#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 3.59 0.76 1.61 1.04 -1.26 -5.14 113.70 114.30 1whq s SER -2 Ca 0.00 -1.54 -0.12 0.00 0.48 0.00 0.00 55.95 54.77 1whq s SER -2 Cb 0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1whq s SER -2 CO 0.00 -0.72 1.11 -0.94 0.98 0.00 0.00 173.24 173.67 1whq s SER -1 N -3.73 4.45 0.00 7.02 1.04 -1.26 -4.01 113.70 117.21 1whq s SER -1 Ca 0.21 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1whq s SER -1 Cb 0.05 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1whq s SER -1 CO 0.11 -2.08 0.00 0.61 0.98 0.00 0.00 173.24 172.86 1whq n GLY 0 N -0.78 2.17 3.28 7.32 0.00 -1.26 -4.95 105.19 110.97 1whq n GLY 0 Ca 0.10 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.26 -0.17 1.61 0.01 -1.26 -5.08 113.70 111.09 1whq s SER 1 Ca 0.00 -0.84 -0.12 0.00 1.31 0.00 0.00 55.95 56.30 1whq s SER 1 Cb 0.00 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.06 1whq s SER 1 CO 0.00 -0.11 -0.27 -0.24 0.41 0.00 0.00 173.24 173.03 1whq n SER 2 N 0.40 1.63 0.00 2.44 2.88 -1.26 -4.30 113.62 115.41 1whq n SER 2 Ca -0.14 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1whq n SER 2 Cb 0.57 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1whq n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whq n GLY 3 N 1.79 -0.79 0.12 0.46 0.00 -1.26 -4.56 105.19 100.95 1whq n GLY 3 Ca -0.26 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.90 1.52 -0.32 -0.61 0.13 -1.26 -4.29 119.36 113.63 1whq n ILE 4 Ca 0.00 -0.70 0.09 0.00 -1.10 0.00 0.00 62.75 61.04 1whq n ILE 4 Cb 0.00 -1.12 0.26 0.00 -0.84 0.00 0.00 39.64 37.94 1whq n ILE 4 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1whq h LYS 5 N 0.01 0.65 0.00 9.51 3.11 -1.89 0.34 116.57 128.30 1whq h LYS 5 Ca -0.51 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.25 1whq h LYS 5 Cb 2.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 33.12 1whq h LYS 5 CO -0.00 0.43 -0.19 -0.97 -2.81 0.00 0.00 179.45 175.91 1whq h ASN 6 N 0.67 0.00 0.25 4.20 -0.73 -1.80 -2.39 115.58 115.78 1whq h ASN 6 Ca 0.50 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.66 1whq h ASN 6 Cb 0.74 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.33 1whq h ASN 6 CO -0.37 0.19 -0.12 0.15 -0.37 0.00 0.00 177.43 176.91 1whq h PHE 7 N 0.00 -0.31 -0.48 0.67 3.57 -0.56 -2.92 116.94 116.91 1whq h PHE 7 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1whq h PHE 7 Cb 0.40 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.14 1whq h PHE 7 CO 0.00 -0.19 -0.24 1.25 -2.23 0.00 0.00 178.31 176.89 1whq h LEU 8 N -1.07 -0.84 0.14 0.59 5.85 -1.26 0.15 115.31 118.87 1whq h LEU 8 Ca -0.03 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1whq h LEU 8 Cb 0.26 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1whq h LEU 8 CO 0.06 -0.26 -0.52 0.22 -0.34 0.00 0.00 178.44 177.59 1whq h TYR 9 N -0.14 -1.50 -0.58 1.25 3.20 -1.56 0.11 116.97 117.75 1whq h TYR 9 Ca 0.22 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.23 1whq h TYR 9 Cb 0.49 0.64 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 1whq h TYR 9 CO -0.51 -0.60 0.15 0.00 -1.64 0.00 0.00 178.16 175.57 1whq h ALA 10 N -0.51 0.70 0.10 1.82 0.00 -1.20 0.18 119.26 120.35 1whq h ALA 10 Ca -0.01 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1whq h ALA 10 Cb 