#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whq h SER -2 N 0.00 0.25 -0.63 1.61 4.64 -1.97 -3.42 113.55 114.03 1whq h SER -2 Ca 0.00 -0.77 -0.40 0.00 -0.47 0.00 0.00 61.79 60.15 1whq h SER -2 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.96 1whq h SER -2 CO 0.00 1.64 1.22 -0.44 -0.87 0.00 0.00 176.83 178.37 1whq s SER -1 N -6.96 5.45 0.14 4.97 0.01 -1.26 -4.88 113.70 111.18 1whq s SER -1 Ca -0.24 -1.58 -0.03 0.00 1.31 0.00 0.00 55.95 55.42 1whq s SER -1 Cb 0.05 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1whq s SER -1 CO 0.70 -2.59 0.11 -0.83 0.41 0.00 0.00 173.24 171.04 1whq s GLY 0 N 6.34 0.90 0.11 3.44 0.00 -1.26 -5.06 107.32 111.79 1whq s GLY 0 Ca 0.65 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1whq s GLY 0 CO 0.08 -1.25 1.61 1.76 0.00 0.00 0.00 173.10 175.30 1whq h SER 1 N 2.79 0.48 -3.75 1.64 0.02 -1.98 -3.39 113.55 109.36 1whq h SER 1 Ca -0.34 -0.22 -0.68 0.00 -0.84 0.00 0.00 61.79 59.71 1whq h SER 1 Cb 1.21 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 63.26 1whq h SER 1 CO 0.56 0.58 -0.72 -0.44 -1.14 0.00 0.00 176.83 175.68 1whq s SER 2 N -5.87 4.77 0.00 3.07 0.01 -1.26 -5.10 113.70 109.32 1whq s SER 2 Ca -0.13 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.53 1whq s SER 2 Cb 0.09 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1whq s SER 2 CO 0.75 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1whq n GLY 3 N 4.48 3.97 0.00 3.44 0.00 -1.26 -5.08 105.19 110.74 1whq n GLY 3 Ca -0.08 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.77 1whq n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1whq n ILE 4 N -0.24 0.03 -0.24 -0.61 0.13 -1.26 -4.70 119.36 112.47 1whq n ILE 4 Ca 0.00 -0.02 -0.06 0.00 -1.10 0.00 0.00 62.75 61.57 1whq n ILE 4 Cb 0.00 -0.94 0.08 0.00 -0.84 0.00 0.00 39.64 37.94 1whq n ILE 4 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1whq h LYS 5 N 0.00 1.09 -0.03 9.51 5.09 -1.92 -2.03 116.57 128.27 1whq h LYS 5 Ca -0.01 -0.24 0.01 0.00 0.09 0.00 0.00 60.65 60.50 1whq h LYS 5 Cb 1.02 -0.15 -0.00 0.00 0.10 0.00 0.00 32.23 33.20 1whq h LYS 5 CO 0.00 0.95 0.08 -0.97 -2.09 0.00 0.00 179.45 177.41 1whq h ASN 6 N 1.04 0.00 0.00 7.07 -0.73 -1.99 -1.16 115.58 119.80 1whq h ASN 6 Ca 0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1whq h ASN 6 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1whq h ASN 6 CO -0.00 0.00 -0.04 0.15 -0.37 0.00 0.00 177.43 177.17 1whq h PHE 7 N 0.00 0.00 -0.99 0.67 3.57 -1.66 -3.05 116.94 115.49 1whq h PHE 7 Ca 0.02 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.74 1whq h PHE 7 Cb 0.17 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 1whq h PHE 7 CO 0.00 0.00 0.63 1.25 -2.23 0.00 0.00 178.31 177.96 1whq h LEU 8 N -0.68 0.52 -0.07 0.59 5.85 -1.36 0.87 115.31 121.03 1whq h LEU 8 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1whq h LEU 8 Cb 0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1whq h LEU 8 CO 0.00 0.16 0.02 0.22 -0.34 0.00 0.00 178.44 178.50 1whq h TYR 9 N 0.49 0.11 -0.65 1.25 3.20 -1.36 0.27 116.97 120.29 1whq h TYR 9 Ca 0.55 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.35 1whq h TYR 9 Cb 1.24 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1whq h TYR 9 CO -0.00 0.28 0.17 0.00 -1.64 0.00 0.00 178.16 176.97 1whq