#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n GLU 2 N 0.00 0.00 -2.27 0.03 0.00 -1.23 -3.63 120.64 113.53 2wwq n GLU 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2wwq n GLU 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 2wwq n GLU 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2wwq s THR 3 N 0.00 3.12 0.06 3.84 -4.23 -0.74 -4.81 115.64 112.88 2wwq s THR 3 Ca 0.00 0.90 0.01 0.00 -1.18 0.00 0.00 61.69 61.42 2wwq s THR 3 Cb 0.00 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.37 2wwq s THR 3 CO 0.00 0.05 0.09 2.30 -0.54 0.00 0.00 174.62 176.51 2wwq n ILE 4 N -0.16 0.00 -3.59 2.99 -5.35 -1.26 -2.29 119.36 109.71 2wwq n ILE 4 Ca 0.05 -0.18 0.01 0.00 -0.27 0.00 0.00 62.75 62.36 2wwq n ILE 4 Cb 0.47 -1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 37.24 2wwq n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wwq s ALA 5 N -2.30 -2.61 0.04 -1.28 0.00 -0.98 -4.76 121.76 109.86 2wwq s ALA 5 Ca 0.06 2.04 0.02 0.00 0.00 0.00 0.00 51.96 54.08 2wwq s ALA 5 Cb -0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2wwq s ALA 5 CO 0.04 -0.42 -0.08 0.15 0.00 0.00 0.00 175.76 175.44 2wwq s LYS 6 N 1.31 0.55 -0.24 0.00 1.02 -1.26 -3.09 119.74 118.03 2wwq s LYS 6 Ca -0.07 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2wwq s LYS 6 Cb -0.03 -0.37 0.06 0.00 -0.52 0.00 0.00 37.83 36.97 2wwq s LYS 6 CO -0.12 0.08 -0.08 -1.58 -0.92 0.00 0.00 175.35 172.72 2wwq s HIS 7 N -1.21 2.71 0.32 3.18 5.65 -0.53 -4.99 115.29 120.42 2wwq s HIS 7 Ca -0.08 -1.95 -0.02 0.00 0.25 0.00 0.00 55.06 53.26 2wwq s HIS 7 Cb -0.09 -1.71 -0.04 0.00 -1.18 0.00 0.00 32.58 29.56 2wwq s HIS 7 CO 0.01 -0.81 0.55 1.03 -0.65 0.00 0.00 174.74 174.86 2wwq s ARG 8 N 1.29 3.54 -1.95 2.88 0.52 -1.26 -1.71 118.95 122.26 2wwq s ARG 8 Ca -0.07 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2wwq s ARG 8 Cb -0.19 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2wwq s ARG 8 CO -0.06 0.17 0.00 0.72 0.02 0.00 0.00 175.30 176.16 2wwq n HIS 9 N -1.40 -0.63 -1.59 -0.53 8.25 -1.22 -4.99 115.22 113.11 2wwq n HIS 9 Ca -0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.98 2wwq n HIS 9 Cb 0.55 -3.80 -0.04 0.00 1.12 0.00 0.00 29.99 27.82 2wwq n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wwq n ALA 10 N -0.78 1.56 -2.63 -1.41 0.00 -0.84 -4.92 120.51 111.49 2wwq n ALA 10 Ca -0.23 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 2wwq n ALA 10 Cb 0.69 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 2wwq n ALA 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wwq s ARG 11 N 5.92 4.02 0.00 0.00 3.52 -1.26 -1.24 118.95 129.92 2wwq s ARG 11 Ca 1.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 2wwq s ARG 11 Cb -0.47 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 2wwq s ARG 11 CO 0.40 -0.95 0.00 -1.13 -0.81 0.00 0.00 175.30 172.80 2wwq n SER 12 N 6.97 0.00 -4.64 -2.12 3.41 -1.24 -5.00 113.62 111.00 2wwq n SER 12 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.30 2wwq n SER 12 Cb 0.47 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2wwq n SER 12 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wwq s SER 13 N 0.00 6.85 0.36 4.04 0.01 -1.26 -3.77 113.70 119.92 2wwq s SER 13 Ca 0.00 1.22 0.19 0.00 1.31 0.00 0.00 55.95 58.67 2wwq s SER 13 Cb 0.00 -2.54 0.50 0.00 0.21 0.00 0.00 66.02 64.19 2wwq s SER 13 CO 0.00 -0.93 1.64 0.00 0.41 0.00 0.00 173.24 174.37 2wwq h ALA 14 N 8.51 0.87 0.00 1.44 0.00 -1.86 -2.38 119.26 125.84 2wwq h ALA 14 Ca -0.23 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2wwq h ALA 14 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wwq h ALA 14 CO 1.02 0.47 -0.23 1.96 0.00 0.00 0.00 179.25 182.47 2wwq h GLN 15 N 0.00 0.00 0.10 0.00 4.20 -1.96 -2.81 115.11 114.64 2wwq h GLN 15 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2wwq h GLN 15 Cb 1.