#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqq s LYS 2 N 0.00 4.55 -0.03 1.43 -0.14 -1.26 0.56 119.74 124.85 1oqq s LYS 2 Ca 0.00 1.14 0.01 0.00 -1.36 0.00 0.00 55.97 55.76 1oqq s LYS 2 Cb 0.00 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 1oqq s LYS 2 CO 0.00 0.50 -0.04 0.08 -0.76 0.00 0.00 175.35 175.13 1oqq s VAL 3 N -0.89 0.49 -0.20 3.17 1.01 -0.37 -0.26 120.40 123.35 1oqq s VAL 3 Ca 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1oqq s VAL 3 Cb -0.23 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1oqq s VAL 3 CO 0.26 0.20 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1oqq s VAL 4 N 0.71 3.54 -0.26 2.92 1.01 -0.23 -0.87 120.40 127.20 1oqq s VAL 4 Ca -0.09 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1oqq s VAL 4 Cb -0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1oqq s VAL 4 CO 0.00 0.44 0.10 -0.31 0.00 0.00 0.00 175.10 175.33 1oqq s TYR 5 N 1.15 3.12 -0.26 5.22 1.51 0.68 -1.23 117.35 127.53 1oqq s TYR 5 Ca 0.02 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1oqq s TYR 5 Cb -0.15 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.40 1oqq s TYR 5 CO -0.00 -0.33 0.09 0.08 -1.11 0.00 0.00 175.55 174.27 1oqq s VAL 6 N 1.64 4.37 1.08 0.71 1.01 -0.36 -0.99 120.40 127.86 1oqq s VAL 6 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1oqq s VAL 6 Cb -0.15 -3.09 0.23 0.00 0.00 0.00 0.00 36.38 33.37 1oqq s VAL 6 CO 0.05 0.28 1.11 -0.44 0.00 0.00 0.00 175.10 176.10 1oqq s SER 7 N 1.61 1.93 0.32 3.32 0.01 0.74 -0.83 113.70 120.81 1oqq s SER 7 Ca 0.06 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.27 1oqq s SER 7 Cb -0.16 -1.37 0.53 0.00 0.21 0.00 0.00 66.02 65.24 1oqq s SER 7 CO 0.04 -3.53 1.78 -0.74 0.41 0.00 0.00 173.24 171.21 1oqq h HIS 8 N -2.17 0.41 -0.16 2.43 2.76 -1.86 -2.05 115.15 114.51 1oqq h HIS 8 Ca -0.50 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.59 1oqq h HIS 8 Cb 1.31 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1oqq h HIS 8 CO -0.75 0.58 0.00 -0.40 -1.30 0.00 0.00 177.93 176.06 1oqq n ASP 9 N -4.16 0.87 0.00 3.26 3.85 -1.26 -4.88 116.55 114.24 1oqq n ASP 9 Ca -0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1oqq n ASP 9 Cb 0.37 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 1oqq n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oqq n GLY 10 N 0.76 1.12 3.70 6.12 0.00 -0.77 -5.02 105.19 111.10 1oqq n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1oqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oqq s THR 11 N -3.21 3.00 -0.13 2.61 2.01 -1.26 -4.67 115.64 113.98 1oqq s THR 11 Ca 0.00 0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 1oqq s THR 11 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1oqq s THR 11 CO 0.00 0.02 0.05 -0.13 -0.69 0.00 0.00 174.62 173.87 1oqq s ARG 12 N 1.90 3.46 -0.07 4.92 0.52 -1.26 -0.18 118.95 128.22 1oqq s ARG 12 Ca 0.70 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1oqq s ARG 12 Cb -0.40 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.06 1oqq s ARG 12 CO 0.31 0.55 -0.05 1.03 0.02 0.00 0.00 175.30 177.16 1oqq s ARG 13 N -0.44 1.10 -0.20 3.54 0.52 -0.16 -4.99 118.95 118.32 1oqq s ARG 13 Ca 0.09 -0.14 -0.05 0.00 -0.52 0.00 0.00 55.73 55.11 1oqq s ARG 13 Cb -0.12 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 1oqq s ARG 13 CO 0.02 -0.17 0.01 -2.00 0.02 0.00 0.00 175.30 173.18 1oqq s GLU 14 N 1.35 3.67 0.18 3.54 2.12 -1.26 -0.23 118.70 128.07 1oqq s GLU 14 Ca -0.03 -0.49 