51 0.00 0.00 175.55 172.80 2jwy n GLY 102 N 4.65 3.45 3.38 5.49 0.00 -1.06 -0.74 105.19 120.36 2jwy n GLY 102 Ca -0.18 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 1.66 1.76 -0.38 1.61 -0.21 0.62 0.02 119.66 124.73 2jwy s GLN 103 Ca 0.00 -1.14 -0.05 0.00 0.02 0.00 0.00 55.36 54.19 2jwy s GLN 103 Cb 0.00 -2.00 0.08 0.00 1.00 0.00 0.00 33.01 32.09 2jwy s GLN 103 CO 0.00 0.50 0.17 0.42 -2.12 0.00 0.00 175.29 174.26 2jwy s ILE 104 N -0.88 3.59 -0.86 1.08 1.01 -1.26 -1.71 121.20 122.17 2jwy s ILE 104 Ca 0.13 -1.60 0.25 0.00 0.00 0.00 0.00 60.65 59.42 2jwy s ILE 104 Cb -0.10 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.15 2jwy s ILE 104 CO 0.04 -0.46 1.38 0.00 0.00 0.00 0.00 174.94 175.90 2jwy n GLN 105 N 4.73 0.11 -1.52 2.79 10.64 -1.25 -4.98 117.38 127.91 2jwy n GLN 105 Ca -0.08 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2jwy n GLN 105 Cb 0.43 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N 1.44 4.02 2.66 2.61 0.00 -1.26 -4.95 105.19 109.71 2jwy n GLY 106 Ca 0.05 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.21 0.00 0.16 2.61 -2.24 0.89 -4.74 114.28 110.75 2jwy n THR 107 Ca 0.00 -1.07 0.03 0.00 -2.27 0.00 0.00 64.05 60.74 2jwy n THR 107 Cb 0.00 -1.06 0.21 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.56 1.04 0.04 2.28 1.08 -1.99 -2.59 117.51 116.80 2jwy h ILE 108 Ca -0.23 -1.92 -0.24 0.00 -0.39 0.00 0.00 64.86 62.08 2jwy h ILE 108 Cb 0.84 2.14 0.01 0.00 -3.07 0.00 0.00 36.82 36.73 2jwy h ILE 108 CO 0.24 0.48 -1.03 0.44 -0.69 0.00 0.00 178.15 177.60 2jwy h ASP 109 N 0.00 0.54 -2.25 1.72 5.19 -2.02 -3.43 116.42 116.18 2jwy h ASP 109 Ca -0.00 -0.47 -0.39 0.00 -0.62 0.00 0.00 57.03 55.55 2jwy h ASP 109 Cb 1.10 -0.17 -0.34 0.00 0.18 0.00 0.00 39.33 40.10 2jwy h ASP 109 CO 0.06 1.29 -0.68 0.54 -3.12 0.00 0.00 179.24 177.33 2jwy s ASN 110 N -7.13 1.98 0.13 6.45 4.22 -1.15 -5.14 114.94 114.29 2jwy s ASN 110 Ca -0.06 -1.11 0.10 0.00 -2.14 0.00 0.00 52.86 49.65 2jwy s ASN 110 Cb 0.08 0.31 -0.04 0.00 1.28 0.00 0.00 41.25 42.89 2jwy s ASN 110 CO 0.88 -0.37 -0.23 0.72 -2.04 0.00 0.00 177.10 176.06 2jwy s PHE 111 N 2.05 2.04 -0.12 1.54 -0.71 -0.99 -0.08 117.98 121.71 2jwy s PHE 111 Ca 0.11 -0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 55.59 2jwy s PHE 111 Cb -0.15 -1.08 0.03 0.00 -1.21 0.00 0.00 43.02 40.61 2jwy s PHE 111 CO -0.26 0.31 -0.03 -0.65 -1.34 0.00 0.00 175.22 173.26 2jwy s GLN 112 N -2.18 1.05 -0.44 1.99 -0.21 -1.26 -4.93 119.66 113.68 2jwy s GLN 112 Ca 0.12 -0.19 -0.28 0.00 0.02 0.00 0.00 55.36 55.03 2jwy s GLN 112 Cb -0.09 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.42 2jwy s GLN 112 CO 0.06 -0.36 1.55 -1.21 -2.12 0.00 0.00 175.29 173.21 2jwy s GLU 113 N 1.81 3.38 0.14 2.91 8.01 -1.26 -3.77 118.70 129.93 2jwy s GLU 113 Ca 0.03 0.94 0.08 0.00 0.01 0.00 0.00 54.97 56.03 2jwy s GLU 113 Cb -0.14 -4.12 -0.04 0.00 -4.31 0.00 0.00 34.13 25.52 2jwy s GLU 113 CO -0.07 -1.82 -0.09 0.96 0.01 0.00 0.00 175.26 174.26 2jwy s ILE 114 N 6.25 3.32 -1.54 -1.63 -4.36 -0.69 -4.65 121.20 117.89 