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2wwq h GLN 15 CO 0.05 0.23 -1.44 0.87 -0.67 0.00 0.00 178.83 177.86 2wwq h LYS 16 N 0.00 0.22 -0.13 1.46 1.57 -1.84 -3.25 116.57 114.59 2wwq h LYS 16 Ca -0.00 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.28 2wwq h LYS 16 Cb 0.45 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2wwq h LYS 16 CO 0.03 1.09 -0.45 0.28 -0.57 0.00 0.00 179.45 179.82 2wwq h VAL 17 N 0.06 1.32 -0.26 0.50 2.07 -1.48 -2.50 116.25 115.96 2wwq h VAL 17 Ca -0.21 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 65.70 2wwq h VAL 17 Cb 1.99 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2wwq h VAL 17 CO 0.16 0.50 0.18 -0.09 0.02 0.00 0.00 177.57 178.33 2wwq h ARG 18 N 0.27 0.26 -0.22 1.57 2.43 -1.56 -2.11 114.38 115.02 2wwq h ARG 18 Ca 0.02 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2wwq h ARG 18 Cb 0.91 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2wwq h ARG 18 CO 0.07 0.17 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.34 2wwq h LEU 19 N 0.27 0.46 -0.32 3.80 3.38 -1.48 -2.98 115.31 118.44 2wwq h LEU 19 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wwq h LEU 19 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2wwq h LEU 19 CO -0.02 0.74 -0.49 0.55 0.09 0.00 0.00 178.44 179.30 2wwq n VAL 20 N -4.09 0.00 0.11 1.22 3.14 -0.82 -3.30 118.33 114.58 2wwq n VAL 20 Ca -0.01 -0.08 -0.13 0.00 -2.96 0.00 0.00 64.34 61.16 2wwq n VAL 20 Cb 0.43 0.57 -0.08 0.00 -1.06 0.00 0.00 33.84 33.70 2wwq n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wwq h ALA 21 N 3.37 -0.23 -0.75 1.55 0.00 -1.33 -3.27 119.26 118.59 2wwq h ALA 21 Ca 0.00 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.97 2wwq h ALA 21 Cb 0.54 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2wwq h ALA 21 CO 0.00 -0.55 0.51 -0.44 0.00 0.00 0.00 179.25 178.78 2wwq h ASP 22 N -0.40 0.21 0.10 0.00 5.19 -1.62 -1.11 116.42 118.78 2wwq h ASP 22 Ca -0.02 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 2wwq h ASP 22 Cb 0.31 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2wwq h ASP 22 CO 0.04 0.10 -0.14 0.25 -3.12 0.00 0.00 179.24 176.37 2wwq h LEU 23 N 0.22 0.09 -2.39 1.55 5.85 -1.60 -3.19 115.31 115.83 2wwq h LEU 23 Ca 0.37 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 2wwq h LEU 23 Cb 1.12 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 2wwq h LEU 23 CO -0.08 0.24 -0.55 2.30 -0.34 0.00 0.00 178.44 180.01 2wwq n ILE 24 N -4.33 0.34 -1.83 4.05 -5.35 -0.51 -5.03 119.36 106.70 2wwq n ILE 24 Ca -0.02 -0.65 -0.39 0.00 -0.27 0.00 0.00 62.75 61.42 2wwq n ILE 24 Cb 0.24 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 2wwq n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wwq s ARG 25 N -0.51 2.67 0.00 6.28 3.52 -0.65 -3.44 118.95 126.81 2wwq s ARG 25 Ca 0.13 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 2wwq s ARG 25 Cb 0.14 -4.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2wwq s ARG 25 CO -0.04 -2.65 0.00 0.41 -0.81 0.00 0.00 175.30 172.22 2wwq n GLY 26 N 5.74 0.86 2.33 8.12 0.00 -0.87 -4.98 105.19 116.39 2wwq n GLY 26 Ca 0.27 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2wwq n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwq n LYS 27 N -0.69 2.98 -1.11 1.61 5.02 -1.22 -4.93 118.16 119.82 2wwq n LYS 27 Ca 0.00 -4.01 0.15 0.00 -2.02 0.00 0.00 58.31 52.43 2wwq n LYS 27 Cb 0.38 -2.05 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 2wwq n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wwq n LYS 28 N -0.60 -2.23 -4.26 1.97 5.02 -1.26 -4.72 118.16 112.09 2wwq n LYS 28 Ca 0.32 1.47 -0.25 0.00 -2.02 0.00 0.00 58.31 57.83 2wwq n LYS 28 Cb 0.87 -2.