#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whq s SER -2 N 0.00 6.19 -0.14 1.61 1.04 -1.26 -5.04 113.70 116.10 1whq s SER -2 Ca 0.00 -1.38 -0.27 0.00 0.48 0.00 0.00 55.95 54.78 1whq s SER -2 Cb 0.00 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 1whq s SER -2 CO 0.00 -0.93 0.90 -0.94 0.98 0.00 0.00 173.24 173.25 1whq s SER -1 N 3.24 7.07 0.00 7.02 1.04 -1.26 -4.64 113.70 126.17 1whq s SER -1 Ca 0.09 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1whq s SER -1 Cb -0.24 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1whq s SER -1 CO 0.07 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1whq n GLY 0 N 3.30 0.43 3.47 7.32 0.00 -1.26 -5.11 105.19 113.34 1whq n GLY 0 Ca 0.06 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1whq n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whq s SER 1 N -4.00 -0.61 -0.37 1.61 0.01 -1.26 -5.13 113.70 103.95 1whq s SER 1 Ca 0.00 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1whq s SER 1 Cb 0.00 0.57 0.12 0.00 0.21 0.00 0.00 66.02 66.92 1whq s SER 1 CO 0.00 -0.80 0.17 -0.94 0.41 0.00 0.00 173.24 172.09 1whq s SER 2 N -2.02 3.70 0.00 2.44 1.04 -1.26 -4.78 113.70 112.82 1whq s SER 2 Ca -0.04 -2.13 0.00 0.00 0.48 0.00 0.00 55.95 54.26 1whq s SER 2 Cb -0.01 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.26 1whq s SER 2 CO -0.02 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1whq n GLY 3 N 4.19 1.28 0.25 7.32 0.00 -1.26 -4.99 105.19 111.97 1whq n GLY 3 Ca 0.04 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1whq n GLY 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1whq h ILE 4 N 0.01 0.94 -0.77 -0.61 6.09 -1.98 -2.08 117.51 119.11 1whq h ILE 4 Ca 0.00 -0.27 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1whq h ILE 4 Cb 0.00 1.15 -0.04 0.00 0.47 0.00 0.00 36.82 38.40 1whq h ILE 4 CO 0.00 0.07 0.35 0.50 -3.07 0.00 0.00 178.15 176.01 1whq h LYS 5 N 0.00 1.12 0.00 2.19 3.11 -1.93 -1.66 116.57 119.39 1whq h LYS 5 Ca -0.00 -0.17 -0.09 0.00 -2.81 0.00 0.00 60.65 57.58 1whq h LYS 5 Cb 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1whq h LYS 5 CO 0.01 0.87 -0.41 -0.97 -2.81 0.00 0.00 179.45 176.14 1whq h ASN 6 N 1.11 0.00 0.27 4.20 -1.24 -1.68 -1.42 115.58 116.81 1whq h ASN 6 Ca 0.26 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1whq h ASN 6 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1whq h ASN 6 CO -0.03 0.41 -0.13 0.15 -1.29 0.00 0.00 177.43 176.54 1whq h PHE 7 N 0.00 -0.33 0.08 0.67 3.04 -1.26 -2.84 116.94 116.30 1whq h PHE 7 Ca -0.00 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.95 1whq h PHE 7 Cb 0.82 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 1whq h PHE 7 CO 0.00 -0.21 -0.14 1.25 -2.02 0.00 0.00 178.31 177.19 1whq h LEU 8 N -0.83 -0.39 -0.25 0.59 5.85 -1.41 -0.29 115.31 118.58 1whq h LEU 8 Ca -0.04 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1whq h LEU 8 Cb 0.28 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1whq h LEU 8 CO 0.06 -0.21 -0.43 0.22 -0.34 0.00 0.00 178.44 177.74 1whq h TYR 9 N -0.28 -1.31 -0.48 1.25 3.20 -1.41 0.44 116.97 118.39 1whq h TYR 9 Ca 0.02 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1whq h TYR 9 Cb 0.30 0.60 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 