h ALA 10 N 0.82 1.07 -0.24 1.82 0.00 -0.97 -1.14 119.26 120.61 1whq h ALA 10 Ca 0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1whq h ALA 10 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1whq h ALA 10 CO -0.00 0.62 -0.56 2.35 0.00 0.00 0.00 179.25 181.66 1whq h TRP 11 N 0.97 0.93 -0.52 0.00 7.01 -0.78 -3.19 115.95 120.37 1whq h TRP 11 Ca 0.21 -0.33 -0.09 0.00 2.11 0.00 0.00 58.89 60.79 1whq h TRP 11 Cb 0.33 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1whq h TRP 11 CO 0.02 1.13 -0.01 0.00 -2.79 0.00 0.00 178.44 176.79 1whq h GLY 13 N 0.79 1.48 0.88 0.00 0.00 -1.20 0.21 103.07 105.23 1whq h GLY 13 Ca 0.15 -0.34 0.12 0.00 0.00 0.00 0.00 47.33 47.26 1whq h GLY 13 CO 0.03 0.07 0.45 0.50 0.00 0.00 0.00 176.54 177.59 1whq h LYS 14 N 0.80 0.41 -0.46 4.80 1.57 -1.53 0.30 116.57 122.46 1whq h LYS 14 Ca 0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1whq h LYS 14 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1whq h LYS 14 CO -0.30 0.27 0.00 0.54 -0.57 0.00 0.00 179.45 179.39 1whq n ARG 15 N -4.47 2.34 -3.44 3.15 1.74 -0.03 -4.95 116.66 111.00 1whq n ARG 15 Ca 0.12 -2.05 -0.17 0.00 -0.77 0.00 0.00 57.85 54.98 1whq n ARG 15 Cb 0.44 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.49 1whq n ARG 15 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1whq n LYS 16 N 1.21 -6.20 -4.31 5.56 0.00 0.10 -5.02 118.16 109.50 1whq n LYS 16 Ca 0.19 0.84 -0.17 0.00 0.00 0.00 0.00 58.31 59.17 1whq n LYS 16 Cb 0.52 -5.82 -0.10 0.00 0.00 0.00 0.00 35.03 29.63 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1whq s MET 17 N -5.33 1.25 -0.10 1.64 -1.94 -0.64 -5.00 119.30 109.18 1whq s MET 17 Ca 0.03 -1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 52.39 1whq s MET 17 Cb -0.00 -0.72 0.04 0.00 2.01 0.00 0.00 34.83 36.15 1whq s MET 17 CO 0.74 0.01 0.07 0.99 -0.01 0.00 0.00 175.02 176.81 1whq s THR 18 N -3.30 -0.02 0.16 2.05 2.01 -1.26 -3.97 115.64 111.31 1whq s THR 18 Ca 0.24 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1whq s THR 18 Cb 0.04 -0.40 -0.08 0.00 0.01 0.00 0.00 72.50 72.06 1whq s THR 18 CO 0.06 -0.02 1.33 -2.16 -0.69 0.00 0.00 174.62 173.14 1whq s PRO 19 N 2.12 4.37 -0.27 4.92 0.04 -1.26 -4.86 135.00 140.06 1whq s PRO 19 Ca 0.03 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1whq s PRO 19 Cb -0.14 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1whq s PRO 19 CO -0.06 -0.31 0.42 0.00 0.04 0.00 0.00 177.00 177.09 1whq s ALA 20 N 0.47 3.57 -0.30 8.56 0.00 -1.10 -4.95 121.76 128.01 1whq s ALA 20 Ca 0.59 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1whq s ALA 20 Cb -0.36 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1whq s ALA 20 CO 0.35 -0.72 0.12 0.71 0.00 0.00 0.00 175.76 176.22 1whq s TYR 21 N 2.15 3.15 -0.05 0.00 2.02 -1.26 -3.09 117.35 120.28 1whq s TYR 21 Ca 0.17 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1whq s TYR 21 Cb -0.16 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1whq s TYR 21 CO 0.10 -0.48 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.57 1whq s GLU 22 N 1.58 0.68 -0.15 -0.62 2.56 -1.24 -5.04 118.70 116.46 1whq s GLU 22 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.97 54.93 1whq s GLU 22 Cb -0.17 -0.80 -0.04 0.00 2.00 0.00 0.00 34.13 35.13 1whq s GLU 22 CO 0.05 -0.14 0.04 