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.08 2wwq n LYS 28 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wwq s VAL 29 N -1.80 2.37 0.00 -0.18 -7.23 -1.12 -4.31 120.40 108.14 2wwq s VAL 29 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2wwq s VAL 29 Cb 0.00 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.99 2wwq s VAL 29 CO 0.00 -0.06 0.00 -1.20 -0.31 0.00 0.00 175.10 173.53 2wwq n SER 30 N -1.12 -0.92 0.00 4.85 7.64 -1.26 -4.76 113.62 118.05 2wwq n SER 30 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2wwq n SER 30 Cb 0.64 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2wwq n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwq n GLN 31 N -1.81 0.00 -0.26 1.43 0.00 -1.26 -4.84 117.38 110.64 2wwq n GLN 31 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.07 2wwq n GLN 31 Cb 0.09 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.54 2wwq n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wwq n ALA 32 N 0.00 2.51 0.00 2.61 0.00 -1.26 -2.07 120.51 122.30 2wwq n ALA 32 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2wwq n ALA 32 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2wwq n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwq n LEU 33 N 0.79 1.87 0.15 0.00 4.32 -1.26 -4.50 117.00 118.37 2wwq n LEU 33 Ca 0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.00 2wwq n LEU 33 Cb 0.42 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 2wwq n LEU 33 CO 0.11 0.31 0.76 0.44 -1.22 0.00 0.00 177.39 177.80 2wwq h ASP 34 N 0.00 -0.27 -0.62 -1.43 5.19 -1.89 -3.23 116.42 114.17 2wwq h ASP 34 Ca 0.00 -0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.50 2wwq h ASP 34 Cb 0.70 0.07 -0.12 0.00 0.18 0.00 0.00 39.33 40.16 2wwq h ASP 34 CO 0.00 -0.15 -0.24 -0.29 -3.12 0.00 0.00 179.24 175.43 2wwq h ILE 35 N -0.38 0.26 -0.77 0.35 2.10 -1.67 -2.69 117.51 114.72 2wwq h ILE 35 Ca -0.03 0.00 0.14 0.00 1.08 0.00 0.00 64.86 66.04 2wwq h ILE 35 Cb 0.29 0.26 -0.09 0.00 -1.09 0.00 0.00 36.82 36.18 2wwq h ILE 35 CO 0.05 0.00 0.34 -0.07 -1.08 0.00 0.00 178.15 177.40 2wwq h LEU 36 N -0.08 0.37 0.00 2.19 3.38 -1.78 -1.42 115.31 117.96 2wwq h LEU 36 Ca 0.28 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2wwq h LEU 36 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wwq h LEU 36 CO -0.67 0.16 0.00 0.35 0.09 0.00 0.00 178.44 178.36 2wwq n THR 37 N -4.95 0.00 -1.59 0.22 -2.24 -1.02 -2.94 114.28 101.77 2wwq n THR 37 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2wwq n THR 37 Cb 0.40 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2wwq n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wwq n TYR 38 N -0.71 0.00 -3.66 4.78 0.53 -0.88 -5.07 117.16 112.15 2wwq n TYR 38 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.98 2wwq n TYR 38 Cb 0.04 0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 2wwq n TYR 38 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 2wwq n THR 39 N 0.00 0.00 -2.85 -0.72 -2.24 -0.59 -5.02 114.28 102.85 2wwq n THR 39 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2wwq n THR 39 Cb 0.52 -0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 2wwq n THR 39 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wwq s ASN 40 N -0.67 5.79 0.00 3.42 0.01 -1.26 -5.00 114.94 117.23 2wwq s ASN 40 Ca 0.00 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 2wwq s ASN 40 Cb 0.00 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.08 2wwq s ASN 40 CO 0.00 -0.77 0.00 0.29 -1.51 0.00 0.00 177.10 175.11 2wwq n LYS 41 N -2.19 0.00 0.00 -0.60 5.02 -1.26 -4.58 118.16 114.56 2wwq n LYS 41 Ca 0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2wwq n LYS 41 Cb 0.58 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.63 2wwq n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wwq n LYS 42 N 0.67 1.70 0.26 1.97 5.02 -1.26 -3.56 118.16 