1whq h TYR 9 CO -0.16 -0.40 0.12 0.00 -1.64 0.00 0.00 178.16 176.09 1whq h ALA 10 N -0.40 0.56 -0.68 1.82 0.00 -1.41 0.76 119.26 119.91 1whq h ALA 10 Ca 0.05 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1whq h ALA 10 Cb 0.48 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1whq h ALA 10 CO -0.42 -0.28 0.45 2.35 0.00 0.00 0.00 179.25 181.34 1whq h TRP 11 N 0.27 0.69 -0.03 0.00 7.01 -0.04 -1.30 115.95 122.55 1whq h TRP 11 Ca 0.24 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 1whq h TRP 11 Cb 0.29 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1whq h TRP 11 CO -0.20 0.37 -0.17 0.00 -2.79 0.00 0.00 178.44 175.65 1whq h GLY 13 N -0.41 1.03 1.20 0.00 0.00 -0.46 0.15 103.07 104.57 1whq h GLY 13 Ca -0.01 -0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.18 1whq h GLY 13 CO 0.03 0.14 0.29 0.50 0.00 0.00 0.00 176.54 177.50 1whq h LYS 14 N 0.68 0.00 -0.62 4.80 1.79 -1.32 0.30 116.57 122.19 1whq h LYS 14 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1whq h LYS 14 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1whq h LYS 14 CO -0.21 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.70 1whq n ARG 15 N -4.39 4.48 -3.56 3.15 1.74 -0.31 -4.91 116.66 112.85 1whq n ARG 15 Ca 0.07 -2.85 -0.22 0.00 -0.77 0.00 0.00 57.85 54.07 1whq n ARG 15 Cb 0.48 -2.18 0.08 0.00 -1.02 0.00 0.00 32.46 29.82 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 0.61 -7.25 -4.14 5.56 3.00 0.10 -5.01 118.16 111.03 1whq n LYS 16 Ca 0.25 0.81 -0.16 0.00 -0.00 0.00 0.00 58.31 59.22 1whq n LYS 16 Cb 1.09 -5.83 -0.12 0.00 0.00 0.00 0.00 35.03 30.18 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 -5.99 0.73 -0.14 1.64 -1.94 0.36 -4.98 119.30 108.98 1whq s MET 17 Ca 0.37 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 1whq s MET 17 Cb -0.16 -0.61 0.03 0.00 2.01 0.00 0.00 34.83 36.09 1whq s MET 17 CO 0.74 0.13 -0.12 0.99 -0.01 0.00 0.00 175.02 176.75 1whq s THR 18 N -1.49 1.40 0.22 2.05 2.01 -1.26 -2.27 115.64 116.30 1whq s THR 18 Ca -0.03 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1whq s THR 18 Cb -0.09 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.97 1whq s THR 18 CO 0.01 0.40 1.29 -2.16 -0.69 0.00 0.00 174.62 173.47 1whq s PRO 19 N 1.55 4.41 -0.28 4.92 0.04 -1.26 -4.82 135.00 139.55 1whq s PRO 19 Ca 0.04 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 1whq s PRO 19 Cb -0.13 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1whq s PRO 19 CO -0.10 -0.21 0.05 0.00 0.04 0.00 0.00 177.00 176.79 1whq s ALA 20 N -0.12 3.00 -0.17 8.56 0.00 -1.12 -4.98 121.76 126.93 1whq s ALA 20 Ca 0.55 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1whq s ALA 20 Cb -0.36 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1whq s ALA 20 CO 0.40 -0.88 0.02 0.71 0.00 0.00 0.00 175.76 176.01 1whq s TYR 21 N 1.47 3.14 -0.02 0.00 1.51 -1.26 -2.71 117.35 119.48 1whq s TYR 21 Ca 0.02 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1whq s TYR 21 Cb -0.17 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1whq s TYR 21 CO 0.01 0.05 0.02 -2.00 -1.11 0.00 0.00 175.55 172.52 1whq s GLU 22 N 0.41 0.04 0.07 -0.62 2.12 -1.14 -5.01 118.70 114.57 1whq s GLU 22 Ca -0.00 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1whq