0.11 0.00 0.36 0.00 0.00 54.97 54.91 1oqq s GLU 14 Cb -0.14 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1oqq s GLU 14 CO -0.03 0.05 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.01 1oqq s LEU 15 N 0.91 2.50 -0.38 2.70 1.43 -0.05 -4.96 118.68 120.83 1oqq s LEU 15 Ca 0.02 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1oqq s LEU 15 Cb -0.14 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1oqq s LEU 15 CO 0.02 0.13 0.24 -0.62 0.23 0.00 0.00 176.35 176.35 1oqq s ASP 16 N -2.61 5.88 -0.16 2.29 2.15 -1.26 -1.23 116.67 121.73 1oqq s ASP 16 Ca 0.20 -0.88 -0.06 0.00 0.43 0.00 0.00 52.55 52.25 1oqq s ASP 16 Cb -0.08 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 1oqq s ASP 16 CO 0.10 -0.38 0.03 -0.69 -0.17 0.00 0.00 175.17 174.06 1oqq s VAL 17 N 1.62 4.50 0.69 1.11 1.01 0.19 -4.78 120.40 124.75 1oqq s VAL 17 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1oqq s VAL 17 Cb -0.19 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1oqq s VAL 17 CO 0.08 0.50 1.06 0.00 0.00 0.00 0.00 175.10 176.74 1oqq s ALA 18 N 0.11 2.71 0.34 5.51 0.00 -1.26 -1.51 121.76 127.66 1oqq s ALA 18 Ca 0.03 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1oqq s ALA 18 Cb -0.13 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1oqq s ALA 18 CO 0.01 -1.19 1.46 -0.51 0.00 0.00 0.00 175.76 175.54 1oqq s ASP 19 N -3.87 6.47 0.00 0.00 1.01 -1.26 -2.59 116.67 116.43 1oqq s ASP 19 Ca 0.58 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.75 1oqq s ASP 19 Cb -0.14 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1oqq s ASP 19 CO 0.55 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.75 1oqq n GLY 20 N 1.04 1.49 3.79 0.21 0.00 -0.40 -4.98 105.19 106.34 1oqq n GLY 20 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1oqq n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqq s VAL 21 N -3.02 5.08 0.59 1.61 1.01 -1.07 -4.79 120.40 119.81 1oqq s VAL 21 Ca 0.00 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 62.72 1oqq s VAL 21 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1oqq s VAL 21 CO 0.00 0.49 1.02 -0.94 0.00 0.00 0.00 175.10 175.67 1oqq s SER 22 N -0.48 6.29 0.54 3.32 1.04 -1.26 -0.98 113.70 122.17 1oqq s SER 22 Ca 0.24 1.48 0.32 0.00 0.48 0.00 0.00 55.95 58.46 1oqq s SER 22 Cb -0.16 -2.48 1.52 0.00 0.10 0.00 0.00 66.02 65.00 1oqq s SER 22 CO 0.12 -0.82 2.07 -0.07 0.98 0.00 0.00 173.24 175.51 1oqq h LEU 23 N 0.02 0.00 -0.03 2.42 4.07 -0.75 -1.81 115.31 119.23 1oqq h LEU 23 Ca -0.45 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.43 1oqq h LEU 23 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1oqq h LEU 23 CO 0.62 0.08 -0.29 -0.03 -1.08 0.00 0.00 178.44 177.74 1oqq h MET 24 N 0.00 0.25 -0.62 1.13 4.05 -1.78 -2.36 114.93 115.61 1oqq h MET 24 Ca -0.00 -0.23 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 1oqq h MET 24 Cb 0.38 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1oqq h MET 24 CO 0.01 0.90 0.37 1.96 0.23 0.00 0.00 176.91 180.38 1oqq h GLN 25 N -0.32 0.69 -0.70 0.39 4.20 -1.76 -1.19 115.11 116.42 1oqq h GLN 25 Ca -0.03 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1oqq h GLN 25 Cb 0.98 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1oqq h GLN 25 CO 0.06 0.46 0.16 0.00 -0.67 0.00 0.00 178.83 178.84 1oqq h ALA 26 N 1.28 0.92 0.42 3.87 0.00 -1.40 -1.56 119.26 122.80 1oqq h ALA 26 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1oqq h ALA 26 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1oqq