122.96 2wwq n LYS 42 Ca 0.00 -1.39 0.08 0.00 -2.02 0.00 0.00 58.31 54.98 2wwq n LYS 42 Cb 0.00 -1.40 0.64 0.00 -0.02 0.00 0.00 35.03 34.25 2wwq n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwq h ALA 43 N 3.84 2.00 0.12 7.82 0.00 -1.96 -2.93 119.26 128.14 2wwq h ALA 43 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wwq h ALA 43 Cb 0.79 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wwq h ALA 43 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 2wwq h ALA 44 N 2.00 -0.90 0.00 0.00 0.00 -1.80 -1.95 119.26 116.60 2wwq h ALA 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wwq h ALA 44 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wwq h ALA 44 CO -0.00 -0.90 0.00 1.33 0.00 0.00 0.00 179.25 179.68 2wwq n VAL 45 N -2.78 0.00 -0.07 0.00 0.24 -1.17 -0.92 118.33 113.63 2wwq n VAL 45 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 2wwq n VAL 45 Cb 0.09 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 2wwq n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wwq n LEU 46 N -0.44 1.91 0.05 1.34 4.77 -1.12 -3.93 117.00 119.58 2wwq n LEU 46 Ca 0.00 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 2wwq n LEU 46 Cb 0.01 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2wwq n LEU 46 CO 0.00 0.58 -0.25 1.33 -1.33 0.00 0.00 177.39 177.72 2wwq n VAL 47 N -2.75 0.89 -0.00 4.08 0.24 -0.75 -3.80 118.33 116.23 2wwq n VAL 47 Ca -0.23 -0.63 -0.10 0.00 -2.04 0.00 0.00 64.34 61.34 2wwq n VAL 47 Cb 0.81 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 2wwq n VAL 47 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2wwq h LYS 48 N 0.00 -0.00 -0.33 7.34 3.11 -1.23 -1.82 116.57 123.64 2wwq h LYS 48 Ca -0.10 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.81 2wwq h LYS 48 Cb 1.34 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.56 2wwq h LYS 48 CO 0.02 -0.00 0.23 0.87 -2.81 0.00 0.00 179.45 177.76 2wwq h LYS 49 N -0.00 0.13 -0.26 1.90 1.79 -1.68 -1.08 116.57 117.37 2wwq h LYS 49 Ca 0.05 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.37 2wwq h LYS 49 Cb 0.08 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2wwq h LYS 49 CO -0.11 0.09 -0.38 0.28 -1.08 0.00 0.00 179.45 178.25 2wwq h VAL 50 N 0.14 1.30 0.21 0.50 2.07 -1.49 -3.35 116.25 115.63 2wwq h VAL 50 Ca 0.15 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2wwq h VAL 50 Cb 0.43 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2wwq h VAL 50 CO -0.02 0.50 -0.13 0.25 0.02 0.00 0.00 177.57 178.20 2wwq h LEU 51 N 0.46 -0.32 -7.98 2.57 5.85 -0.90 -2.36 115.31 112.63 2wwq h LEU 51 Ca 0.03 0.02 -0.46 0.00 0.84 0.00 0.00 57.88 58.30 2wwq h LEU 51 Cb 0.97 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2wwq h LEU 51 CO 0.09 -0.20 1.44 -0.70 -0.34 0.00 0.00 178.44 178.73 2wwq s GLU 52 N -3.74 3.07 0.00 1.25 2.56 -0.45 -1.95 118.70 119.44 2wwq s GLU 52 Ca -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 54.97 53.58 2wwq s GLU 52 Cb 0.01 -5.33 0.00 0.00 2.00 0.00 0.00 34.13 30.81 2wwq s GLU 52 CO 0.15 -3.22 0.00 0.45 -0.56 0.00 0.00 175.26 172.08 2wwq n SER 53 N 11.96 0.00 -0.16 -1.70 2.88 -1.16 -4.80 113.62 120.63 2wwq n SER 53 Ca 0.45 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.91 2wwq n SER 53 Cb 0.47 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 2wwq n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wwq h ALA 54 N 0.00 0.61 0.30 -1.46 0.00 -0.87 -1.94 119.26 115.90 2wwq h ALA 54 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wwq h ALA 54 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wwq h ALA 54 CO 0.00 0.13 -0.14 0.82 0.00 0.00 0.00 179.25 180.05 2wwq h ILE 55 N 0.63 0.73 0.00 0.00 2.04 -1.67 -2.67 117.51 116.56 2wwq h ILE 55 Ca 0.17 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wwq h ILE 55 Cb 0.05 