0.42 -0.56 0.00 0.00 175.26 175.07 1whq s ILE 23 N 1.15 4.63 0.26 -3.70 1.09 -1.26 -2.88 121.20 120.48 1whq s ILE 23 Ca -0.08 -0.10 0.07 0.00 -1.10 0.00 0.00 60.65 59.44 1whq s ILE 23 Cb -0.14 -3.04 -0.03 0.00 -1.06 0.00 0.00 42.46 38.18 1whq s ILE 23 CO -0.01 0.51 0.23 -0.60 -0.10 0.00 0.00 174.94 174.97 1whq s ARG 24 N 0.01 3.00 -0.23 2.79 3.52 -0.47 -4.91 118.95 122.65 1whq s ARG 24 Ca 0.05 -1.02 -0.06 0.00 -0.13 0.00 0.00 55.73 54.57 1whq s ARG 24 Cb -0.12 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1whq s ARG 24 CO 0.01 0.38 0.02 0.00 -0.81 0.00 0.00 175.30 174.90 1whq s ALA 25 N -2.12 3.02 0.24 6.12 0.00 -1.26 -2.17 121.76 125.58 1whq s ALA 25 Ca 0.34 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1whq s ALA 25 Cb -0.08 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1whq s ALA 25 CO 0.26 -0.37 0.22 0.14 0.00 0.00 0.00 175.76 176.00 1whq s VAL 26 N 1.39 0.00 0.00 0.00 -7.23 -1.09 -5.03 120.40 108.44 1whq s VAL 26 Ca 0.05 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1whq s VAL 26 Cb -0.15 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1whq s VAL 26 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1whq n GLY 27 N -0.38 0.73 3.82 2.32 0.00 -1.26 -1.45 105.19 108.96 1whq n GLY 27 Ca 0.03 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1whq n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1whq s ASN 28 N -0.60 5.30 0.34 1.61 -0.87 -0.90 -4.88 114.94 114.95 1whq s ASN 28 Ca 0.00 1.63 0.09 0.00 -1.57 0.00 0.00 52.86 53.01 1whq s ASN 28 Cb 0.00 -2.49 0.83 0.00 -0.02 0.00 0.00 41.25 39.57 1whq s ASN 28 CO 0.00 -1.50 1.83 0.07 -2.57 0.00 0.00 177.10 174.93 1whq h LYS 29 N -0.75 0.66 -0.01 -0.60 2.10 -2.02 -1.99 116.57 113.96 1whq h LYS 29 Ca -0.44 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1whq h LYS 29 Cb 1.21 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1whq h LYS 29 CO 0.56 0.44 -0.05 -0.97 -2.00 0.00 0.00 179.45 177.43 1whq h ASN 30 N 0.68 0.06 -3.46 7.07 -0.73 -2.01 -3.40 115.58 113.80 1whq h ASN 30 Ca 0.51 -0.68 -0.76 0.00 1.87 0.00 0.00 56.30 57.24 1whq h ASN 30 Cb 0.88 -0.02 -0.27 0.00 0.27 0.00 0.00 38.32 39.19 1whq h ASN 30 CO -0.27 0.73 -0.15 -0.60 -0.37 0.00 0.00 177.43 176.77 1whq s ARG 31 N -3.51 3.07 0.17 6.67 3.52 -0.75 -5.06 118.95 123.06 1whq s ARG 31 Ca -0.17 -2.04 -0.20 0.00 -0.13 0.00 0.00 55.73 53.19 1whq s ARG 31 Cb 0.00 -4.23 -0.08 0.00 -1.56 0.00 0.00 34.95 29.08 1whq s ARG 31 CO 0.70 -1.28 0.69 -0.65 -0.81 0.00 0.00 175.30 173.94 1whq s GLN 32 N 0.94 4.29 0.08 5.12 -0.21 -1.21 -2.11 119.66 126.55 1whq s GLN 32 Ca 0.10 0.87 0.02 0.00 0.02 0.00 0.00 55.36 56.37 1whq s GLN 32 Cb -0.22 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 1whq s GLN 32 CO -0.02 0.50 -0.07 0.21 -2.12 0.00 0.00 175.29 173.79 1whq s LYS 33 N -1.60 0.74 -0.12 2.91 2.47 -0.53 -4.85 119.74 118.77 1whq s LYS 33 Ca 0.38 -1.16 0.01 0.00 -1.56 0.00 0.00 55.97 53.64 1whq s LYS 33 Cb -0.19 -0.22 0.02 0.00 -1.46 0.00 0.00 37.83 35.99 1whq s LYS 33 CO 0.22 -0.00 -0.13 -0.06 0.16 0.00 0.00 175.35 175.53 1whq s PHE 34 N -2.97 1.88 -0.39 4.03 0.08 -0.47 -2.69 117.98 117.45 1whq s PHE 34 Ca 0.05 -0.93 -0.10 0.00 0.12 0.00 0.00 56.93 56.07 1whq s PHE 34 Cb 0.01 -1.40 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1whq s PHE 34 