s GLU 22 Cb -0.13 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 1whq s GLU 22 CO 0.02 -0.13 0.01 0.42 -0.54 0.00 0.00 175.26 175.04 1whq s ILE 23 N 0.89 4.15 0.19 -3.70 1.01 -1.26 -1.91 121.20 120.57 1whq s ILE 23 Ca -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.79 1whq s ILE 23 Cb -0.11 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1whq s ILE 23 CO -0.02 0.18 -0.15 -0.60 0.00 0.00 0.00 174.94 174.34 1whq s ARG 24 N -2.15 1.31 -0.25 2.79 6.06 -0.79 -4.93 118.95 120.98 1whq s ARG 24 Ca 0.25 -1.54 -0.10 0.00 -2.50 0.00 0.00 55.73 51.84 1whq s ARG 24 Cb -0.12 -1.17 -0.05 0.00 0.06 0.00 0.00 34.95 33.68 1whq s ARG 24 CO 0.17 0.21 0.15 0.00 -2.50 0.00 0.00 175.30 173.33 1whq s ALA 25 N -2.72 3.49 0.29 6.12 0.00 -1.26 -2.23 121.76 125.45 1whq s ALA 25 Ca 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1whq s ALA 25 Cb -0.02 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 1whq s ALA 25 CO 0.07 -0.37 0.34 0.14 0.00 0.00 0.00 175.76 175.94 1whq s VAL 26 N 1.40 0.00 0.00 0.00 -7.23 -0.81 -5.01 120.40 108.75 1whq s VAL 26 Ca 0.07 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1whq s VAL 26 Cb -0.15 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1whq s VAL 26 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1whq n GLY 27 N -0.47 0.22 3.82 2.32 0.00 -1.26 -0.43 105.19 109.38 1whq n GLY 27 Ca 0.02 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.33 6.96 0.29 1.61 -0.87 -0.42 -4.89 114.94 117.29 1whq s ASN 28 Ca 0.00 1.47 0.05 0.00 -1.57 0.00 0.00 52.86 52.81 1whq s ASN 28 Cb 0.00 -2.45 0.78 0.00 -0.02 0.00 0.00 41.25 39.56 1whq s ASN 28 CO 0.00 -0.15 1.41 1.17 -2.57 0.00 0.00 177.10 176.96 1whq n LYS 29 N 0.01 -0.07 -0.04 -0.60 4.81 -1.26 0.65 118.16 121.66 1whq n LYS 29 Ca 0.02 1.33 -0.14 0.00 -0.87 0.00 0.00 58.31 58.65 1whq n LYS 29 Cb 0.52 -2.15 -0.09 0.00 0.02 0.00 0.00 35.03 33.33 1whq n LYS 29 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1whq h ASN 30 N 0.00 0.28 -3.53 3.14 -1.24 -2.01 -3.39 115.58 108.84 1whq h ASN 30 Ca 0.58 -0.56 -0.78 0.00 0.71 0.00 0.00 56.30 56.25 1whq h ASN 30 Cb 1.28 -0.08 -0.25 0.00 0.73 0.00 0.00 38.32 40.00 1whq h ASN 30 CO -0.82 0.79 -0.02 -0.13 -1.29 0.00 0.00 177.43 175.96 1whq s ARG 31 N -3.98 3.37 0.21 6.67 3.00 0.21 -5.05 118.95 123.38 1whq s ARG 31 Ca -0.15 -2.16 -0.29 0.00 0.00 0.00 0.00 55.73 53.13 1whq s ARG 31 Cb 0.03 -4.38 -0.09 0.00 0.00 0.00 0.00 34.95 30.52 1whq s ARG 31 CO 0.74 -1.31 0.90 -1.14 0.00 0.00 0.00 175.30 174.49 1whq s GLN 32 N 0.75 4.78 0.09 3.54 2.00 -1.19 -1.30 119.66 128.33 1whq s GLN 32 Ca 0.12 1.40 0.02 0.00 -2.00 0.00 0.00 55.36 54.91 1whq s GLN 32 Cb -0.18 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1whq s GLN 32 CO -0.04 0.51 -0.07 0.15 -0.50 0.00 0.00 175.29 175.34 1whq s LYS 33 N -1.10 0.78 -0.08 1.67 1.02 0.42 -4.64 119.74 117.81 1whq s LYS 33 Ca 0.40 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1whq s LYS 33 Cb -0.25 -0.29 0.02 0.00 -0.52 0.00 0.00 37.83 36.79 1whq s LYS 33 CO 0.30 0.01 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.63 1whq s PHE 34 N -2.98 1.14 -0.41 3.18 0.08 -0.86 -1.92 117.98 116.21 1whq s PHE 34 Ca 0.07 -0.47 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1whq