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2wwq h ILE 55 CO -0.03 0.05 0.03 0.00 0.00 0.00 0.00 178.15 178.20 2wwq n ALA 56 N -2.33 1.11 -0.04 1.87 0.00 -0.91 -1.11 120.51 119.10 2wwq n ALA 56 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wwq n ALA 56 Cb 0.21 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 2wwq n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wwq n ASN 57 N -1.21 1.30 0.00 0.00 5.03 -0.78 -2.00 115.26 117.61 2wwq n ASN 57 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 2wwq n ASN 57 Cb 0.03 1.31 0.63 0.00 -1.02 0.00 0.00 39.78 40.72 2wwq n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wwq n ALA 58 N -2.31 2.28 -1.26 5.41 0.00 -0.27 -2.46 120.51 121.90 2wwq n ALA 58 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2wwq n ALA 58 Cb 0.70 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wwq n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wwq n GLU 59 N -1.35 0.00 -3.13 0.00 -0.58 -0.58 -3.82 120.64 111.17 2wwq n GLU 59 Ca 0.10 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.40 2wwq n GLU 59 Cb 0.24 -0.03 -0.05 0.00 -0.57 0.00 0.00 31.44 31.03 2wwq n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2wwq s HIS 60 N 0.00 3.02 0.00 -0.32 2.46 -0.85 -2.90 115.29 116.71 2wwq s HIS 60 Ca 0.00 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 54.54 2wwq s HIS 60 Cb 0.00 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 2wwq s HIS 60 CO 0.00 -1.27 0.00 0.09 -2.47 0.00 0.00 174.74 171.09 2wwq n ASN 61 N 6.23 0.00 0.00 9.88 5.03 -1.03 -4.07 115.26 131.30 2wwq n ASN 61 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2wwq n ASN 61 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 2wwq n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2wwq n ASP 62 N 0.00 -0.15 0.00 6.41 9.92 -1.14 -4.83 116.55 126.75 2wwq n ASP 62 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wwq n ASP 62 Cb 0.00 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 2wwq n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wwq n GLY 63 N 1.82 -0.13 0.00 0.44 0.00 -1.14 -3.52 105.19 102.66 2wwq n GLY 63 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2wwq n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq n ALA 64 N -0.77 0.00 -2.75 4.61 0.00 -1.25 -4.80 120.51 115.55 2wwq n ALA 64 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2wwq n ALA 64 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2wwq n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wwq s ASP 65 N 0.00 0.93 0.00 0.00 1.11 -1.26 -4.93 116.67 112.52 2wwq s ASP 65 Ca 0.00 -0.27 0.13 0.00 0.18 0.00 0.00 52.55 52.59 2wwq s ASP 65 Cb 0.00 -0.06 0.24 0.00 1.07 0.00 0.00 42.92 44.17 2wwq s ASP 65 CO 0.00 0.01 1.12 2.30 1.18 0.00 0.00 175.17 179.78 2wwq n ILE 66 N 2.43 0.50 0.80 0.77 -5.35 -1.26 -4.50 119.36 112.75 2wwq n ILE 66 Ca -0.16 -0.75 0.12 0.00 -0.27 0.00 0.00 62.75 61.69 2wwq n ILE 66 Cb 0.57 0.89 0.21 0.00 -1.74 0.00 0.00 39.64 39.56 2wwq n ILE 66 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2wwq n ASP 67 N 0.74 0.57 -2.69 7.28 8.00 -1.26 -4.14 116.55 125.06 2wwq n ASP 67 Ca 0.11 -0.10 -0.07 0.00 0.71 0.00 0.00 54.79 55.44 2wwq n ASP 67 Cb 0.40 0.26 0.05 0.00 -0.02 0.00 0.00 41.12 41.81 2wwq n ASP 67 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wwq n ASP 68 N -1.76 0.71 -4.00 -2.24 2.03 -1.26 -5.03 116.55 104.99 2wwq n ASP 68 Ca 0.04 -2.58 -0.24 0.00 0.52 0.00 0.00 54.79 52.54 2wwq n ASP 68 Cb 0.38 -0.18 -0.17 0.00 -0.72 0.00 0.00 41.12 40.43 2wwq n ASP 68 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wwq s LEU 69 N -3.24 1.57 0.01 -2.67 1.43 -1.26 -2.25 118.68 112.28 2wwq s LEU 69 Ca 0.25 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2wwq s LEU 69 Cb 0.43 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2wwq s LEU 69 CO 0.00 0.01 -0.23 -0.75 0.23 0.00 0.00 176.35 175.61 2wwq s LYS 70 N 0.78 2.04 -1.28 1.70 2.20 -1.19 -2.78 119.74 121.21 2wwq s LYS 70 Ca -0.13 -0.97 -0.17 0.00 -0.36 0.00 0.00 55.97 54.34 2wwq s LYS 70 Cb -0.15 -2.08 0.09 0.00 -1.51 0.00 0.00 37.83 34.17 2wwq s LYS 70 CO 0.02 0.55 1.67 0.54 -0.36 0.00 0.00 175.35 177.77 2wwq s VAL 71 N -0.75 4.31 0.00 4.02 0.11 -1.26 -2.59 120.40 124.25 2wwq s VAL 71 Ca 0.12 -2.