h ALA 26 CO -0.12 0.65 -0.20 0.00 0.00 0.00 0.00 179.25 179.58 1oqq h ALA 27 N 1.08 -0.57 0.00 0.00 0.00 -0.89 -2.61 119.26 116.27 1oqq h ALA 27 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1oqq h ALA 27 Cb 0.38 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1oqq h ALA 27 CO 0.00 -0.73 -0.20 -0.39 0.00 0.00 0.00 179.25 177.93 1oqq h VAL 28 N -0.74 0.96 0.00 0.00 -1.51 -1.24 -0.89 116.25 112.83 1oqq h VAL 28 Ca -0.06 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1oqq h VAL 28 Cb 0.52 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1oqq h VAL 28 CO 0.10 0.19 0.00 -0.24 -1.23 0.00 0.00 177.57 176.39 1oqq n SER 29 N -4.05 0.53 -0.56 4.19 2.88 -0.59 -3.59 113.62 112.43 1oqq n SER 29 Ca -0.02 0.58 0.06 0.00 -1.33 0.00 0.00 58.87 58.16 1oqq n SER 29 Cb 0.27 -0.71 0.16 0.00 -0.75 0.00 0.00 64.21 63.18 1oqq n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1oqq n ASN 30 N -2.03 1.70 -0.06 -3.46 3.02 -0.68 -5.00 115.26 108.75 1oqq n ASN 30 Ca 0.05 -3.34 -0.01 0.00 -0.03 0.00 0.00 54.58 51.24 1oqq n ASN 30 Cb 0.33 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1oqq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oqq n GLY 31 N -0.95 0.48 3.06 7.41 0.00 -1.13 -4.94 105.19 109.12 1oqq n GLY 31 Ca 0.15 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1oqq n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1oqq n ILE 32 N -2.88 4.56 0.27 -0.61 5.41 -0.43 -4.77 119.36 120.91 1oqq n ILE 32 Ca -0.01 -4.87 0.14 0.00 1.00 0.00 0.00 62.75 59.01 1oqq n ILE 32 Cb 0.08 -2.34 0.75 0.00 -0.71 0.00 0.00 39.64 37.42 1oqq n ILE 32 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1oqq h TYR 33 N 6.03 0.00 0.00 1.39 -1.99 -1.92 -2.54 116.97 117.95 1oqq h TYR 33 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1oqq h TYR 33 Cb 0.69 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1oqq h TYR 33 CO 1.13 0.10 0.22 -0.40 -0.00 0.00 0.00 178.16 179.21 1oqq n ASP 34 N -3.50 0.16 -4.21 3.88 5.75 -1.26 -3.58 116.55 113.79 1oqq n ASP 34 Ca -0.01 0.43 -0.34 0.00 -0.01 0.00 0.00 54.79 54.86 1oqq n ASP 34 Cb 0.24 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 1oqq n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1oqq s ILE 35 N -2.95 2.64 -0.11 2.12 1.01 -0.96 -4.74 121.20 118.23 1oqq s ILE 35 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1oqq s ILE 35 Cb 0.02 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1oqq s ILE 35 CO 0.06 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.73 1oqq s VAL 36 N 1.35 0.90 -1.25 2.92 1.01 -0.97 -4.63 120.40 119.72 1oqq s VAL 36 Ca 0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1oqq s VAL 36 Cb -0.14 -0.95 0.12 0.00 0.00 0.00 0.00 36.38 35.42 1oqq s VAL 36 CO -0.08 0.34 1.59 -0.83 0.00 0.00 0.00 175.10 176.12 1oqq s GLY 37 N 1.76 2.00 0.18 4.51 0.00 -1.26 -3.59 107.32 110.92 1oqq s GLY 37 Ca 0.05 -3.12 -0.13 0.00 0.00 0.00 0.00 44.72 41.51 1oqq s GLY 37 CO -0.08 2.41 1.78 -1.80 0.00 0.00 0.00 173.10 175.41 1oqq h ASP 38 N 7.40 0.35 0.67 1.64 -0.00 -1.97 -2.17 116.42 122.34 1oqq h ASP 38 Ca 0.38 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.44 1oqq h ASP 38 Cb 0.87 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.17 1oqq h ASP 38 CO 1.36 0.24 -0.10 0.00 -0.00 0.00 0.00 179.24 180.73 1oqq n GLY 40 N 1.40 0.76 0.03 0.00 0.00 -0.82 -4.36 105.19 102.20 1oqq n GLY 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1oqq