0.76 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1whq h ALA 10 CO -0.27 -0.27 -0.21 2.35 0.00 0.00 0.00 179.25 180.85 1whq h TRP 11 N 0.30 -0.54 -0.05 0.00 7.01 -0.10 0.07 115.95 122.64 1whq h TRP 11 Ca 0.30 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.31 1whq h TRP 11 Cb 0.41 0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1whq h TRP 11 CO -0.22 -0.30 0.03 0.00 -2.79 0.00 0.00 178.44 175.17 1whq h GLY 13 N 0.06 0.00 2.00 0.00 0.00 -0.31 0.73 103.07 105.55 1whq h GLY 13 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1whq h GLY 13 CO -0.00 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 176.89 1whq h LYS 14 N 0.00 0.00 -0.50 4.80 1.57 -0.37 -2.35 116.57 119.72 1whq h LYS 14 Ca 0.09 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 1whq h LYS 14 Cb 0.39 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.59 1whq h LYS 14 CO -0.00 0.15 0.12 0.54 -0.57 0.00 0.00 179.45 179.69 1whq n ARG 15 N -3.54 2.52 -3.46 3.15 1.74 0.06 -4.93 116.66 112.20 1whq n ARG 15 Ca -0.01 -3.06 -0.19 0.00 -0.77 0.00 0.00 57.85 53.81 1whq n ARG 15 Cb 0.29 -1.96 0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1whq n ARG 15 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1whq n LYS 16 N -0.80 -7.00 -4.26 5.56 5.02 -0.88 -5.02 118.16 110.79 1whq n LYS 16 Ca 0.36 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 57.29 1whq n LYS 16 Cb 1.17 -5.76 -0.11 0.00 -0.02 0.00 0.00 35.03 30.31 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1whq s MET 17 N -5.75 1.07 -0.23 1.97 -1.94 -0.11 -4.98 119.30 109.33 1whq s MET 17 Ca 0.26 -1.35 -0.04 0.00 -1.71 0.00 0.00 55.69 52.85 1whq s MET 17 Cb -0.11 -0.84 0.08 0.00 2.01 0.00 0.00 34.83 35.97 1whq s MET 17 CO 0.70 0.14 0.10 0.99 -0.01 0.00 0.00 175.02 176.95 1whq s THR 18 N -2.62 0.09 0.27 2.05 2.01 -1.26 -2.43 115.64 113.74 1whq s THR 18 Ca 0.13 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1whq s THR 18 Cb -0.02 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1whq s THR 18 CO 0.03 -0.49 1.26 -2.16 -0.69 0.00 0.00 174.62 172.57 1whq s PRO 19 N 2.04 4.44 -0.12 4.92 0.04 -1.26 -4.88 135.00 140.17 1whq s PRO 19 Ca 0.05 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1whq s PRO 19 Cb -0.16 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1whq s PRO 19 CO -0.22 -0.12 -0.01 0.00 0.04 0.00 0.00 177.00 176.70 1whq s ALA 20 N -0.64 3.19 -0.06 8.56 0.00 -1.15 -4.99 121.76 126.66 1whq s ALA 20 Ca 0.51 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1whq s ALA 20 Cb -0.37 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1whq s ALA 20 CO 0.44 0.41 -0.24 0.71 0.00 0.00 0.00 175.76 177.09 1whq s TYR 21 N -0.30 2.48 -0.07 0.00 1.51 -1.26 -2.87 117.35 116.83 1whq s TYR 21 Ca 0.06 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1whq s TYR 21 Cb -0.12 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1whq s TYR 21 CO 0.02 -0.20 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.19 1whq s GLU 22 N -0.14 1.22 -0.20 -0.62 2.56 -1.18 -5.02 118.70 115.32 1whq s GLU 22 Ca -0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.97 54.64 1whq s GLU 22 Cb -0.14 -1.20 -0.05 0.00 2.00 0.00 0.00 34.13 34.74 1whq s GLU 22 CO 0.04 -0.12 0.11 0.42 -0.56 0.00 0.00 175.26 175.15 1whq s ILE 23 N 1.17 5.15 0.23 -3.70 1.01 -1.26 -2.83 121.20 120.97 1whq s ILE 23 Ca -0.06 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.78 1whq s ILE 23 Cb -0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1whq s ILE 23 CO -0.01 0.43 -0.07 -0.60 0.00 0.00 0.00 174.94 174.69 1whq s ARG 24 N 0.51 2.12 -0.21 2.79 6.06 -1.02 -4.97 118.95 124.22 1whq s ARG 24 Ca 0.06 -1.40 -0.02 0.00 -2.50 0.00 0.00 55.73 51.87 1whq s ARG 24 Cb -0.12 -2.11 0.01 0.00 0.06 0.00 0.00 34.95 32.79 1whq s ARG 24 CO -0.00 0.39 -0.11 0.00 -2.50 0.00 0.00 175.30 173.08 1whq s ALA 25 N -2.09 2.61 0.18 6.12 0.00 -1.26 -2.29 121.76 125.02 1whq s ALA 25 Ca 0.29 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1whq s ALA 25 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1whq s ALA 25 CO 0.17 -0.46 0.12 0.14 0.00 0.00 0.00 175.76 175.73 1whq s VAL 26 N 1.38 0.03 0.00 0.00 -7.23 -0.99 -5.01 120.40 108.58 1whq s VAL 26 Ca 0.05 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1whq s VAL 26 Cb -0.14 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1whq s VAL 26 CO -0.07 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1whq n GLY 27 N -0.22 -0.97 3.98 2.32 0.00 -1.26 -0.73 105.19 108.31 1whq n GLY 27 Ca -0.00 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 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 -4.00 5.93 0.25 1.61 0.01 -0.10 -4.96 114.94 113.69 1whq s ASN 28 Ca 0.00 -0.09 -0.03 0.00 -0.71 0.00 0.00 52.86 52.03 1whq s ASN 28 Cb 0.00 -1.28 0.52 0.00 0.41 0.00 0.00 41.25 40.90 1whq s ASN 28 CO 0.00 -0.50 1.70 0.50 -1.51 0.00 0.00 177.10 177.28 1whq h LYS 29 N 0.77 0.33 0.22 -0.60 3.64 -2.02 -1.74 116.57 117.19 1whq h LYS 29 Ca -0.46 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 58.57 1whq h LYS 29 Cb 1.26 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1whq h LYS 29 CO 0.54 0.22 -1.54 -2.95 -2.27 0.00 0.00 179.45 173.44 1whq h ASN 30 N 0.34 0.74 -3.01 4.20 7.08 -2.01 -3.40 115.58 119.52 1whq h ASN 30 Ca 0.45 -0.87 -0.76 0.00 -3.08 0.00 0.00 56.30 52.04 1whq h ASN 30 Cb 0.76 -0.24 -0.23 0.00 -2.08 0.00 0.00 38.32 36.53 1whq h ASN 30 CO -0.49 1.70 0.70 -0.13 -2.08 0.00 0.00 177.43 177.13 1whq s ARG 31 N -2.60 3.94 0.14 4.14 0.52 -0.66 -5.02 118.95 119.41 1whq s ARG 31 Ca -0.10 -2.62 -0.30 0.00 -0.52 0.00 0.00 55.73 52.19 1whq s ARG 31 Cb 0.05 -4.74 -0.07 0.00 0.52 0.00 0.00 34.95 30.71 1whq s ARG 31 CO 0.92 -1.50 0.96 -1.14 0.02 0.00 0.00 175.30 174.56 1whq s GLN 32 N 0.56 4.73 0.11 3.54 2.00 -1.20 -0.92 119.66 128.49 1whq s GLN 32 Ca 0.32 1.47 0.04 0.00 -2.00 0.00 0.00 55.36 55.18 1whq s GLN 32 Cb -0.07 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1whq s GLN 32 CO -0.06 0.28 -0.10 0.21 -0.50 0.00 0.00 175.29 175.12 1whq s LYS 33 N -0.28 0.93 -0.20 1.67 2.20 0.09 -4.30 119.74 119.85 1whq s LYS 33 Ca 0.46 -1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1whq s LYS 33 Cb -0.24 -0.56 0.06 0.00 -1.51 0.00 0.00 37.83 35.58 1whq s LYS 33 CO 0.30 0.08 0.03 -0.06 -0.36 0.00 0.00 175.35 175.34 1whq s PHE 34 N -2.81 1.15 -0.54 4.03 0.08 -0.47 -2.34 117.98 117.07 1whq s PHE 34 Ca 0.10 -0.95 -0.17 0.00 0.12 0.00 0.00 56.93 56.03 1whq s PHE 34 Cb -0.01 -1.08 0.10 0.00 -0.57 0.00 0.00 43.02 41.47 1whq s PHE 34 CO -0.00 -0.63 0.56 -1.64 -0.10 0.00 0.00 175.22 173.41 1whq s MET 35 N 1.81 3.02 -0.01 0.44 -1.94 -0.97 -2.36 119.30 119.29 1whq s MET 35 Ca -0.01 -1.43 -0.07 0.00 -1.71 0.00 0.00 55.69 52.47 1whq s MET 35 Cb -0.17 -4.24 -0.05 0.00 2.01 0.00 0.00 34.83 32.38 1whq s MET 35 CO -0.08 -1.33 0.25 0.00 -0.01 0.00 0.00 175.02 173.85 1whq s GLU 37 N -1.66 0.15 0.07 0.00 8.01 -1.13 -1.12 118.70 123.02 1whq s GLU 37 Ca 0.26 0.39 0.04 0.00 0.01 0.00 0.00 54.97 55.67 1whq s GLU 37 Cb -0.13 -0.10 -0.04 0.00 -4.31 0.00 0.00 34.13 29.55 1whq s GLU 37 CO 0.15 -0.13 -0.02 0.54 0.01 0.00 0.00 175.26 175.80 1whq s VAL 38 N 0.96 3.90 0.00 2.63 0.11 -0.23 -3.13 120.40 124.65 1whq s VAL 38 Ca -0.07 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1whq s VAL 38 Cb -0.09 -2.82 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1whq s VAL 38 CO -0.05 0.19 0.00 -0.13 -3.33 0.00 0.00 175.10 171.78 1whq s ARG 39 N -2.08 0.11 -0.10 1.54 0.52 -1.14 -2.70 118.95 115.10 1whq s ARG 39 Ca 0.23 -0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 1whq s ARG 39 Cb -0.12 0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.43 1whq s ARG 39 CO 0.15 -0.02 -0.00 0.08 0.02 0.00 0.00 175.30 175.53 1whq s VAL 40 N -0.43 0.50 -0.09 3.52 1.01 -1.26 -2.94 120.40 120.70 1whq s VAL 40 Ca -0.05 -0.07 -0.38 0.00 0.00 0.00 0.00 61.98 61.48 1whq s VAL 40 Cb -0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 36.38 35.48 1whq s VAL 40 CO -0.00 0.18 1.55 1.21 0.00 0.00 0.00 175.10 178.04 1whq n GLU 41 N 5.10 1.18 0.00 2.72 2.13 -1.26 -1.55 120.64 128.96 1whq n GLU 41 Ca -0.08 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1whq n GLU 41 Cb 0.49 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 3.37 2.19 3.89 8.31 0.00 -1.26 -5.08 105.19 116.62 1whq n GLY 42 Ca 0.22 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.78 3.40 -0.17 1.61 0.40 -0.60 -5.04 117.98 116.80 1whq s PHE 43 Ca 0.00 0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.30 1whq s PHE 43 Cb 0.00 -1.68 -0.22 0.00 0.51 0.00 0.00 43.02 41.64 1whq s PHE 43 CO 0.00 0.55 0.29 -0.91 0.70 0.00 0.00 175.22 175.85 1whq h ASN 44 N 2.75 0.15 -3.97 1.36 4.21 -1.98 -3.44 115.58 114.66 1whq h ASN 44 Ca -0.47 -0.67 -0.53 0.00 1.21 0.00 0.00 56.30 55.84 1whq h ASN 44 Cb 1.18 -0.05 0.10 0.00 -1.12 0.00 0.00 38.32 38.43 1whq h ASN 44 CO 0.70 1.60 0.65 -0.47 -1.29 0.00 0.00 177.43 178.62 1whq s TYR 45 N -2.42 2.65 -0.21 1.19 5.04 -1.26 -5.02 117.35 117.32 1whq s TYR 45 Ca -0.26 1.34 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1whq s TYR 45 Cb 0.06 -3.78 0.06 0.00 0.35 0.00 0.00 41.96 38.65 1whq s TYR 45 CO 0.66 -2.47 0.01 0.00 -1.34 0.00 0.00 175.55 172.41 1whq s ALA 46 N -1.24 1.29 -0.07 3.97 0.00 -1.26 -4.72 121.76 119.74 1whq s ALA 46 Ca 0.59 -0.92 -0.39 0.00 0.00 0.00 0.00 51.96 51.24 1whq s ALA 46 Cb -0.40 -1.27 -0.19 0.00 0.00 0.00 0.00 23.12 21.26 1whq s ALA 46 CO 0.52 -1.20 1.09 0.41 0.00 0.00 0.00 175.76 176.57 1whq n GLY 47 N 4.94 -0.20 3.21 0.00 0.00 -1.10 -4.62 105.19 107.41 1whq n GLY 47 Ca -0.09 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 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 0.39 2.18 -0.15 1.61 0.23 -1.26 -1.07 119.30 121.24 1whq s MET 48 Ca 0.88 -0.77 -0.09 0.00 -1.03 0.00 0.00 55.69 54.68 1whq s MET 48 Cb -1.24 -1.88 0.05 0.00 -1.53 0.00 0.00 34.83 30.24 1whq s MET 48 CO 0.57 0.33 0.37 0.20 -2.03 0.00 0.00 175.02 174.46 1whq