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.10 2wwq s VAL 71 Cb -0.10 -5.14 0.00 0.00 -1.53 0.00 0.00 36.38 29.61 2wwq s VAL 71 CO 0.01 -1.94 0.87 0.41 -3.33 0.00 0.00 175.10 171.12 2wwq n THR 72 N 6.02 0.00 -4.91 5.04 -1.04 -1.24 -2.06 114.28 116.09 2wwq n THR 72 Ca 0.46 1.37 -0.33 0.00 -2.04 0.00 0.00 64.05 63.52 2wwq n THR 72 Cb 0.45 -2.07 -0.15 0.00 -1.82 0.00 0.00 70.33 66.75 2wwq n THR 72 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wwq s LYS 73 N -2.48 3.17 -0.05 -2.82 1.02 -0.98 -4.48 119.74 113.12 2wwq s LYS 73 Ca 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 2wwq s LYS 73 Cb 0.00 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2wwq s LYS 73 CO 0.00 0.26 0.13 -1.50 -0.92 0.00 0.00 175.35 173.32 2wwq s ILE 74 N 0.20 -0.02 0.00 2.17 2.07 -1.26 -0.40 121.20 123.95 2wwq s ILE 74 Ca -0.10 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2wwq s ILE 74 Cb -0.16 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.23 2wwq s ILE 74 CO 0.06 0.04 0.00 2.22 -1.91 0.00 0.00 174.94 175.34 2wwq n PHE 75 N 3.58 0.00 0.00 3.50 -1.74 -0.65 -4.89 117.46 117.26 2wwq n PHE 75 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 2wwq n PHE 75 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 2wwq n PHE 75 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2wwq n VAL 76 N 0.00 0.00 -4.40 1.97 3.14 -1.26 -3.46 118.33 114.32 2wwq n VAL 76 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2wwq n VAL 76 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 2wwq n VAL 76 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2wwq s ASP 77 N 0.00 3.60 -0.00 6.55 1.01 0.10 -4.92 116.67 123.02 2wwq s ASP 77 Ca 0.00 -0.63 -0.35 0.00 0.71 0.00 0.00 52.55 52.28 2wwq s ASP 77 Cb 0.00 -0.40 -0.13 0.00 1.01 0.00 0.00 42.92 43.40 2wwq s ASP 77 CO 0.00 0.19 1.71 -0.62 0.21 0.00 0.00 175.17 176.66 2wwq n GLU 78 N 0.96 1.99 -3.00 8.23 1.02 -1.26 -0.62 120.64 127.97 2wwq n GLU 78 Ca -0.17 0.72 -0.18 0.00 -0.02 0.00 0.00 57.16 57.52 2wwq n GLU 78 Cb 0.53 -2.51 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 2wwq n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wwq s GLY 79 N 2.59 1.90 -0.08 0.62 0.00 -1.07 -4.70 107.32 106.57 2wwq s GLY 79 Ca 0.88 -1.75 -0.39 0.00 0.00 0.00 0.00 44.72 43.45 2wwq s GLY 79 CO 0.48 -1.51 1.39 -1.05 0.00 0.00 0.00 173.10 172.41 2wwq n PRO 80 N -1.96 0.74 -3.14 2.90 -0.02 -1.26 -4.46 135.00 127.80 2wwq n PRO 80 Ca 0.10 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 2wwq n PRO 80 Cb 0.60 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 2wwq n PRO 80 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wwq s SER 81 N 1.31 7.14 -0.73 2.55 0.01 -1.26 -4.50 113.70 118.21 2wwq s SER 81 Ca 0.91 1.35 -0.23 0.00 1.31 0.00 0.00 55.95 59.29 2wwq s SER 81 Cb -1.12 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 62.77 2wwq s SER 81 CO 0.57 0.16 1.08 -0.32 0.41 0.00 0.00 173.24 175.15 2wwq s MET 82 N -0.66 3.21 0.34 12.44 1.75 -0.89 -4.92 119.30 130.58 2wwq s MET 82 Ca 0.33 -0.83 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 2wwq s MET 82 Cb -0.20 -4.37 -0.12 0.00 2.84 0.00 0.00 34.83 32.98 2wwq s MET 82 CO 0.21 -1.91 1.48 1.63 -0.65 0.00 0.00 175.02 175.77 2wwq n LYS 83 N 8.01 2.55 -2.43 4.11 5.02 -1.26 -0.04 118.16 134.11 2wwq n LYS 83 Ca 