s PHE 34 Cb 0.01 -0.99 0.08 0.00 -0.57 0.00 0.00 43.02 41.54 1whq s PHE 34 CO -0.03 -0.37 0.24 -1.64 -0.10 0.00 0.00 175.22 173.32 1whq s MET 35 N 1.48 2.56 -0.14 0.44 -1.94 -0.95 -1.91 119.30 118.85 1whq s MET 35 Ca -0.01 -1.47 -0.09 0.00 -1.71 0.00 0.00 55.69 52.41 1whq s MET 35 Cb -0.13 -3.74 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 1whq s MET 35 CO -0.04 -0.94 0.18 0.00 -0.01 0.00 0.00 175.02 174.20 1whq s GLU 37 N -0.47 0.74 0.01 0.00 4.04 -0.80 0.26 118.70 122.48 1whq s GLU 37 Ca 0.14 -0.23 0.03 0.00 0.04 0.00 0.00 54.97 54.95 1whq s GLU 37 Cb -0.12 -0.72 -0.03 0.00 0.02 0.00 0.00 34.13 33.28 1whq s GLU 37 CO 0.03 0.08 -0.04 0.54 -1.84 0.00 0.00 175.26 174.03 1whq s VAL 38 N 0.21 3.85 0.05 1.83 0.11 -0.56 -2.90 120.40 122.99 1whq s VAL 38 Ca -0.03 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1whq s VAL 38 Cb -0.07 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 1whq s VAL 38 CO 0.00 0.38 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.90 1whq s ARG 39 N -1.51 0.71 -0.09 1.54 0.52 -1.10 -2.09 118.95 116.93 1whq s ARG 39 Ca 0.18 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1whq s ARG 39 Cb -0.11 -0.63 0.04 0.00 0.52 0.00 0.00 34.95 34.78 1whq s ARG 39 CO 0.09 0.14 0.10 0.08 0.02 0.00 0.00 175.30 175.72 1whq s VAL 40 N -1.17 -0.15 0.28 3.52 1.01 -1.26 -2.80 120.40 119.84 1whq s VAL 40 Ca -0.04 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1whq s VAL 40 Cb -0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 36.38 35.83 1whq s VAL 40 CO 0.01 0.04 0.81 1.21 0.00 0.00 0.00 175.10 177.17 1whq n GLU 41 N 5.30 0.86 0.00 2.72 2.13 -1.26 -1.86 120.64 128.53 1whq n GLU 41 Ca -0.04 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1whq n GLU 41 Cb 0.50 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.65 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 1.51 3.06 3.64 8.31 0.00 -1.26 -5.04 105.19 115.42 1whq n GLY 42 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.95 2.76 -0.20 1.61 0.08 -0.78 -5.05 117.98 113.46 1whq s PHE 43 Ca 0.00 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 1whq s PHE 43 Cb 0.00 -1.31 -0.21 0.00 -0.57 0.00 0.00 43.02 40.94 1whq s PHE 43 CO 0.00 0.54 0.02 -1.71 -0.10 0.00 0.00 175.22 173.98 1whq n ASN 44 N -0.32 2.04 -4.76 1.36 2.85 -1.26 -4.76 115.26 110.41 1whq n ASN 44 Ca -0.09 0.03 -0.38 0.00 -0.11 0.00 0.00 54.58 54.03 1whq n ASN 44 Cb 0.56 -0.62 0.01 0.00 1.24 0.00 0.00 39.78 40.96 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1whq s TYR 45 N -2.53 2.70 -0.15 1.20 5.04 -1.26 -5.03 117.35 117.32 1whq s TYR 45 Ca -0.30 1.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 1whq s TYR 45 Cb 0.08 -3.59 0.05 0.00 0.35 0.00 0.00 41.96 38.84 1whq s TYR 45 CO 0.67 -2.08 0.00 0.00 -1.34 0.00 0.00 175.55 172.80 1whq s ALA 46 N -1.38 1.07 0.23 3.97 0.00 -1.26 -4.68 121.76 119.71 1whq s ALA 46 Ca 0.63 -0.59 -0.28 0.00 0.00 0.00 0.00 51.96 51.72 1whq s ALA 46 Cb -0.35 -1.05 -0.16 0.00 0.00 0.00 0.00 23.12 21.56 1whq s ALA 46 CO 0.43 -0.87 0.75 0.41 0.00 0.00 0.00 175.76 176.48 1whq n GLY 47 N 5.02 -1.07 3.13 0.00 0.00 -0.89 -4.69 105.19 106.69 1whq n GLY 47 Ca -0.09 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.18 