n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqq n GLY 41 N -2.20 1.30 1.28 -0.02 0.00 -1.26 -5.02 105.19 99.27 1oqq n GLY 41 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1oqq n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqq n SER 42 N 0.03 2.68 -3.94 1.61 3.41 -1.26 -4.88 113.62 111.28 1oqq n SER 42 Ca 0.00 -3.79 -0.28 0.00 -0.26 0.00 0.00 58.87 54.54 1oqq n SER 42 Cb 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1oqq n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqq n ALA 43 N -1.11 -1.65 0.02 7.33 0.00 -1.26 -4.87 120.51 118.97 1oqq n ALA 43 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1oqq n ALA 43 Cb 1.06 -2.87 0.01 0.00 0.00 0.00 0.00 19.45 17.65 1oqq n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1oqq n SER 44 N -2.89 1.54 -1.93 0.00 7.64 -1.26 -4.72 113.62 111.99 1oqq n SER 44 Ca -0.13 -1.46 -0.07 0.00 1.01 0.00 0.00 58.87 58.22 1oqq n SER 44 Cb 0.60 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1oqq n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oqq n ALA 46 N -1.98 2.28 1.63 0.00 0.00 -1.26 -4.84 120.51 116.33 1oqq n ALA 46 Ca -0.06 -1.82 0.15 0.00 0.00 0.00 0.00 53.44 51.71 1oqq n ALA 46 Cb 0.26 -0.58 0.68 0.00 0.00 0.00 0.00 19.45 19.82 1oqq n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oqq n THR 47 N 0.02 0.00 -0.58 0.00 -2.24 -1.26 -3.36 114.28 106.86 1oqq n THR 47 Ca 0.05 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1oqq n THR 47 Cb 0.88 0.01 0.29 0.00 -2.10 0.00 0.00 70.33 69.40 1oqq n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oqq n HIS 49 N 0.68 1.85 -3.87 0.00 -0.00 -1.21 -1.99 115.22 110.69 1oqq n HIS 49 Ca 0.21 0.50 -0.09 0.00 -0.00 0.00 0.00 57.72 58.35 1oqq n HIS 49 Cb 0.77 -2.40 -0.07 0.00 -0.00 0.00 0.00 29.99 28.28 1oqq n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1oqq s VAL 50 N 0.09 0.13 -0.32 3.57 -7.23 -0.07 -4.25 120.40 112.32 1oqq s VAL 50 Ca 0.73 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 59.63 1oqq s VAL 50 Cb -0.74 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1oqq s VAL 50 CO 0.48 -0.58 0.11 -0.31 -0.31 0.00 0.00 175.10 174.49 1oqq s TYR 51 N -3.88 3.19 -0.01 2.82 1.51 0.36 -0.82 117.35 120.53 1oqq s TYR 51 Ca 0.07 -1.06 -0.30 0.00 -1.01 0.00 0.00 57.07 54.77 1oqq s TYR 51 Cb 0.05 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1oqq s TYR 51 CO -0.09 -0.62 1.22 0.08 -1.11 0.00 0.00 175.55 175.03 1oqq s VAL 52 N 1.49 4.14 0.18 0.71 1.01 -0.45 -0.44 120.40 127.04 1oqq s VAL 52 Ca 0.02 1.50 -0.33 0.00 0.00 0.00 0.00 61.98 63.16 1oqq s VAL 52 Cb -0.18 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 1oqq s VAL 52 CO 0.03 0.04 1.29 -3.20 0.00 0.00 0.00 175.10 173.26 1oqq n ASN 53 N 4.82 1.93 0.00 3.32 5.15 -0.28 -4.64 115.26 125.57 1oqq n ASN 53 Ca 0.10 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 1oqq n ASN 53 Cb 0.46 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1oqq n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1oqq n GLU 54 N 2.06 0.00 0.00 1.20 4.07 -1.26 -0.48 120.64 126.22 1oqq n GLU 54 Ca 0.15 0.38 0.14 0.00 -0.06 0.00 0.00 57.16 57.77 1oqq n GLU 54 Cb 0.26 -1.60 0.62 0.00 -0.06 0.00 0.00 31.44 30.66 1oqq n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1oqq n ALA 55 N -1.37 2.69 -0.62 4.31 0.00 -1.26 -3.90 120.51 120.35 1oqq n ALA 55 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1oqq n ALA 55 Cb 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1oqq