CO -0.03 -0.52 0.22 -1.64 -0.10 0.00 0.00 175.22 173.15 1whq s MET 35 N 1.24 2.71 -0.21 0.44 -1.94 -0.92 -2.57 119.30 118.05 1whq s MET 35 Ca -0.02 -1.26 -0.12 0.00 -1.71 0.00 0.00 55.69 52.58 1whq s MET 35 Cb -0.14 -3.74 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 1whq s MET 35 CO -0.05 -0.81 0.22 0.00 -0.01 0.00 0.00 175.02 174.36 1whq s GLU 37 N 0.81 0.91 -0.15 0.00 -1.05 -1.14 -0.25 118.70 117.83 1whq s GLU 37 Ca 0.11 -0.08 -0.05 0.00 -0.15 0.00 0.00 54.97 54.81 1whq s GLU 37 Cb -0.13 -1.03 -0.03 0.00 -0.44 0.00 0.00 34.13 32.50 1whq s GLU 37 CO 0.03 -0.18 0.02 0.54 0.95 0.00 0.00 175.26 176.62 1whq s VAL 38 N 1.37 4.39 -0.01 1.83 0.11 0.55 -3.62 120.40 125.03 1whq s VAL 38 Ca -0.04 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1whq s VAL 38 Cb -0.13 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1whq s VAL 38 CO -0.03 0.52 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.90 1whq s ARG 39 N -0.01 2.14 -0.10 1.54 0.52 -1.18 -1.79 118.95 120.06 1whq s ARG 39 Ca 0.04 -0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1whq s ARG 39 Cb -0.13 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.25 1whq s ARG 39 CO 0.02 0.56 -0.04 0.08 0.02 0.00 0.00 175.30 175.94 1whq s VAL 40 N -0.70 0.76 0.28 3.52 1.01 -1.26 -2.71 120.40 121.30 1whq s VAL 40 Ca 0.11 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1whq s VAL 40 Cb -0.10 -0.86 -0.14 0.00 0.00 0.00 0.00 36.38 35.27 1whq s VAL 40 CO 0.00 0.29 0.98 1.21 0.00 0.00 0.00 175.10 177.59 1whq n GLU 41 N 5.02 1.25 0.00 2.72 2.13 -1.26 -1.88 120.64 128.62 1whq n GLU 41 Ca -0.10 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1whq n GLU 41 Cb 0.50 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1whq n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whq n GLY 42 N 1.31 3.08 3.84 8.31 0.00 -1.26 -5.02 105.19 115.45 1whq n GLY 42 Ca 0.10 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1whq n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whq s PHE 43 N -1.43 3.42 -0.05 1.61 0.08 -0.79 -5.02 117.98 115.80 1whq s PHE 43 Ca 0.00 0.28 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1whq s PHE 43 Cb 0.00 -1.78 -0.31 0.00 -0.57 0.00 0.00 43.02 40.36 1whq s PHE 43 CO 0.00 0.60 0.70 -0.91 -0.10 0.00 0.00 175.22 175.51 1whq h ASN 44 N 3.93 0.62 -4.06 1.36 2.35 -1.96 -3.43 115.58 114.39 1whq h ASN 44 Ca -0.49 -0.93 -0.51 0.00 -0.55 0.00 0.00 56.30 53.82 1whq h ASN 44 Cb 1.18 -0.20 0.08 0.00 0.05 0.00 0.00 38.32 39.43 1whq h ASN 44 CO 0.66 1.75 0.46 -0.47 -1.65 0.00 0.00 177.43 178.18 1whq s TYR 45 N -2.56 2.69 -0.09 1.19 5.04 -1.26 -5.02 117.35 117.33 1whq s TYR 45 Ca -0.16 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 1whq s TYR 45 Cb 0.05 -3.36 0.03 0.00 0.35 0.00 0.00 41.96 39.03 1whq s TYR 45 CO 0.86 -1.68 -0.01 0.00 -1.34 0.00 0.00 175.55 173.38 1whq s ALA 46 N -1.66 0.83 -0.28 3.97 0.00 -1.26 -4.62 121.76 118.73 1whq s ALA 46 Ca 0.70 -0.24 -0.39 0.00 0.00 0.00 0.00 51.96 52.03 1whq s ALA 46 Cb -0.27 -0.81 -0.15 0.00 0.00 0.00 0.00 23.12 21.90 1whq s ALA 46 CO 0.31 -0.51 1.82 0.41 0.00 0.00 0.00 175.76 177.79 1whq n GLY 47 N 5.11 0.84 3.56 0.00 0.00 -0.74 -4.66 105.19 109.29 1whq n GLY 47 Ca -0.08 0.93 -0.33 0.00 0.00 0.00 0.00 46.02 46.54 1whq n GLY 47 