2jwy s ILE 114 Ca 0.65 -1.45 -0.03 0.00 -0.26 0.00 0.00 60.65 59.55 2jwy s ILE 114 Cb -0.15 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.97 2jwy s ILE 114 CO 0.30 -0.00 0.32 0.59 0.24 0.00 0.00 174.94 176.39 2jwy n ASN 115 N 0.34 -5.51 -4.67 4.36 3.02 -1.26 -0.28 115.26 111.27 2jwy n ASN 115 Ca -0.12 -0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 53.89 2jwy n ASN 115 Cb 0.54 -4.53 -0.07 0.00 -0.61 0.00 0.00 39.78 35.11 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 -3.04 5.15 0.23 2.41 0.11 -1.26 -4.34 120.40 119.67 2jwy s VAL 116 Ca 0.18 0.84 0.10 0.00 -2.93 0.00 0.00 61.98 60.16 2jwy s VAL 116 Cb -0.08 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2jwy s VAL 116 CO 0.22 0.21 -0.08 -1.10 -3.33 0.00 0.00 175.10 171.03 2jwy s GLN 117 N 1.47 2.08 0.16 1.54 1.11 0.09 -4.91 119.66 121.20 2jwy s GLN 117 Ca 0.22 -1.41 0.08 0.00 0.01 0.00 0.00 55.36 54.25 2jwy s GLN 117 Cb -0.15 -2.09 -0.04 0.00 -1.01 0.00 0.00 33.01 29.72 2jwy s GLN 117 CO 0.09 0.39 -0.05 0.54 0.01 0.00 0.00 175.29 176.27 2jwy s ASN 118 N -3.27 4.56 0.03 5.90 2.20 -1.26 -0.85 114.94 122.26 2jwy s ASN 118 Ca 0.28 -0.45 -0.19 0.00 -0.94 0.00 0.00 52.86 51.57 2jwy s ASN 118 Cb -0.07 -0.90 0.04 0.00 -2.00 0.00 0.00 41.25 38.31 2jwy s ASN 118 CO 0.17 0.11 0.42 -1.58 -2.94 0.00 0.00 177.10 173.28 2jwy s GLN 119 N -2.78 0.91 -0.22 3.55 0.74 -0.82 -4.95 119.66 116.09 2jwy s GLN 119 Ca 0.26 -0.31 -0.18 0.00 0.05 0.00 0.00 55.36 55.18 2jwy s GLN 119 Cb -0.09 0.41 -0.03 0.00 1.10 0.00 0.00 33.01 34.39 2jwy s GLN 119 CO 0.17 -0.31 0.51 -0.51 -0.55 0.00 0.00 175.29 174.59 2jwy s LEU 120 N -1.90 4.11 -0.21 3.68 1.43 -1.26 -0.88 118.68 123.66 2jwy s LEU 120 Ca -0.06 0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 2jwy s LEU 120 Cb -0.01 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 2jwy s LEU 120 CO -0.01 -0.21 -0.06 0.27 0.23 0.00 0.00 176.35 176.57 2jwy s ILE 121 N 1.83 3.24 -0.03 -0.59 -4.36 0.11 -4.98 121.20 116.43 2jwy s ILE 121 Ca 0.23 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.14 2jwy s ILE 121 Cb -0.15 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 2jwy s ILE 121 CO 0.09 0.44 -0.22 0.20 0.24 0.00 0.00 174.94 175.69 2jwy s ASN 122 N 1.37 3.38 0.08 4.36 0.01 -1.26 -0.79 114.94 122.08 2jwy s ASN 122 Ca 0.04 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 51.88 2jwy s ASN 122 Cb -0.14 -0.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.95 2jwy s ASN 122 CO -0.04 0.32 -0.16 0.00 -1.51 0.00 0.00 177.10 175.72 2jwy s ALA 123 N -0.62 1.37 0.99 0.60 0.00 -0.06 -4.98 121.76 119.05 2jwy s ALA 123 Ca 0.10 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2jwy s ALA 123 Cb -0.10 -0.15 0.19 0.00 0.00 0.00 0.00 23.12 23.05 2jwy s ALA 123 CO -0.00 0.23 1.09 -2.14 0.00 0.00 0.00 175.76 174.94 2jwy s PRO 124 N -1.75 0.46 0.01 0.00 0.02 -1.26 -2.95 135.00 129.53 2jwy s PRO 124 Ca 0.01 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 61.86 2jwy s PRO 124 Cb -0.10 -1.69 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 2jwy