n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1oqq n PHE 56 N -0.39 0.00 0.19 0.00 3.01 0.36 -4.85 117.46 115.78 1oqq n PHE 56 Ca 0.18 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.80 1oqq n PHE 56 Cb 0.29 0.00 0.77 0.00 -0.01 0.00 0.00 39.48 40.52 1oqq n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1oqq h THR 57 N 0.62 0.65 -0.71 4.37 1.03 -1.54 -1.89 112.91 115.44 1oqq h THR 57 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 66.41 65.92 1oqq h THR 57 Cb 0.31 0.87 -0.30 0.00 -1.07 0.00 0.00 68.15 67.96 1oqq h THR 57 CO 0.00 0.00 -0.17 -0.67 -0.01 0.00 0.00 175.52 174.67 1oqq n ASP 58 N -4.09 4.96 0.06 0.00 4.64 -1.26 -4.45 116.55 116.40 1oqq n ASP 58 Ca 0.02 -3.77 0.00 0.00 -1.38 0.00 0.00 54.79 49.65 1oqq n ASP 58 Cb 0.30 -0.59 0.00 0.00 -1.04 0.00 0.00 41.12 39.79 1oqq n ASP 58 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1oqq n LYS 59 N -0.88 0.00 -1.65 -0.67 4.81 -0.73 -5.06 118.16 113.97 1oqq n LYS 59 Ca 0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.50 1oqq n LYS 59 Cb 0.91 -0.36 0.02 0.00 0.02 0.00 0.00 35.03 35.62 1oqq n LYS 59 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1oqq n VAL 60 N -3.32 2.88 -1.69 3.15 0.24 -1.08 -4.88 118.33 113.62 1oqq n VAL 60 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.37 1oqq n VAL 60 Cb 0.10 -1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 31.12 1oqq n VAL 60 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1oqq n PRO 61 N -0.25 2.18 -1.69 7.34 -0.02 -1.26 -4.92 135.00 136.38 1oqq n PRO 61 Ca 0.09 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 1oqq n PRO 61 Cb 0.42 -2.42 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1oqq n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oqq s ALA 62 N -0.44 2.33 0.32 3.55 0.00 -1.26 -4.95 121.76 121.31 1oqq s ALA 62 Ca 0.63 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 1oqq s ALA 62 Cb -0.59 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 18.88 1oqq s ALA 62 CO 0.54 -1.66 1.26 0.00 0.00 0.00 0.00 175.76 175.91 1oqq s ALA 63 N -1.46 3.47 0.88 0.00 0.00 -1.26 -5.04 121.76 118.36 1oqq s ALA 63 Ca 0.82 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.86 1oqq s ALA 63 Cb -0.37 -3.45 0.18 0.00 0.00 0.00 0.00 23.12 19.49 1oqq s ALA 63 CO 0.41 -0.54 1.21 0.54 0.00 0.00 0.00 175.76 177.38 1oqq s ASN 64 N -0.58 3.48 0.19 0.00 2.20 -1.26 -4.80 114.94 114.17 1oqq s ASN 64 Ca 0.48 -0.05 -0.12 0.00 -0.94 0.00 0.00 52.86 52.23 1oqq s ASN 64 Cb -0.38 -0.08 0.17 0.00 -2.00 0.00 0.00 41.25 38.96 1oqq s ASN 64 CO 0.50 -2.47 1.79 -0.08 -2.94 0.00 0.00 177.10 173.90 1oqq h GLU 65 N -1.25 0.53 -0.35 3.55 4.81 -1.99 -0.88 114.58 119.00 1oqq h GLU 65 Ca -0.41 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1oqq h GLU 65 Cb 1.24 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1oqq h GLU 65 CO 0.36 0.35 0.12 0.00 -0.73 0.00 0.00 179.01 179.11 1oqq h ARG 66 N 0.55 0.26 -0.17 1.92 3.08 -1.94 -0.64 114.38 117.44 1oqq h ARG 66 Ca 0.25 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1oqq h ARG 66 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1oqq h ARG 66 CO -0.17 0.17 0.04 1.49 -1.07 0.00 0.00 179.97 180.44 1oqq h GLU 67 N 0.27 0.28 -0.84 0.04 4.81 -1.76 -1.23 114.58 116.14 1oqq h GLU 67 Ca 0.16 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1oqq h GLU 67 Cb 0.14 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 1oqq h GLU 67 CO -0.17 0.41 0.47 0.82 -0.73 0.00 0.00 179.01 