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1whq s MET 48 N 3.95 2.67 -0.09 1.61 0.23 -1.26 -0.33 119.30 126.08 1whq s MET 48 Ca 1.00 -0.60 -0.07 0.00 -1.03 0.00 0.00 55.69 54.99 1whq s MET 48 Cb -1.04 -2.53 0.03 0.00 -1.53 0.00 0.00 34.83 29.76 1whq s MET 48 CO 0.63 0.65 0.23 0.20 -2.03 0.00 0.00 175.02 174.71 1whq s GLY 49 N -0.85 -0.16 -0.07 3.16 0.00 0.65 -4.19 107.32 105.85 1whq s GLY 49 Ca 0.13 0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.65 1whq s GLY 49 CO 0.02 0.77 -0.23 0.54 0.00 0.00 0.00 173.10 174.21 1whq s ASN 50 N 0.47 3.27 0.19 1.64 4.22 -1.26 -0.98 114.94 122.49 1whq s ASN 50 Ca -0.03 -0.47 -0.23 0.00 -2.14 0.00 0.00 52.86 49.98 1whq s ASN 50 Cb -0.04 -1.05 0.05 0.00 1.28 0.00 0.00 41.25 41.49 1whq s ASN 50 CO -0.02 0.23 0.91 -0.44 -2.04 0.00 0.00 177.10 175.73 1whq s SER 51 N -0.05 -0.17 0.18 3.54 0.01 -1.06 -4.82 113.70 111.34 1whq s SER 51 Ca -0.06 -0.50 0.11 0.00 1.31 0.00 0.00 55.95 56.80 1whq s SER 51 Cb -0.15 0.56 -0.09 0.00 0.21 0.00 0.00 66.02 66.55 1whq s SER 51 CO 0.05 -1.04 1.33 0.74 0.41 0.00 0.00 173.24 174.72 1whq h THR 52 N 2.00 1.31 -2.62 1.44 2.02 -1.88 -1.25 112.91 113.92 1whq h THR 52 Ca -0.24 -2.86 -0.63 0.00 0.77 0.00 0.00 66.41 63.45 1whq h THR 52 Cb 1.23 2.64 -0.16 0.00 -1.74 0.00 0.00 68.15 70.13 1whq h THR 52 CO 0.26 0.75 -0.78 0.54 0.37 0.00 0.00 175.52 176.66 1whq s ASN 53 N -6.57 3.57 0.10 4.18 2.20 -1.26 -4.51 114.94 112.65 1whq s ASN 53 Ca 0.02 -0.94 -0.15 0.00 -0.94 0.00 0.00 52.86 50.84 1whq s ASN 53 Cb 0.09 -0.31 -0.09 0.00 -2.00 0.00 0.00 41.25 38.95 1whq s ASN 53 CO 0.79 0.07 1.42 0.11 -2.94 0.00 0.00 177.10 176.55 1whq h LYS 54 N 2.65 0.67 -0.58 3.55 1.57 -1.94 -2.33 116.57 120.17 1whq h LYS 54 Ca -0.43 -0.34 0.06 0.00 -1.87 0.00 0.00 60.65 58.07 1whq h LYS 54 Cb 1.24 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 1whq h LYS 54 CO 0.55 0.95 -0.53 0.87 -0.57 0.00 0.00 179.45 180.73 1whq h LYS 55 N 0.41 -0.22 0.37 3.15 6.56 -1.98 0.11 116.57 124.97 1whq h LYS 55 Ca 0.05 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1whq h LYS 55 Cb 0.82 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1whq h LYS 55 CO 0.06 -0.15 -0.18 0.22 -2.06 0.00 0.00 179.45 177.35 1whq h ASP 56 N -0.23 -0.42 -1.00 0.86 3.58 -1.89 -3.00 116.42 114.33 1whq h ASP 56 Ca 0.10 -0.10 0.35 0.00 0.42 0.00 0.00 57.03 57.80 1whq h ASP 56 Cb 0.49 0.11 -0.18 0.00 1.72 0.00 0.00 39.33 41.46 1whq h ASP 56 CO -0.67 -0.14 0.32 0.00 -2.88 0.00 0.00 179.24 175.87 1whq h ALA 57 N -0.15 1.73 -0.25 -0.78 0.00 -0.88 0.70 119.26 119.63 1whq h ALA 57 Ca -0.05 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1whq h ALA 57 Cb 0.49 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1whq h ALA 57 CO 0.08 -0.78 0.15 1.96 0.00 0.00 0.00 179.25 180.66 1whq h GLN 58 N 0.02 0.34 -0.66 0.00 1.08 -0.65 -1.91 115.11 113.32 1whq h GLN 58 Ca 0.74 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.92 1whq h GLN 58 Cb 1.79 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 29.11 1whq h GLN 58 CO -0.83 0.28 0.42 0.77 -0.95 0.00 0.00 178.83 178.52 1whq h SER 59 N 0.30 0.70 -0.18 1.46 0.02 0.44 -2.19 113.55 114.10 1whq h SER 59 Ca 0.09 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1whq h SER 59 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1whq h SER 59 CO -0.02 