s GLY 49 N -0.10 -0.28 -0.02 3.16 0.00 -0.28 -4.15 107.32 105.65 1whq s GLY 49 Ca -0.03 1.31 0.03 0.00 0.00 0.00 0.00 44.72 46.03 1whq s GLY 49 CO 0.03 1.41 -0.10 -1.31 0.00 0.00 0.00 173.10 173.13 1whq s ASN 50 N 1.06 1.27 -0.22 1.64 0.01 -1.26 -0.13 114.94 117.31 1whq s ASN 50 Ca -0.07 -0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.59 1whq s ASN 50 Cb -0.07 -0.30 0.16 0.00 0.41 0.00 0.00 41.25 41.45 1whq s ASN 50 CO -0.09 0.08 1.18 -0.44 -1.51 0.00 0.00 177.10 176.32 1whq s SER 51 N 0.09 -0.21 0.57 -1.22 0.01 -1.00 -4.83 113.70 107.12 1whq s SER 51 Ca -0.02 0.22 0.27 0.00 1.31 0.00 0.00 55.95 57.73 1whq s SER 51 Cb -0.08 0.17 1.52 0.00 0.21 0.00 0.00 66.02 67.84 1whq s SER 51 CO 0.00 -0.19 2.04 0.71 0.41 0.00 0.00 173.24 176.22 1whq h THR 52 N 2.31 0.57 -2.74 1.44 1.35 -1.87 -1.26 112.91 112.72 1whq h THR 52 Ca -0.13 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.23 1whq h THR 52 Cb 1.17 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1whq h THR 52 CO 0.27 0.00 -0.29 0.20 -0.25 0.00 0.00 175.52 175.44 1whq s ASN 53 N -5.93 6.35 -0.10 5.36 0.01 -1.26 -4.55 114.94 114.83 1whq s ASN 53 Ca -0.05 0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 52.33 1whq s ASN 53 Cb 0.17 -2.00 -0.28 0.00 0.41 0.00 0.00 41.25 39.55 1whq s ASN 53 CO 0.61 -0.14 0.58 0.11 -1.51 0.00 0.00 177.10 176.76 1whq h LYS 54 N 1.44 0.26 -0.39 -0.60 1.57 -1.94 -3.07 116.57 113.83 1whq h LYS 54 Ca -0.49 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 57.87 1whq h LYS 54 Cb 1.21 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1whq h LYS 54 CO 0.65 1.21 0.19 1.57 -0.57 0.00 0.00 179.45 182.50 1whq h LYS 55 N -0.27 0.38 -0.18 3.15 2.10 -1.96 -1.01 116.57 118.78 1whq h LYS 55 Ca -0.30 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.31 1whq h LYS 55 Cb 1.79 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 33.03 1whq h LYS 55 CO 0.07 0.25 0.04 0.22 -2.00 0.00 0.00 179.45 178.03 1whq h ASP 56 N 0.39 0.28 -0.78 7.07 3.58 -1.96 -1.92 116.42 123.07 1whq h ASP 56 Ca 0.17 -0.24 0.11 0.00 0.42 0.00 0.00 57.03 57.49 1whq h ASP 56 Cb 0.09 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 40.99 1whq h ASP 56 CO -0.13 0.45 0.41 0.00 -2.88 0.00 0.00 179.24 177.09 1whq h ALA 57 N 0.84 1.12 -0.27 -0.78 0.00 -1.39 0.19 119.26 118.97 1whq h ALA 57 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1whq h ALA 57 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1whq h ALA 57 CO 0.00 -0.01 0.03 1.96 0.00 0.00 0.00 179.25 181.22 1whq h GLN 58 N 0.67 0.46 -0.77 0.00 4.20 -1.05 -1.89 115.11 116.73 1whq h GLN 58 Ca 0.39 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1whq h GLN 58 Cb 0.44 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1whq h GLN 58 CO -0.29 0.60 0.49 0.66 -0.67 0.00 0.00 178.83 179.62 1whq h SER 59 N 0.27 0.91 -0.21 1.46 4.64 -0.58 -2.22 113.55 117.81 1whq h SER 59 Ca 0.08 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1whq h SER 59 Cb 0.37 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1whq h SER 59 CO 0.01 0.68 -0.02 0.78 -0.87 0.00 0.00 176.83 177.40 1whq h ASN 60 N 1.06 0.37 -0.50 4.97 2.35 -0.81 -1.87 115.58 121.14 1whq h ASN 60 Ca 0.28 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1whq h ASN 60 Cb -0.09 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.13 