179.81 1oqq h ILE 68 N 0.09 0.86 -0.28 2.32 2.04 -0.90 0.14 117.51 121.78 1oqq h ILE 68 Ca 0.05 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 1oqq h ILE 68 Cb 0.26 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1oqq h ILE 68 CO 0.00 0.14 -0.48 1.23 0.00 0.00 0.00 178.15 179.04 1oqq h GLY 69 N 0.75 0.82 2.00 5.37 0.00 -0.91 -3.19 103.07 107.92 1oqq h GLY 69 Ca 0.42 -0.90 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1oqq h GLY 69 CO -0.28 0.81 -0.54 1.98 0.00 0.00 0.00 176.54 178.51 1oqq h MET 70 N 0.60 0.00 -0.21 4.80 -1.53 -0.43 -3.19 114.93 114.97 1oqq h MET 70 Ca 0.03 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.35 1oqq h MET 70 Cb 1.05 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.09 1oqq h MET 70 CO 0.10 0.54 0.16 -0.07 0.14 0.00 0.00 176.91 177.78 1oqq h LEU 71 N 0.00 0.00 0.00 3.39 3.38 -0.73 -0.56 115.31 120.79 1oqq h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1oqq h LEU 71 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1oqq h LEU 71 CO 0.07 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 1oqq n GLU 72 N -4.42 0.00 0.00 1.13 -0.58 -1.20 -1.91 120.64 113.66 1oqq n GLU 72 Ca 0.02 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 1oqq n GLU 72 Cb 0.30 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.89 1oqq n GLU 72 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1oqq n SER 73 N -1.49 2.00 -4.77 1.62 7.64 -0.22 -4.96 113.62 113.45 1oqq n SER 73 Ca 0.02 -1.53 -0.40 0.00 1.01 0.00 0.00 58.87 57.97 1oqq n SER 73 Cb 0.10 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1oqq n SER 73 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1oqq s VAL 74 N -2.23 2.16 0.02 0.44 -7.23 -0.80 -4.84 120.40 107.93 1oqq s VAL 74 Ca 0.27 0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.60 1oqq s VAL 74 Cb 0.20 -3.09 -0.26 0.00 0.56 0.00 0.00 36.38 33.79 1oqq s VAL 74 CO 0.43 0.02 0.92 0.71 -0.31 0.00 0.00 175.10 176.87 1oqq h THR 75 N 2.41 1.24 -4.37 5.32 1.35 -1.85 -3.47 112.91 113.54 1oqq h THR 75 Ca -0.51 -2.92 -0.46 0.00 -0.55 0.00 0.00 66.41 61.98 1oqq h THR 75 Cb 1.26 2.74 0.12 0.00 -1.73 0.00 0.00 68.15 70.54 1oqq h THR 75 CO 0.62 0.81 0.36 0.00 -0.25 0.00 0.00 175.52 177.06 1oqq s ALA 76 N -2.63 2.20 0.20 6.62 0.00 -1.26 -4.95 121.76 121.94 1oqq s ALA 76 Ca -0.06 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 1oqq s ALA 76 Cb 0.08 -2.96 -0.13 0.00 0.00 0.00 0.00 23.12 20.10 1oqq s ALA 76 CO 0.84 -2.07 1.59 -1.91 0.00 0.00 0.00 175.76 174.22 1oqq n GLU 77 N -3.59 2.35 -2.96 0.00 2.13 -1.26 -4.92 120.64 112.39 1oqq n GLU 77 Ca 0.09 0.85 -0.43 0.00 0.66 0.00 0.00 57.16 58.32 1oqq n GLU 77 Cb 0.60 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 1oqq n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1oqq s LEU 78 N 0.73 4.35 0.36 4.31 2.96 -1.26 -5.02 118.68 125.12 1oqq s LEU 78 Ca 0.75 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1oqq s LEU 78 Cb -0.61 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.28 1oqq s LEU 78 CO 0.39 -1.02 0.51 -0.54 -1.32 0.00 0.00 176.35 174.37 1oqq s LYS 79 N 3.38 3.05 0.52 1.98 1.02 -1.26 -4.99 119.74 123.43 1oqq s LYS 79 Ca 0.27 -1.01 0.18 0.00 0.02 0.00 0.00 55.97 55.43 1oqq s LYS 79 Cb -0.14 -2.78 1.28 0.00 -0.52 0.00 0.00 37.83 35.68 1oqq s LYS 79 CO 0.19 -0.04 2.11 -1.35 -0.92 0.00 0.00 175.35 175.34 1oqq h PRO 80 N 0.79 0.02 -0.64 -1.68 0.11 -2.01 -1.40 132.00 127.18 1oqq h PRO 80 