0.49 0.07 0.78 -1.14 0.00 0.00 176.83 177.02 1whq h ASN 60 N 0.84 0.08 0.29 3.07 4.21 -0.97 -1.03 115.58 122.07 1whq h ASN 60 Ca 0.26 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.77 1whq h ASN 60 Cb -0.02 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1whq h ASN 60 CO -0.09 0.07 -0.28 0.00 -1.29 0.00 0.00 177.43 175.85 1whq h ALA 61 N 1.10 -0.98 -0.60 -0.83 0.00 -1.01 0.05 119.26 116.99 1whq h ALA 61 Ca 0.08 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1whq h ALA 61 Cb 0.04 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 1whq h ALA 61 CO -0.07 -1.00 -0.20 0.00 0.00 0.00 0.00 179.25 177.98 1whq h ALA 62 N -1.31 0.28 -0.97 0.00 0.00 -1.39 0.16 119.26 116.03 1whq h ALA 62 Ca -0.04 0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 62 Cb 0.48 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1whq h ALA 62 CO -0.03 -0.50 0.60 0.00 0.00 0.00 0.00 179.25 179.33 1whq h ARG 63 N -0.06 0.95 0.80 0.00 3.08 -1.01 -1.27 114.38 116.88 1whq h ARG 63 Ca 0.28 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1whq h ARG 63 Cb 0.49 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1whq h ARG 63 CO -0.64 0.63 -0.41 0.22 -1.07 0.00 0.00 179.97 178.70 1whq h ASP 64 N 0.98 -0.98 -0.86 7.04 1.82 0.13 -2.85 116.42 121.71 1whq h ASP 64 Ca 0.47 0.04 0.14 0.00 -0.39 0.00 0.00 57.03 57.29 1whq h ASP 64 Cb 0.43 0.26 -0.09 0.00 0.68 0.00 0.00 39.33 40.61 1whq h ASP 64 CO -0.25 -0.68 0.46 0.15 -1.61 0.00 0.00 179.24 177.31 1whq h PHE 65 N -1.11 0.81 -0.44 0.28 3.57 -0.98 -1.88 116.94 117.18 1whq h PHE 65 Ca -0.11 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1whq h PHE 65 Cb 0.86 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 39.27 1whq h PHE 65 CO -0.03 0.22 -0.26 0.28 -2.23 0.00 0.00 178.31 176.29 1whq h VAL 66 N 0.67 0.31 -0.67 1.41 2.07 -1.02 -0.45 116.25 118.57 1whq h VAL 66 Ca 0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.02 1whq h VAL 66 Cb 0.61 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1whq h VAL 66 CO -0.34 0.00 0.41 -0.55 0.02 0.00 0.00 177.57 177.11 1whq h ASN 67 N -0.17 0.65 -0.57 0.57 7.08 -1.13 -1.36 115.58 120.65 1whq h ASN 67 Ca 0.20 0.01 0.09 0.00 -3.08 0.00 0.00 56.30 53.52 1whq h ASN 67 Cb 0.49 -0.13 -0.03 0.00 -2.08 0.00 0.00 38.32 36.57 1whq h ASN 67 CO -0.54 0.44 0.38 0.22 -2.08 0.00 0.00 177.43 175.85 1whq h TYR 68 N 0.78 0.42 -0.26 4.14 3.20 -0.82 -1.29 116.97 123.15 1whq h TYR 68 Ca 0.28 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.06 1whq h TYR 68 Cb 0.08 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1whq h TYR 68 CO -0.06 0.21 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.36 1whq h LEU 69 N 0.40 0.65 -1.31 2.82 3.38 -0.12 -2.80 115.31 118.34 1whq h LEU 69 Ca 0.26 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1whq h LEU 69 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1whq h LEU 69 CO -0.07 0.99 -0.06 0.58 0.09 0.00 0.00 178.44 179.96 1whq h VAL 70 N 0.33 1.19 -0.53 1.22 2.07 -0.89 0.25 116.25 119.88 1whq h VAL 70 Ca 0.04 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1whq h VAL 70 Cb 0.80 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1whq h VAL 70 CO 0.06 0.26 -0.00 0.03 0.02 0.00 0.00 177.57 177.94 1whq h ARG 71 N 0.37 0.94 -0.55 1.57 2.47 -1.19 -2.36 114.38 