2.43 -0.02 1.61 0.23 -1.26 -1.50 119.30 119.61 1whq s MET 48 Ca 0.63 -0.66 0.02 0.00 -1.03 0.00 0.00 55.69 54.64 1whq s MET 48 Cb -0.84 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 30.56 1whq s MET 48 CO 0.57 0.10 -0.06 0.20 -2.03 0.00 0.00 175.02 173.81 1whq s GLY 49 N 0.51 0.35 -0.05 3.16 0.00 0.14 -4.43 107.32 107.00 1whq s GLY 49 Ca -0.16 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.39 1whq s GLY 49 CO 0.06 -0.02 -0.13 0.54 0.00 0.00 0.00 173.10 173.56 1whq s ASN 50 N 0.19 1.76 -0.24 1.64 2.20 -1.26 -0.12 114.94 119.10 1whq s ASN 50 Ca -0.02 -0.29 -0.27 0.00 -0.94 0.00 0.00 52.86 51.34 1whq s ASN 50 Cb -0.06 -0.62 0.15 0.00 -2.00 0.00 0.00 41.25 38.71 1whq s ASN 50 CO -0.00 0.08 1.15 -0.55 -2.94 0.00 0.00 177.10 174.84 1whq s SER 51 N 0.34 -0.28 0.52 3.54 0.15 -0.80 -4.80 113.70 112.37 1whq s SER 51 Ca -0.08 0.43 0.20 0.00 0.70 0.00 0.00 55.95 57.20 1whq s SER 51 Cb -0.13 0.39 1.35 0.00 -1.71 0.00 0.00 66.02 65.93 1whq s SER 51 CO 0.02 -0.17 2.13 0.74 1.20 0.00 0.00 173.24 177.16 1whq h THR 52 N 2.89 0.88 -3.20 6.45 2.02 -1.84 -2.27 112.91 117.84 1whq h THR 52 Ca -0.21 -0.22 -0.58 0.00 0.77 0.00 0.00 66.41 66.18 1whq h THR 52 Cb 1.18 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1whq h THR 52 CO 0.21 0.06 -0.25 0.20 0.37 0.00 0.00 175.52 176.11 1whq s ASN 53 N -6.74 6.58 0.16 4.18 0.01 -1.26 -4.55 114.94 113.31 1whq s ASN 53 Ca -0.05 0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 52.82 1whq s ASN 53 Cb 0.16 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 1whq s ASN 53 CO 0.64 0.07 1.38 0.11 -1.51 0.00 0.00 177.10 177.79 1whq h LYS 54 N 3.11 0.37 0.00 -0.60 1.79 -1.96 -1.81 116.57 117.47 1whq h LYS 54 Ca -0.47 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.65 1whq h LYS 54 Cb 1.18 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1whq h LYS 54 CO 0.70 1.01 0.00 1.57 -1.08 0.00 0.00 179.45 181.65 1whq h LYS 55 N 0.23 0.00 0.05 3.15 2.10 -1.95 -3.20 116.57 116.95 1whq h LYS 55 Ca -0.05 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.29 1whq h LYS 55 Cb 1.43 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.73 1whq h LYS 55 CO 0.14 0.00 -1.73 0.22 -2.00 0.00 0.00 179.45 176.08 1whq h ASP 56 N 0.00 0.17 0.34 7.07 1.82 -1.91 -3.30 116.42 120.61 1whq h ASP 56 Ca 0.00 -0.35 -0.04 0.00 -0.39 0.00 0.00 57.03 56.25 1whq h ASP 56 Cb 0.83 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 1whq h ASP 56 CO 0.00 1.31 -0.19 0.00 -1.61 0.00 0.00 179.24 178.74 1whq h ALA 57 N 0.67 1.40 0.10 -0.78 0.00 -1.33 -2.81 119.26 116.50 1whq h ALA 57 Ca -0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1whq h ALA 57 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1whq h ALA 57 CO 0.10 0.24 -0.05 1.96 0.00 0.00 0.00 179.25 181.50 1whq h GLN 58 N 0.00 -0.13 -0.46 0.00 4.20 -1.67 -2.53 115.11 114.52 1whq h GLN 58 Ca -0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.85 1whq h GLN 58 Cb 0.42 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1whq h GLN 58 CO 0.03 0.38 0.43 1.03 -0.67 0.00 0.00 178.83 180.02 1whq h SER 59 N -0.87 0.00 0.69 1.46 0.87 -1.62 0.21 113.55 114.30 1whq h SER 59 Ca -0.01 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.28 1whq h SER 59 Cb 0.57 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1whq h SER 59 CO 0.02 0.00 -1.26 0.78 -0.53 0.00 0.00 176.83 175.84 1whq h ASN 60 N 0.00 0.28 0.23 6.23 2.35 -1.51 -2.93 115.58 120.23 1whq h ASN 60 Ca 0.22 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1whq h ASN 60 Cb 1.