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1oqq h PRO 80 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1oqq h PRO 80 CO 0.52 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 1oqq n ASN 81 N -4.50 4.83 -4.73 -2.05 6.94 -1.26 -4.95 115.26 109.54 1oqq n ASN 81 Ca 0.00 -2.59 -0.41 0.00 -0.02 0.00 0.00 54.58 51.56 1oqq n ASN 81 Cb 0.21 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 36.99 1oqq n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1oqq s SER 82 N -0.80 7.16 0.10 0.53 0.01 -0.53 -1.34 113.70 118.82 1oqq s SER 82 Ca 0.49 2.09 -0.05 0.00 1.31 0.00 0.00 55.95 59.79 1oqq s SER 82 Cb 0.34 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1oqq s SER 82 CO 0.20 -0.34 0.11 -0.13 0.41 0.00 0.00 173.24 173.48 1oqq s ARG 83 N 0.17 0.84 -0.35 12.44 1.81 0.00 -4.94 118.95 128.91 1oqq s ARG 83 Ca 0.53 -1.16 -0.16 0.00 -1.72 0.00 0.00 55.73 53.22 1oqq s ARG 83 Cb -0.30 0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.48 1oqq s ARG 83 CO 0.33 -0.24 0.41 -0.51 -0.68 0.00 0.00 175.30 174.61 1oqq s LEU 84 N -2.93 4.44 0.62 2.53 1.43 -1.26 -0.90 118.68 122.61 1oqq s LEU 84 Ca 0.11 -0.20 0.33 0.00 -1.03 0.00 0.00 54.13 53.35 1oqq s LEU 84 Cb 0.06 -2.42 1.86 0.00 0.03 0.00 0.00 46.19 45.73 1oqq s LEU 84 CO -0.07 -0.40 2.15 0.77 0.23 0.00 0.00 176.35 179.04 1oqq h SER 85 N 8.48 0.00 0.63 2.29 4.64 -1.74 0.32 113.55 128.17 1oqq h SER 85 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1oqq h SER 85 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1oqq h SER 85 CO 0.72 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 1oqq n GLN 87 N -1.45 0.29 -3.35 0.00 1.13 0.10 -4.81 117.38 109.29 1oqq n GLN 87 Ca 0.06 -0.22 -0.43 0.00 -1.94 0.00 0.00 57.00 54.47 1oqq n GLN 87 Cb 0.22 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 1oqq n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oqq s ILE 88 N -2.87 5.12 -0.23 5.09 1.01 -1.03 -5.00 121.20 123.29 1oqq s ILE 88 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1oqq s ILE 88 Cb 0.17 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1oqq s ILE 88 CO 0.76 -0.40 0.18 -0.63 0.00 0.00 0.00 174.94 174.86 1oqq s ILE 89 N 2.05 5.35 0.36 2.92 -1.09 -1.26 -1.26 121.20 128.26 1oqq s ILE 89 Ca 0.11 0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 58.49 1oqq s ILE 89 Cb -0.17 -3.52 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 1oqq s ILE 89 CO 0.13 0.34 1.27 -0.32 -1.23 0.00 0.00 174.94 175.13 1oqq s MET 90 N 1.02 4.24 0.12 2.79 1.75 -0.16 -4.86 119.30 124.20 1oqq s MET 90 Ca 0.09 2.12 -0.13 0.00 -1.25 0.00 0.00 55.69 56.51 1oqq s MET 90 Cb -0.13 -2.95 0.02 0.00 2.84 0.00 0.00 34.83 34.61 1oqq s MET 90 CO 0.04 -0.25 0.32 0.95 -0.65 0.00 0.00 175.02 175.44 1oqq s THR 91 N -1.21 0.09 0.53 10.11 -4.23 -1.26 -1.27 115.64 118.40 1oqq s THR 91 Ca 0.52 -0.85 0.25 0.00 -1.18 0.00 0.00 61.69 60.43 1oqq s THR 91 Cb -0.37 -1.28 0.39 0.00 1.34 0.00 0.00 72.50 72.58 1oqq s THR 91 CO 0.49 -0.43 2.00 -0.65 -0.54 0.00 0.00 174.62 175.49 1oqq h PRO 92 N 2.51 0.00 0.00 3.99 0.11 -1.96 -0.46 132.00 136.19 1oqq h PRO 92 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1oqq h PRO 92 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1oqq h PRO 92 CO 0.50 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.22 1oqq h GLU 93 N 0.00 0.00 -0.42 1.05 3.07 -1.99 -2.12 114.58 114.16 1oqq h GLU 93 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1oqq h GLU 93 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1oqq