115.63 1whq h ARG 71 Ca 0.08 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1whq h ARG 71 Cb 0.35 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1whq h ARG 71 CO 0.02 0.95 0.00 0.44 0.56 0.00 0.00 179.97 181.94 1whq n ILE 72 N -4.28 0.42 -3.79 2.04 -5.35 -1.03 -4.86 119.36 102.51 1whq n ILE 72 Ca 0.01 -0.27 -0.28 0.00 -0.27 0.00 0.00 62.75 61.95 1whq n ILE 72 Cb 0.33 -0.18 0.05 0.00 -1.74 0.00 0.00 39.64 38.09 1whq n ILE 72 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1whq n ASN 73 N 0.06 -5.37 -0.03 7.28 4.13 -0.89 -4.87 115.26 115.57 1whq n ASN 73 Ca 0.06 -0.69 0.03 0.00 1.68 0.00 0.00 54.58 55.66 1whq n ASN 73 Cb 0.30 -4.35 -0.12 0.00 -1.54 0.00 0.00 39.78 34.07 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1whq n GLU 74 N -4.81 0.83 -4.07 3.52 -0.58 0.84 -4.98 120.64 111.39 1whq n GLU 74 Ca 0.02 -0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.52 1whq n GLU 74 Cb 0.54 -1.39 -0.14 0.00 -0.57 0.00 0.00 31.44 29.88 1whq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1whq s VAL 75 N -2.88 0.30 -0.16 2.62 1.01 -1.11 -4.93 120.40 115.26 1whq s VAL 75 Ca -0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1whq s VAL 75 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1whq s VAL 75 CO 0.66 0.04 0.44 -0.54 0.00 0.00 0.00 175.10 175.70 1whq s LYS 76 N -0.21 4.27 0.51 2.72 1.02 -1.26 -4.03 119.74 122.76 1whq s LYS 76 Ca 0.00 0.34 0.28 0.00 0.02 0.00 0.00 55.97 56.61 1whq s LYS 76 Cb -0.02 -3.48 1.38 0.00 -0.52 0.00 0.00 37.83 35.19 1whq s LYS 76 CO -0.00 0.08 1.89 0.66 -0.92 0.00 0.00 175.35 177.05 1whq h SER 77 N 6.97 0.10 -0.71 2.83 4.64 -1.95 0.18 113.55 125.61 1whq h SER 77 Ca -0.39 0.01 0.21 0.00 -0.47 0.00 0.00 61.79 61.15 1whq h SER 77 Cb 1.17 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1whq h SER 77 CO 0.75 0.04 0.57 -0.33 -0.87 0.00 0.00 176.83 176.98 1whq h GLU 78 N 0.10 0.00 0.00 4.77 5.08 -2.00 0.30 114.58 122.83 1whq h GLU 78 Ca 0.43 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.59 1whq h GLU 78 Cb 1.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1whq h GLU 78 CO -0.05 0.00 -1.54 0.39 -1.00 0.00 0.00 179.01 176.81 1whq n GLU 79 N -4.08 0.63 -2.25 2.33 -0.58 0.63 -4.91 120.64 112.42 1whq n GLU 79 Ca 0.14 0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.68 1whq n GLU 79 Cb 0.83 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.90 1whq n GLU 79 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1whq s VAL 80 N -2.87 3.07 0.99 2.62 1.01 0.11 -5.02 120.40 120.31 1whq s VAL 80 Ca -0.04 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.84 1whq s VAL 80 Cb 0.09 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 33.00 1whq s VAL 80 CO 0.82 0.22 1.09 -2.16 0.00 0.00 0.00 175.10 175.07 1whq s PRO 81 N -1.29 0.46 -0.08 2.72 0.04 -1.26 -4.96 135.00 130.63 1whq s PRO 81 Ca 0.49 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 1whq s PRO 81 Cb -0.37 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1whq s PRO 81 CO 0.46 -2.72 0.33 0.00 0.04 0.00 0.00 177.00 175.11 1whq s ALA 82 N -2.96 3.69 -0.41 8.56 0.00 -1.26 -5.06 121.76 124.31 1whq s ALA 82 Ca 0.65 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 1whq s ALA 82 Cb -0.19 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1whq s ALA 82 