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1whq h ASN 60 CO -0.00 1.26 -0.11 0.00 -1.65 0.00 0.00 177.43 176.93 1whq h ALA 61 N 0.69 -0.30 -0.20 -0.83 0.00 -0.18 -2.40 119.26 116.04 1whq h ALA 61 Ca -0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1whq h ALA 61 Cb 1.93 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1whq h ALA 61 CO 0.17 -0.44 0.06 0.00 0.00 0.00 0.00 179.25 179.04 1whq h ALA 62 N -0.19 0.21 0.00 0.00 0.00 -1.38 -0.86 119.26 117.04 1whq h ALA 62 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1whq h ALA 62 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1whq h ALA 62 CO 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 179.25 178.93 1whq h ARG 63 N 0.15 0.00 0.10 0.00 2.47 -1.59 -2.73 114.38 112.78 1whq h ARG 63 Ca 0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1whq h ARG 63 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1whq h ARG 63 CO -0.10 0.00 -0.05 0.22 0.56 0.00 0.00 179.97 180.61 1whq h ASP 64 N 0.00 -0.12 -1.13 7.04 1.82 -0.64 -3.29 116.42 120.11 1whq h ASP 64 Ca -0.00 0.00 0.33 0.00 -0.39 0.00 0.00 57.03 56.97 1whq h ASP 64 Cb 0.05 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 1whq h ASP 64 CO 0.00 0.24 0.87 0.15 -1.61 0.00 0.00 179.24 178.89 1whq h PHE 65 N -0.79 0.00 -0.02 0.28 3.57 -1.26 0.12 116.94 118.84 1whq h PHE 65 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1whq h PHE 65 Cb 0.11 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1whq h PHE 65 CO 0.01 0.00 0.01 0.28 -2.23 0.00 0.00 178.31 176.38 1whq h VAL 66 N 0.00 1.04 -1.14 1.41 2.07 -1.57 -2.20 116.25 115.86 1whq h VAL 66 Ca 0.54 -0.11 0.32 0.00 0.82 0.00 0.00 66.70 68.27 1whq h VAL 66 Cb 2.27 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.05 1whq h VAL 66 CO -0.01 0.03 0.79 -0.55 0.02 0.00 0.00 177.57 177.86 1whq h ASN 67 N -0.01 0.16 1.06 0.57 7.08 -0.81 0.86 115.58 124.48 1whq h ASN 67 Ca 0.01 0.03 -0.18 0.00 -3.08 0.00 0.00 56.30 53.08 1whq h ASN 67 Cb 0.04 0.01 -0.03 0.00 -2.08 0.00 0.00 38.32 36.26 1whq h ASN 67 CO -0.00 0.02 -0.86 0.22 -2.08 0.00 0.00 177.43 174.73 1whq h TYR 68 N 0.13 0.00 0.00 4.14 5.03 -1.45 -2.63 116.97 122.19 1whq h TYR 68 Ca 0.58 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.82 1whq h TYR 68 Cb 2.02 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.29 1whq h TYR 68 CO -0.00 0.86 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.27 1whq h LEU 69 N 0.00 0.00 0.14 2.82 3.38 0.12 -2.39 115.31 119.38 1whq h LEU 69 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1whq h LEU 69 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1whq h LEU 69 CO 0.11 0.36 -1.57 0.58 0.09 0.00 0.00 178.44 178.01 1whq h VAL 70 N 0.00 0.98 -0.27 1.22 2.07 -1.39 0.28 116.25 119.14 1whq h VAL 70 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1whq h VAL 70 Cb 0.72 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1whq h VAL 70 CO 0.05 0.77 0.17 0.08 0.02 0.00 0.00 177.57 