0.03 0.90 -0.05 0.00 -2.02 0.00 0.00 58.31 57.17 2wwq n LYS 83 Cb 0.47 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 2wwq n LYS 83 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wwq n ARG 84 N 0.97 0.46 -4.28 1.97 0.63 0.46 -4.89 116.66 111.99 2wwq n ARG 84 Ca 0.04 -1.13 -0.20 0.00 -0.92 0.00 0.00 57.85 55.64 2wwq n ARG 84 Cb 0.37 1.29 -0.11 0.00 0.45 0.00 0.00 32.46 34.46 2wwq n ARG 84 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2wwq s ILE 85 N -2.59 1.55 -0.18 5.15 -4.36 -1.26 -1.65 121.20 117.86 2wwq s ILE 85 Ca 0.10 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 2wwq s ILE 85 Cb -0.02 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 42.07 2wwq s ILE 85 CO 0.07 -0.33 -0.18 -0.32 0.24 0.00 0.00 174.94 174.42 2wwq s MET 86 N -2.60 3.05 -0.60 0.37 -2.45 -0.16 -4.78 119.30 112.13 2wwq s MET 86 Ca 0.11 -0.81 -0.26 0.00 -1.25 0.00 0.00 55.69 53.48 2wwq s MET 86 Cb -0.06 -2.61 -0.08 0.00 1.25 0.00 0.00 34.83 33.33 2wwq s MET 86 CO 0.04 -0.18 2.34 -1.25 1.05 0.00 0.00 175.02 177.03 2wwq s PRO 87 N 1.24 2.02 0.01 4.11 0.04 -1.26 -2.00 135.00 139.16 2wwq s PRO 87 Ca 0.03 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 2wwq s PRO 87 Cb -0.14 -4.64 -0.18 0.00 0.04 0.00 0.00 34.50 29.58 2wwq s PRO 87 CO -0.10 -3.57 1.41 -0.09 0.04 0.00 0.00 177.00 174.68 2wwq h ARG 88 N 16.94 -0.04 0.00 4.56 9.65 -1.51 -3.49 114.38 140.49 2wwq h ARG 88 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2wwq h ARG 88 Cb 1.17 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2wwq h ARG 88 CO 1.12 0.28 0.00 0.00 2.80 0.00 0.00 179.97 184.18 2wwq n ALA 89 N -2.28 0.00 -3.60 2.80 0.00 -0.99 -5.02 120.51 111.43 2wwq n ALA 89 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 2wwq n ALA 89 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.68 2wwq n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwq n LYS 90 N -1.70 -6.31 -1.71 0.00 5.02 -1.26 -2.63 118.16 109.57 2wwq n LYS 90 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2wwq n LYS 90 Cb 0.00 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.32 2wwq n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wwq n GLY 91 N -1.77 0.82 2.86 0.72 0.00 -1.26 -5.05 105.19 101.52 2wwq n GLY 91 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2wwq n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 92 N -3.56 0.78 0.23 1.61 0.52 -1.08 -5.11 118.95 112.34 2wwq s ARG 92 Ca 0.00 -0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2wwq s ARG 92 Cb 0.00 -0.88 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 2wwq s ARG 92 CO 0.00 -0.14 -0.16 0.00 0.02 0.00 0.00 175.30 175.02 2wwq s ALA 93 N 1.20 2.26 -0.03 2.13 0.00 -1.26 -1.23 121.76 124.83 2wwq s ALA 93 Ca -0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 2wwq s ALA 93 Cb -0.14 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2wwq s ALA 93 CO -0.02 0.13 0.08 0.16 0.00 0.00 0.00 175.76 176.11 2wwq s ASP 94 N -3.38 -0.06 0.05 0.00 -4.77 -0.85 -4.89 116.67 102.76 2wwq s ASP 94 Ca 0.25 0.12 -0.31 0.00 -3.30 0.00 0.00 52.55 49.31 2wwq s ASP 94 Cb -0.02 0.16 -0.07 0.00 -1.09 0.00 0.00 42.92 41.90 2wwq s ASP 94 CO 0.10 -0.05 1.50 -0.60 0.70 0.00 0.00 175.17 176.81 2wwq s ARG 95 N -0.09 4.25 -0.09 2.11 3.52 -1.26 -0.99 118.95 126.41 2wwq s ARG 95 Ca -0.01 2.13 0.02 0.00 -0.13 0.00 0.00 55.73 57.74 2wwq s ARG 95 Cb -0.01 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2wwq s ARG 95 CO 0.00 -0.61 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.24 2wwq s ILE 96 N 2.23 1.32 -0.11 4.11 2.07 -0.66 -4.90 121.20 125.27 2wwq s ILE 96 Ca 0.68 -0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 59.25 2wwq s ILE 96 Cb -0.36 -1.21 -0.05 0.00 0.13 0.00 0.00 42.46 40.97 2wwq s ILE 96 CO 0.29 0.40 0.25 -0.76 -1.91 0.00 