CO 0.58 0.36 0.38 0.54 0.00 0.00 0.00 175.76 177.61 1whq s VAL 83 N -0.48 5.16 0.00 0.00 0.11 -1.26 -4.91 120.40 119.02 1whq s VAL 83 Ca 0.20 -0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1whq s VAL 83 Cb -0.15 -3.99 -0.01 0.00 -1.53 0.00 0.00 36.38 30.71 1whq s VAL 83 CO 0.08 -0.36 -0.05 0.61 -3.33 0.00 0.00 175.10 172.05 1whq n GLY 84 N 5.13 -0.14 3.76 6.54 0.00 -1.26 -5.03 105.19 114.18 1whq n GLY 84 Ca -0.09 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1whq n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whq s ILE 85 N -1.61 3.47 -0.29 -0.61 1.09 -1.26 -5.03 121.20 116.96 1whq s ILE 85 Ca -0.04 1.46 -0.24 0.00 -1.10 0.00 0.00 60.65 60.72 1whq s ILE 85 Cb 0.01 -3.93 0.15 0.00 -1.06 0.00 0.00 42.46 37.63 1whq s ILE 85 CO 0.07 0.34 1.15 0.54 -0.10 0.00 0.00 174.94 176.94 1whq s VAL 86 N -1.06 0.00 0.65 2.92 0.11 -1.26 -5.17 120.40 116.59 1whq s VAL 86 Ca 0.45 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.35 1whq s VAL 86 Cb -0.32 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1whq s VAL 86 CO 0.41 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 171.13 1whq s PRO 87 N 0.31 2.87 0.41 1.54 0.04 -1.26 -5.00 135.00 133.89 1whq s PRO 87 Ca 0.03 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 1whq s PRO 87 Cb -0.05 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1whq s PRO 87 CO -0.10 -1.20 1.19 -1.25 0.04 0.00 0.00 177.00 175.67 1whq s PRO 88 N -4.01 4.01 0.85 0.56 0.04 -1.26 -5.02 135.00 130.18 1whq s PRO 88 Ca 0.68 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 1whq s PRO 88 Cb -0.21 -2.66 0.10 0.00 0.04 0.00 0.00 34.50 31.78 1whq s PRO 88 CO 0.40 -0.36 1.09 -1.25 0.04 0.00 0.00 177.00 176.92 1whq s PRO 89 N -2.33 1.61 -0.18 0.56 0.04 -1.26 -5.07 135.00 128.37 1whq s PRO 89 Ca 0.58 0.94 -0.35 0.00 0.04 0.00 0.00 61.00 62.21 1whq s PRO 89 Cb -0.31 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.52 1whq s PRO 89 CO 0.39 -2.03 1.19 -1.54 0.04 0.00 0.00 177.00 175.05 1whq s SER 90 N -3.41 -0.15 0.00 6.66 1.04 -1.26 -5.18 113.70 111.39 1whq s SER 90 Ca 0.63 0.00 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1whq s SER 90 Cb -0.18 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1whq s SER 90 CO 0.57 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1whq n GLY 91 N -0.10 4.07 3.56 7.32 0.00 -1.26 -5.03 105.19 113.76 1whq n GLY 91 Ca -0.00 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1whq n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whq s PRO 92 N -3.89 2.79 0.65 1.61 0.04 -1.26 -4.98 135.00 129.95 1whq s PRO 92 Ca 0.00 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1whq s PRO 92 Cb 0.00 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 1whq s PRO 92 CO 0.00 -2.54 1.05 -1.12 0.04 0.00 0.00 177.00 174.43 1whq s SER 93 N 7.57 5.90 0.28 6.66 0.01 -1.26 -4.92 113.70 127.94 1whq s SER 93 Ca 0.69 1.27 0.04 0.00 1.31 0.00 0.00 55.95 59.26 1whq s SER 93 Cb -0.14 -2.22 0.75 0.00 0.21 0.00 0.00 66.02 64.62 1whq s SER 93 CO 0.23 -1.06 1.40 -0.24 0.41 0.00 0.00 173.24 173.99 1whq n SER 94 N -2.84 -0.05 0.00 2.44 2.88 -1.26 -5.32 113.62 109.48 1whq n SER 94 Ca 0.06 1.51 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1whq n SER 94 Cb 0.55 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42