h GLU 93 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1oqq n LEU 94 N -2.36 3.49 -4.65 1.33 4.77 -0.18 -4.98 117.00 114.41 1oqq n LEU 94 Ca 0.00 -1.56 -0.49 0.00 -0.03 0.00 0.00 56.01 53.93 1oqq n LEU 94 Cb 0.15 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1oqq n LEU 94 CO 0.16 0.77 1.18 -0.67 -1.33 0.00 0.00 177.39 177.50 1oqq n ASP 95 N 1.47 2.75 0.00 -1.43 -0.08 -0.80 -1.29 116.55 117.17 1oqq n ASP 95 Ca 0.19 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1oqq n ASP 95 Cb 0.60 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1oqq n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1oqq n GLY 96 N 3.41 0.69 3.72 0.27 0.00 0.64 -4.90 105.19 109.02 1oqq n GLY 96 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1oqq n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1oqq n ILE 97 N -2.00 2.41 -5.02 -0.61 3.06 -0.42 -4.73 119.36 112.05 1oqq n ILE 97 Ca 0.00 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.46 1oqq n ILE 97 Cb 0.00 -1.69 -0.16 0.00 0.54 0.00 0.00 39.64 38.33 1oqq n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1oqq s VAL 98 N -1.17 1.73 -0.01 9.51 1.01 -1.26 -1.07 120.40 129.14 1oqq s VAL 98 Ca 0.59 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1oqq s VAL 98 Cb -0.50 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1oqq s VAL 98 CO 0.60 0.49 -0.12 0.68 0.00 0.00 0.00 175.10 176.75 1oqq s VAL 99 N 0.15 0.94 -0.19 2.92 -7.23 -0.37 -1.12 120.40 115.50 1oqq s VAL 99 Ca -0.09 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 1oqq s VAL 99 Cb -0.15 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 1oqq s VAL 99 CO 0.05 0.27 0.17 -1.81 -0.31 0.00 0.00 175.10 173.47 1oqq s ASP 100 N -0.20 6.28 -0.11 4.85 -0.00 0.42 -1.23 116.67 126.68 1oqq s ASP 100 Ca 0.03 0.31 -0.24 0.00 -0.00 0.00 0.00 52.55 52.65 1oqq s ASP 100 Cb -0.05 -2.11 -0.03 0.00 -0.00 0.00 0.00 42.92 40.72 1oqq s ASP 100 CO -0.00 0.16 0.76 -0.69 -0.00 0.00 0.00 175.17 175.41 1oqq s VAL 101 N 0.35 4.97 0.79 -1.27 1.01 -0.01 -0.48 120.40 125.76 1oqq s VAL 101 Ca 0.10 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 1oqq s VAL 101 Cb -0.12 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1oqq s VAL 101 CO -0.00 0.15 1.21 -2.16 0.00 0.00 0.00 175.10 174.30 1oqq s PRO 102 N 1.38 1.74 0.56 2.72 0.04 -1.26 -3.65 135.00 136.53 1oqq s PRO 102 Ca 0.38 1.76 0.26 0.00 0.04 0.00 0.00 61.00 63.44 1oqq s PRO 102 Cb -0.17 -1.79 1.49 0.00 0.04 0.00 0.00 34.50 34.07 1oqq s PRO 102 CO 0.16 -2.14 2.06 -0.44 0.04 0.00 0.00 177.00 176.68 1oqq h ASP 103 N -0.77 0.00 -5.04 6.66 3.45 -1.96 -3.44 116.42 115.33 1oqq h ASP 103 Ca -0.47 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.93 1oqq h ASP 103 Cb 1.30 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 39.92 1oqq h ASP 103 CO 0.47 0.00 -0.03 0.00 -1.57 0.00 0.00 179.24 178.11 1oqq s ARG 104 N -4.84 1.03 0.00 3.56 1.70 -1.26 -5.02 118.95 114.12 1oqq s ARG 104 Ca -0.05 -0.45 0.02 0.00 -0.47 0.00 0.00 55.73 54.78 1oqq s ARG 104 Cb 0.17 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 35.04 1oqq s ARG 104 CO 0.63 -0.38 0.76 1.04 -1.08 0.00 0.00 175.30 176.27 1oqq n GLN 105 N 0.17 0.81 0.00 3.89 1.13 -1.26 -4.05 117.38 118.07 1oqq n GLN 105 Ca -0.18 -1.02 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 1oqq n GLN 105 Cb 0.62 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.93 1oqq n GLN 105 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95