178.66 1whq h ARG 71 N -0.13 0.36 -0.00 1.57 0.11 -1.43 0.45 114.38 115.31 1whq h ARG 71 Ca -0.32 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1whq h ARG 71 Cb 1.90 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.90 1whq h ARG 71 CO 0.11 0.25 -0.10 0.44 0.10 0.00 0.00 179.97 180.76 1whq n ILE 72 N -4.49 0.00 -2.66 0.08 -5.35 -0.91 -4.92 119.36 101.13 1whq n ILE 72 Ca 0.01 -0.05 -0.08 0.00 -0.27 0.00 0.00 62.75 62.36 1whq n ILE 72 Cb 0.08 -0.15 0.02 0.00 -1.74 0.00 0.00 39.64 37.85 1whq n ILE 72 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1whq n ASN 73 N -1.02 -3.35 -0.05 7.28 5.15 0.15 -4.94 115.26 118.47 1whq n ASN 73 Ca 0.14 -0.14 -0.02 0.00 -0.60 0.00 0.00 54.58 53.97 1whq n ASN 73 Cb 0.27 -2.15 -0.13 0.00 -0.53 0.00 0.00 39.78 37.24 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1whq n GLU 74 N -2.02 1.02 -4.17 1.20 -0.58 0.78 -4.98 120.64 111.89 1whq n GLU 74 Ca -0.03 -0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.49 1whq n GLU 74 Cb 0.54 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.71 0.46 -0.10 2.62 1.01 0.06 -4.97 120.40 116.76 1whq s VAL 75 Ca -0.08 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1whq s VAL 75 Cb 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1whq s VAL 75 CO 0.70 0.08 0.47 -0.54 0.00 0.00 0.00 175.10 175.80 1whq s LYS 76 N -0.27 4.30 0.61 2.72 1.02 -1.26 -4.15 119.74 122.71 1whq s LYS 76 Ca 0.01 0.44 0.31 0.00 0.02 0.00 0.00 55.97 56.75 1whq s LYS 76 Cb -0.03 -3.41 1.75 0.00 -0.52 0.00 0.00 37.83 35.62 1whq s LYS 76 CO -0.00 0.22 2.09 0.66 -0.92 0.00 0.00 175.35 177.40 1whq h SER 77 N 6.47 0.00 -0.09 2.83 4.64 -1.96 0.14 113.55 125.58 1whq h SER 77 Ca -0.42 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1whq h SER 77 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1whq h SER 77 CO 0.74 0.00 0.12 -0.33 -0.87 0.00 0.00 176.83 176.49 1whq h GLU 78 N 0.00 0.00 0.05 4.77 4.39 -2.01 -1.88 114.58 119.90 1whq h GLU 78 Ca 0.07 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.42 1whq h GLU 78 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1whq h GLU 78 CO -0.00 0.00 -2.07 0.39 -1.16 0.00 0.00 179.01 176.17 1whq n GLU 79 N -3.72 0.70 -1.91 2.33 -0.58 0.03 -4.93 120.64 112.56 1whq n GLU 79 Ca -0.01 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.54 1whq n GLU 79 Cb 0.22 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 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 -2.55 2.31 0.69 2.62 1.01 -0.71 -4.98 120.40 118.79 1whq s VAL 80 Ca -0.19 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 1whq s VAL 80 Cb 0.07 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1whq s VAL 80 CO 0.76 0.07 1.11 -2.16 0.00 0.00 0.00 175.10 174.87 1whq s PRO 81 N -1.56 2.64 1.06 2.72 0.04 -1.26 -4.95 135.00 133.69 1whq s PRO 81 Ca 0.54 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1whq s PRO 81 Cb -0.44 -1.93 0.23 0.00 0.04 0.00 0.00 34.50 32.39 1whq s PRO 81 CO 0.56 -1.37 1.07 0.00 0.04 0.00 0.00 177.00 177.30 1whq s ALA 82 N -2.50 0.39 -0.43 8.56 0.00 -1.26 -4.98 121.76 121.53 1whq s ALA 82 Ca 0.65 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 1whq s ALA 82 Cb -0.20 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1whq