s PRO 124 CO 0.03 -2.88 1.41 0.00 -0.33 0.00 0.00 177.00 175.23 2jwy s ALA 125 N -2.66 3.58 -0.84 -1.55 0.00 -1.26 -4.49 121.76 114.55 2jwy s ALA 125 Ca 0.66 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 2jwy s ALA 125 Cb -0.22 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 2jwy s ALA 125 CO 0.60 -0.91 3.07 0.43 0.00 0.00 0.00 175.76 178.95 2jwy n SER 126 N 5.32 7.09 0.00 0.00 7.64 -0.12 -4.67 113.62 128.89 2jwy n SER 126 Ca 0.13 -2.73 0.08 0.00 1.01 0.00 0.00 58.87 57.36 2jwy n SER 126 Cb 0.43 -1.43 0.45 0.00 -1.01 0.00 0.00 64.21 62.65 2jwy n SER 126 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2jwy n VAL 127 N 2.49 0.23 -4.11 0.44 0.24 -1.19 -1.05 118.33 115.39 2jwy n VAL 127 Ca 0.59 0.06 -0.24 0.00 -2.04 0.00 0.00 64.34 62.71 2jwy n VAL 127 Cb 0.52 -0.80 -0.17 0.00 -1.47 0.00 0.00 33.84 31.92 2jwy n VAL 127 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jwy s LEU 128 N -2.24 1.25 0.32 1.34 1.43 -1.26 -4.85 118.68 114.66 2jwy s LEU 128 Ca 0.21 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 2jwy s LEU 128 Cb 0.11 -0.71 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 2jwy s LEU 128 CO 0.21 -0.08 0.90 0.00 0.23 0.00 0.00 176.35 177.61 2jwy s ALA 129 N 1.34 3.23 0.59 4.21 0.00 -1.26 -4.06 121.76 125.79 2jwy s ALA 129 Ca -0.03 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 2jwy s ALA 129 Cb -0.14 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2jwy s ALA 129 CO -0.03 0.20 1.02 -1.25 0.00 0.00 0.00 175.76 175.70 2jwy s PRO 130 N -2.23 3.58 -1.18 0.00 0.04 -1.26 -5.05 135.00 128.90 2jwy s PRO 130 Ca 0.51 0.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2jwy s PRO 130 Cb -0.17 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 2jwy s PRO 130 CO 0.22 -0.58 3.12 -1.13 0.04 0.00 0.00 177.00 178.67 2jwy n SER 131 N -2.22 7.80 -4.47 6.66 3.41 -1.26 -4.84 113.62 118.71 2jwy n SER 131 Ca 0.07 -2.57 -0.43 0.00 -0.26 0.00 0.00 58.87 55.67 2jwy n SER 131 Cb 0.54 -1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 2jwy n SER 131 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jwy s ASP 132 N 2.05 6.61 0.16 4.04 -1.08 -1.26 -1.02 116.67 126.17 2jwy s ASP 132 Ca 0.69 -1.97 0.04 0.00 -0.52 0.00 0.00 52.55 50.79 2jwy s ASP 132 Cb 0.22 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 2jwy s ASP 132 CO -0.05 -1.13 0.16 -0.69 0.52 0.00 0.00 175.17 173.99 2jwy s VAL 133 N 3.01 4.64 -0.02 1.11 1.01 0.24 -4.97 120.40 125.43 2jwy s VAL 133 Ca 0.35 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2jwy s VAL 133 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jwy s VAL 133 CO -0.10 -0.09 0.09 1.51 0.00 0.00 0.00 175.10 176.52 2jwy s ASP 134 N -3.07 -0.00 -0.04 3.32 1.47 -1.26 0.37 116.67 117.45 2jwy s ASP 134 Ca 0.31 -0.05 -0.01 0.00 1.18 0.00 0.00 52.55 53.99 2jwy s ASP 134 Cb -0.10 0.19 0.03 0.00 -0.34 0.00 0.00 42.92 42.70 2jwy s ASP 134 CO 0.24 -0.18 0.07 0.27 0.68 0.00 0.00 175.17 176.25 2jwy s ILE 135 N -0.65 -0.07 0.36 2.11 -4.36 -0.17 -4.95 121.20 113.46 2jwy s ILE 135 Ca -0.07 