0.00 174.94 173.22 2wwq s LEU 97 N 0.90 4.35 -0.91 8.50 1.43 -1.26 -0.40 118.68 131.29 2wwq s LEU 97 Ca -0.09 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2wwq s LEU 97 Cb -0.15 -2.29 0.24 0.00 0.03 0.00 0.00 46.19 44.01 2wwq s LEU 97 CO 0.01 0.28 0.86 -0.54 0.23 0.00 0.00 176.35 177.18 2wwq s LYS 98 N -0.50 3.74 0.68 1.70 1.02 0.94 -4.93 119.74 122.39 2wwq s LYS 98 Ca 0.17 -2.71 -0.17 0.00 0.02 0.00 0.00 55.97 53.28 2wwq s LYS 98 Cb -0.13 -4.44 0.01 0.00 -0.52 0.00 0.00 37.83 32.75 2wwq s LYS 98 CO 0.06 -1.27 1.26 0.54 -0.92 0.00 0.00 175.35 175.02 2wwq n ARG 99 N 3.55 0.91 -3.99 1.68 1.74 -1.26 -2.09 116.66 117.21 2wwq n ARG 99 Ca 0.17 0.37 -0.10 0.00 -0.77 0.00 0.00 57.85 57.52 2wwq n ARG 99 Cb 0.44 -2.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.32 2wwq n ARG 99 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wwq s THR 100 N -1.54 0.04 0.15 0.55 2.01 -1.25 -3.60 115.64 112.01 2wwq s THR 100 Ca 0.81 -1.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 2wwq s THR 100 Cb -0.36 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 2wwq s THR 100 CO 0.43 -0.17 0.15 -0.44 -0.69 0.00 0.00 174.62 173.90 2wwq s SER 101 N -3.00 0.19 -0.38 3.53 0.01 -0.37 -2.61 113.70 111.06 2wwq s SER 101 Ca 0.21 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.38 2wwq s SER 101 Cb 0.02 0.36 0.11 0.00 0.21 0.00 0.00 66.02 66.72 2wwq s SER 101 CO 0.04 -0.81 0.12 -1.00 0.41 0.00 0.00 173.24 171.99 2wwq s HIS 102 N -4.04 3.66 0.04 2.43 3.76 0.21 -1.98 115.29 119.38 2wwq s HIS 102 Ca 0.24 -2.87 -0.30 0.00 -0.15 0.00 0.00 55.06 51.97 2wwq s HIS 102 Cb 0.06 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.69 2wwq s HIS 102 CO 0.03 -0.93 1.25 0.42 -0.85 0.00 0.00 174.74 174.65 2wwq s ILE 103 N 0.82 3.95 -0.17 0.60 1.01 -0.70 -0.72 121.20 126.00 2wwq s ILE 103 Ca 0.11 1.37 -0.01 0.00 0.00 0.00 0.00 60.65 62.12 2wwq s ILE 103 Cb -0.21 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.43 2wwq s ILE 103 CO -0.06 0.07 -0.04 -0.89 0.00 0.00 0.00 174.94 174.02 2wwq s THR 104 N 1.47 0.99 -0.08 2.92 2.01 -1.22 -1.46 115.64 120.27 2wwq s THR 104 Ca 0.60 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 2wwq s THR 104 Cb -0.30 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2wwq s THR 104 CO 0.28 0.08 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.59 2wwq s VAL 105 N 1.68 4.26 -0.34 3.82 1.01 -1.18 -1.63 120.40 128.02 2wwq s VAL 105 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2wwq s VAL 105 Cb -0.15 -2.79 0.12 0.00 0.00 0.00 0.00 36.38 33.56 2wwq s VAL 105 CO -0.07 0.60 0.17 -0.69 0.00 0.00 0.00 175.10 175.10 2wwq s VAL 106 N -0.89 0.42 0.25 2.92 1.01 0.46 -2.31 120.40 122.26 2wwq s VAL 106 Ca 0.13 -1.52 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 2wwq s VAL 106 Cb -0.11 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 2wwq s VAL 106 CO 0.03 -0.84 0.55 0.68 0.00 0.00 0.00 175.10 175.51 2wwq s VAL 107 N 1.34 4.96 0.00 2.92 -7.23 -0.97 -2.31 120.40 119.12 2wwq s VAL 107 Ca 0.14 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2wwq s VAL 107 Cb -0.20 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2wwq s VAL 107 CO -0.14 -0.15 0.00 -1.20 -0.31 0.00 0.00 175.10 173.30 2wwq n SER 108 N -0.38 0.00 -4.78 4.85 7.64 -1.07 -1.79 113.62 118.09 2wwq n SER 108 Ca -0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2wwq n SER 108 Cb 0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2wwq n SER 108 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2wwq s ASP 109 N 1.06 5.78 0.00 6.43 -0.00 -1.24 -2.82 116.67 125.88 2wwq s ASP 109 Ca 0.00 2.13 0.26 0.00 -0.00 0.00 0.00 52.55 54.94 2wwq s ASP 109 Cb 0.00 -2.58 0.69 0.00 -0.00 0.00 0.00 42.92 41.03 2wwq s ASP 109 CO 0.00 -1.18 1.54 -1.14 -0.00 0.00 0.00 175.17 174.39