s ALA 82 CO 0.46 -3.24 0.41 0.54 0.00 0.00 0.00 175.76 173.93 1whq s VAL 83 N -2.75 5.14 -0.03 0.00 0.11 -1.26 -4.87 120.40 116.73 1whq s VAL 83 Ca 0.67 -0.56 0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1whq s VAL 83 Cb -0.21 -4.05 -0.15 0.00 -1.53 0.00 0.00 36.38 30.44 1whq s VAL 83 CO 0.60 -0.46 0.18 0.61 -3.33 0.00 0.00 175.10 172.70 1whq n GLY 84 N 5.14 -0.47 3.73 6.54 0.00 -1.26 -4.99 105.19 113.89 1whq n GLY 84 Ca -0.09 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1whq n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1whq s ILE 85 N -2.59 4.72 0.15 -0.61 -4.36 -1.26 -5.11 121.20 112.14 1whq s ILE 85 Ca -0.04 -0.08 0.07 0.00 -0.26 0.00 0.00 60.65 60.34 1whq s ILE 85 Cb 0.06 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1whq s ILE 85 CO 0.42 0.59 -0.05 0.68 0.24 0.00 0.00 174.94 176.81 1whq s VAL 86 N -0.72 3.54 0.99 8.37 -7.23 -1.26 -5.13 120.40 118.96 1whq s VAL 86 Ca 0.12 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 1whq s VAL 86 Cb -0.12 -2.73 0.18 0.00 0.56 0.00 0.00 36.38 34.27 1whq s VAL 86 CO 0.02 -0.03 1.09 -2.16 -0.31 0.00 0.00 175.10 173.72 1whq s PRO 87 N -2.66 0.53 0.60 4.82 0.04 -1.26 -5.02 135.00 132.06 1whq s PRO 87 Ca 0.25 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 1whq s PRO 87 Cb -0.10 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1whq s PRO 87 CO 0.16 -2.67 1.12 -1.25 0.04 0.00 0.00 177.00 174.40 1whq s PRO 88 N -4.96 3.09 0.00 0.56 0.04 -1.26 -4.91 135.00 127.56 1whq s PRO 88 Ca 0.65 1.50 0.15 0.00 0.04 0.00 0.00 61.00 63.34 1whq s PRO 88 Cb -0.19 -1.98 0.89 0.00 0.04 0.00 0.00 34.50 33.27 1whq s PRO 88 CO 0.58 -1.04 1.35 -0.35 0.04 0.00 0.00 177.00 177.58 1whq n PRO 89 N -1.85 0.43 -0.10 0.56 -0.04 -1.26 -3.71 135.00 129.03 1whq n PRO 89 Ca 0.11 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1whq n PRO 89 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1whq n PRO 89 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1whq h SER 90 N 0.00 -0.89 -3.11 3.54 0.87 -2.04 -3.47 113.55 108.45 1whq h SER 90 Ca 0.00 0.17 0.36 0.00 -1.23 0.00 0.00 61.79 61.08 1whq h SER 90 Cb 0.03 0.43 -0.09 0.00 -0.44 0.00 0.00 62.40 62.33 1whq h SER 90 CO 0.00 -0.29 -0.47 0.61 -0.53 0.00 0.00 176.83 176.15 1whq n GLY 91 N -1.40 -1.83 3.71 5.77 0.00 -1.24 -4.72 105.19 105.48 1whq n GLY 91 Ca 0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.02 4.33 -0.16 1.61 0.04 -1.26 -4.95 135.00 132.59 1whq s PRO 92 Ca 0.00 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 1whq s PRO 92 Cb 0.00 -3.29 -0.24 0.00 0.04 0.00 0.00 34.50 31.01 1whq s PRO 92 CO 0.00 -0.43 0.57 0.66 0.04 0.00 0.00 177.00 177.84 1whq h SER 93 N 6.91 0.04 -2.90 6.66 4.64 -2.02 -3.46 113.55 123.42 1whq h SER 93 Ca -0.42 -0.82 -0.54 0.00 -0.47 0.00 0.00 61.79 59.54 1whq h SER 93 Cb 1.21 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1whq h SER 93 CO 0.86 1.22 -0.33 -0.55 -0.87 0.00 0.00 176.83 177.16 1whq s SER 94 N -6.51 6.40 0.00 4.97 0.15 -1.26 -5.31 113.70 112.14 1whq s SER 94 Ca -0.22 0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1whq s SER 94 Cb 0.01 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1whq s SER 94 CO 0.67 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.68