0.24 -0.27 0.00 -0.26 0.00 0.00 60.65 60.29 2jwy s ILE 135 Cb -0.04 -0.14 -0.09 0.00 1.25 0.00 0.00 42.46 43.43 2jwy s ILE 135 CO 0.00 0.10 1.21 -2.16 0.24 0.00 0.00 174.94 174.33 2jwy s PRO 136 N 1.29 4.24 -0.05 0.37 0.04 -1.26 -0.22 135.00 139.40 2jwy s PRO 136 Ca -0.07 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2jwy s PRO 136 Cb -0.12 -2.89 0.03 0.00 0.04 0.00 0.00 34.50 31.56 2jwy s PRO 136 CO -0.04 -0.20 0.02 -1.17 0.04 0.00 0.00 177.00 175.64 2jwy s LEU 137 N -2.10 0.66 -0.48 -3.56 0.20 0.61 -4.89 118.68 109.11 2jwy s LEU 137 Ca 0.52 -0.02 -0.14 0.00 0.69 0.00 0.00 54.13 55.19 2jwy s LEU 137 Cb -0.34 -0.29 0.10 0.00 -0.43 0.00 0.00 46.19 45.23 2jwy s LEU 137 CO 0.44 -0.18 0.40 -1.58 -0.29 0.00 0.00 176.35 175.14 2jwy s GLN 138 N 1.71 2.85 -0.07 1.98 0.74 -1.26 -0.92 119.66 124.68 2jwy s GLN 138 Ca 0.00 -1.53 -0.26 0.00 0.05 0.00 0.00 55.36 53.61 2jwy s GLN 138 Cb -0.13 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.86 2jwy s GLN 138 CO -0.03 -1.13 0.84 -0.51 -0.55 0.00 0.00 175.29 173.91 2jwy s LEU 139 N 1.55 4.30 -0.05 3.68 1.43 0.19 -4.93 118.68 124.85 2jwy s LEU 139 Ca 0.04 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 2jwy s LEU 139 Cb -0.26 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2jwy s LEU 139 CO 0.04 -0.25 0.09 -0.54 0.23 0.00 0.00 176.35 175.92 2jwy s LYS 140 N 1.26 3.17 -0.34 1.70 1.02 -1.26 -0.56 119.74 124.74 2jwy s LYS 140 Ca 0.43 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2jwy s LYS 140 Cb -0.19 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2jwy s LYS 140 CO 0.20 0.70 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 2jwy n GLY 141 N 1.57 0.63 2.99 -3.33 0.00 0.05 -4.83 105.19 102.28 2jwy n GLY 141 Ca -0.16 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.04 -0.53 0.52 -0.61 2.07 -1.23 -4.98 121.20 114.40 2jwy s ILE 142 Ca 0.00 0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.15 2jwy s ILE 142 Cb 0.00 -0.67 -0.07 0.00 0.13 0.00 0.00 42.46 41.85 2jwy s ILE 142 CO 0.00 -0.03 0.97 -0.44 -1.91 0.00 0.00 174.94 173.53 2jwy s SER 143 N 2.50 6.58 0.15 4.50 0.01 -1.26 -2.73 113.70 123.44 2jwy s SER 143 Ca 0.06 1.52 -0.17 0.00 1.31 0.00 0.00 55.95 58.67 2jwy s SER 143 Cb -0.14 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.64 2jwy s SER 143 CO -0.13 -0.60 1.75 1.62 0.41 0.00 0.00 173.24 176.29 2jwy h VAL 144 N 0.81 0.90 0.00 3.43 3.04 -1.90 -0.50 116.25 122.02 2jwy h VAL 144 Ca -0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2jwy h VAL 144 Cb 1.19 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2jwy h VAL 144 CO 0.62 0.04 0.00 -0.78 -1.01 0.00 0.00 177.57 176.44 2jwy h ASP 145 N 0.23 0.00 -0.41 3.17 3.58 -1.97 -1.89 116.42 119.13 2jwy h ASP 145 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2jwy h ASP 145 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2jwy h ASP 145 CO -0.16 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.20 2jwy n GLN 146 N -2.53 2.93 -2.97 0.28 1.13 -0.33 -4.93 117.38 110.95 2jwy n GLN 146 Ca 0.00 -2.29 -0.43 0.00 -1.94 0.00 0.00 57.00 52.34 2jwy n GLN 146 Cb 0.19 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 2jwy n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jwy s LEU 147 N -1.29 4.33 -0.13 1.08 0.20 -0.40 -4.66 118.68 117.82 2jwy s LEU 147 Ca 0.31 -0.31 -0.14 0.00 0.69 0.00 0.00 54.13 54.68 2jwy s LEU 147 Cb 0.18 -2.83 -0.12 0.00 -0.43 0.00 0.00 46.19 42.99 2jwy s LEU 147 CO 0.18 -0.99 0.28 1.23 -0.29 0.00 0.00 176.35 176.76 2jwy h GLY 148 N 10.27 0.00 -4.34 7.98 0.00 -0.73 -3.41 103.07 112.85 2jwy h GLY 148 Ca -0.26 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 2jwy h GLY 148 CO 0.99 0.00 -0.47 -0.11 0.00 0.00 0.00 176.54 176.95 2jwy s PHE 149 N -1.94 0.08 -0.43 5.60 -0.71 -0.59 -4.18 117.98 115.81 2jwy s PHE 149 Ca -0.11 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.55 2jwy s PHE 149 Cb -0.00 -0.07 0.12 0.00 -1.21 0.00 0.00 43.02 41.86 2jwy s PHE 149 CO 0.33 -0.35 0.17 0.08 -1.34 0.00 0.00 175.22 174.12 2jwy s VAL 150 N -2.02 2.15 -0.50 -2.49 1.01 0.13 -2.56 120.40 116.10 2jwy s VAL 150 Ca -0.10 -2.72 -0.22 0.00 0.00 0.00 0.00 61.98 58.94 2jwy s VAL 150 Cb -0.04 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jwy s VAL 150 CO -0.01 -0.74 0.81 -0.60 0.00 0.00 0.00 175.10 174.55 2jwy s ARG 151 N 0.36 3.30 -0.15 2.72 3.52 0.59 -0.50 118.95 128.79 2jwy s ARG 151 Ca 0.15 -0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 55.17 2jwy s ARG 151 Cb -0.23 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.11 2jwy s ARG 151 CO -0.05 -1.29 0.61 0.42 -0.81 0.00 0.00 175.30 174.19 2jwy s ILE 152 N 3.39 5.06 0.35 4.11 -1.09 0.10 -0.55 121.20 132.58 2jwy s ILE 152 Ca 0.26 1.20 -0.11 0.00 -2.23 0.00 0.00 60.65 59.77 2jwy s ILE 152 Cb -0.14 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2jwy s ILE 152 CO 0.19 0.19 0.65 -1.38 -1.23 0.00 0.00 174.94 173.35 2jwy s HIS 153 N 1.37 0.47 -1.63 3.97 -3.43 -0.19 -1.52 115.29 114.33 2jwy s HIS 153 Ca 0.30 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 2jwy s HIS 153 Cb -0.16 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.43 2jwy s HIS 153 CO 0.12 -1.35 0.00 -0.25 -2.00 0.00 0.00 174.74 171.26 2jwy n ASP 154 N -1.29 -4.94 -4.55 7.38 8.00 -1.26 -0.28 116.55 119.61 2jwy n ASP 154 Ca -0.04 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.42 2jwy n ASP 154 Cb 0.61 -3.94 -0.04 0.00 -0.02 0.00 0.00 41.12 37.73 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 -2.67 3.31 0.14 0.53 -1.09 -1.26 -4.24 121.20 115.92 2jwy s ILE 155 Ca 0.00 -0.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.47 2jwy s ILE 155 Cb 0.00 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2jwy s ILE 155 CO 0.00 -0.72 -0.18 0.00 -1.23 0.00 0.00 174.94 172.81 2jwy s GLN 156 N 7.38 1.77 0.07 2.79 -2.07 0.10 -1.22 119.66 128.48 2jwy s GLN 156 Ca 0.75 -1.27 -0.31 0.00 -1.82 0.00 0.00 55.36 52.71 2jwy s GLN 156 Cb -0.11 -2.06 -0.07 0.00 -1.09 0.00 0.00 33.01 29.68 2jwy s GLN 156 CO 0.12 0.46 1.36 -1.25 -1.32 0.00 0.00 175.29 174.66 2jwy s PRO 157 N -2.36 4.33 -0.63 9.60 0.04 -1.26 -0.15 135.00 144.57 2jwy s PRO 157 Ca 0.19 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2jwy s PRO 157 Cb -0.10 -3.36 0.16 0.00 0.04 0.00 0.00 34.50 31.25 2jwy s PRO 157 CO 0.11 -0.44 0.55 0.54 0.04 0.00 0.00 177.00 177.79 2jwy s VAL 158 N 1.47 4.91 0.00 -0.36 0.11 0.01 -4.87 120.40 121.66 2jwy s VAL 158 Ca 0.63 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 2jwy s VAL 158 Cb -0.34 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 2jwy s VAL 158 CO 0.29 -0.90 0.00 0.23 -3.33 0.00 0.00 175.10 171.39 2jwy n MET 159 N 4.51 2.89 -0.93 1.54 2.81 -1.26 -4.41 117.12 122.27 2jwy n MET 159 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jwy n MET 159 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 2jwy n MET 159 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2jwy n GLN 160 N -0.15 1.58 -2.19 0.03 6.02 -1.26 -5.00 117.38 116.42 2jwy n GLN 160 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2jwy n GLN 160 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 2jwy n GLN 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jwy s LEU 161 N 0.00 3.25 0.24 1.08 2.01 -1.26 -4.96 118.68 119.04 2jwy s LEU 161 Ca 0.00 -1.15 -0.10 0.00 0.01 0.00 0.00 54.13 52.89 2jwy s LEU 161 Cb 0.00 -2.57 -0.07 0.00 0.01 0.00 0.00 46.19 43.56 2jwy s LEU 161 CO 0.00 -2.47 0.57 -0.70 1.01 0.00 0.00 176.35 174.76 2jwy s GLU 162 N 6.32 3.83 -0.28 1.70 2.12 -1.26 -5.09 118.70 126.04 2jwy s GLU 162 Ca 0.64 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 2jwy s GLU 162 Cb -0.03 -2.63 0.13 0.00 0.26 0.00 0.00 34.13 31.85 2jwy s GLU 162 CO 0.01 0.31 0.29 -3.38 -0.54 0.00 0.00 175.26 171.95 2jwy s HIS 163 N -1.82 -0.46 -0.40 5.30 -3.43 -1.26 -5.09 115.29 108.12 2jwy s HIS 163 Ca 0.48 -0.06 -0.09 0.00 -0.80 0.00 0.00 55.06 54.59 2jwy s HIS 163 Cb -0.11 -0.42 0.07 0.00 -1.43 0.00 0.00 32.58 30.69 2jwy s HIS 163 CO 0.21 -0.87 0.24 -3.38 -2.00 0.00 0.00 174.74 168.93 2jwy s HIS 164 N 2.37 3.32 0.31 0.38 -3.43 -1.26 -5.10 115.29 111.88 2jwy s HIS 164 Ca 0.09 -1.48 -0.05 0.00 -0.80 0.00 0.00 55.06 52.82 2jwy s HIS 164 Cb -0.14 -2.83 -0.05 0.00 -1.43 0.00 0.00 32.58 28.12 2jwy s HIS 164 CO -0.29 -0.82 0.58 -1.58 -2.00 0.00 0.00 174.74 170.63 2jwy s HIS 165 N 1.43 3.48 -0.42 0.38 2.46 -1.26 -5.00 115.29 116.35 2jwy s HIS 165 Ca 0.02 0.66 -0.27 0.00 0.47 0.00 0.00 55.06 55.95 2jwy s HIS 165 Cb -0.22 -2.13 -0.07 0.00 -0.13 0.00 0.00 32.58 30.03 2jwy s HIS 165 CO 0.02 0.13 2.36 1.58 -2.47 0.00 0.00 174.74 176.37 2jwy n HIS 166 N -1.05 1.56 -0.09 3.88 -0.00 -1.26 -4.80 115.22 113.46 2jwy n HIS 166 Ca -0.01 0.06 -0.18 0.00 0.46 0.00 0.00 57.72 58.05 2jwy n HIS 166 Cb 0.54 -2.65 -0.13 0.00 -0.12 0.00 0.00 29.99 27.63 2jwy n HIS 166 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwy n HIS 167 N 14.25 0.37 1.46 1.57 -0.00 -1.26 -5.36 115.22 126.25 2jwy n HIS 167 Ca 0.36 0.08 0.14 0.00 -0.00 0.00 0.00 57.72 58.30 2jwy n HIS 167 Cb 0.48 -1.05 0.49 0.00 -0.00 0.00 0.00 29.99 29.91 2jwy n HIS 167 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92