1whq h ASN 60 CO -0.06 0.62 0.19 0.00 -1.65 0.00 0.00 177.43 176.53 1whq h ALA 61 N 0.77 0.62 0.38 -0.83 0.00 -0.99 0.38 119.26 119.59 1whq h ALA 61 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1whq h ALA 61 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1whq h ALA 61 CO 0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 179.25 178.88 1whq h ALA 62 N 1.33 -0.95 -0.91 0.00 0.00 -1.36 -2.94 119.26 114.43 1whq h ALA 62 Ca 0.24 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.29 1whq h ALA 62 Cb 0.25 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 1whq h ALA 62 CO -0.24 -0.91 0.31 -0.09 0.00 0.00 0.00 179.25 178.32 1whq h ARG 63 N -0.59 0.22 -0.12 0.00 9.65 -1.30 -0.26 114.38 121.99 1whq h ARG 63 Ca -0.05 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1whq h ARG 63 Cb 0.39 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 1whq h ARG 63 CO 0.09 0.15 -0.46 -0.44 2.80 0.00 0.00 179.97 182.10 1whq h ASP 64 N 0.23 -1.45 -0.32 -3.80 5.19 -0.88 0.54 116.42 115.93 1whq h ASP 64 Ca 0.60 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 57.18 1whq h ASP 64 Cb 1.25 0.58 -0.02 0.00 0.18 0.00 0.00 39.33 41.31 1whq h ASP 64 CO -0.65 -0.45 0.18 0.15 -3.12 0.00 0.00 179.24 175.35 1whq h PHE 65 N -0.53 0.47 0.49 4.55 3.57 -0.91 -2.86 116.94 121.71 1whq h PHE 65 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1whq h PHE 65 Cb 0.65 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1whq h PHE 65 CO -0.51 0.34 -0.24 0.28 -2.23 0.00 0.00 178.31 175.96 1whq h VAL 66 N 0.49 0.52 -0.75 1.41 2.07 0.12 -1.76 116.25 118.35 1whq h VAL 66 Ca 0.13 -0.07 0.19 0.00 0.82 0.00 0.00 66.70 67.77 1whq h VAL 66 Cb 0.04 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1whq h VAL 66 CO -0.02 0.01 0.52 -0.55 0.02 0.00 0.00 177.57 177.55 1whq h ASN 67 N -0.70 0.17 -0.06 0.57 7.08 -0.75 0.83 115.58 122.72 1whq h ASN 67 Ca -0.07 0.01 -0.18 0.00 -3.08 0.00 0.00 56.30 52.99 1whq h ASN 67 Cb 0.52 -0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 36.74 1whq h ASN 67 CO 0.11 0.08 -0.59 0.22 -2.08 0.00 0.00 177.43 175.17 1whq h TYR 68 N 0.18 0.85 -0.49 4.14 3.20 -1.25 -2.97 116.97 120.62 1whq h TYR 68 Ca 0.37 -0.32 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1whq h TYR 68 Cb 1.17 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1whq h TYR 68 CO -0.00 1.10 0.22 -0.07 -1.64 0.00 0.00 178.16 177.76 1whq h LEU 69 N 0.50 0.29 -0.64 2.82 3.38 0.04 -2.17 115.31 119.53 1whq h LEU 69 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1whq h LEU 69 Cb 1.17 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1whq h LEU 69 CO 0.12 0.20 0.28 0.58 0.09 0.00 0.00 178.44 179.71 1whq h VAL 70 N 0.43 1.23 -0.86 1.22 2.07 -1.51 0.10 116.25 118.94 1whq h VAL 70 Ca 0.22 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 67.18 1whq h VAL 70 Cb 0.17 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1whq h VAL 70 CO -0.18 0.27 0.55 0.03 0.02 0.00 0.00 177.57 178.27 1whq h ARG 71 N 0.89 0.71 -0.15 1.57 2.47 -1.25 0.35 114.38 118.99 1whq h ARG 71 Ca 0.22 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1whq h ARG 71 Cb 0.16 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1whq h ARG 71 CO -0.02 0.47 0.00 0.44 0.56 0.00 0.00 179.97 181.42 1whq n ILE 72 N -4.53 0.19 -3.29 2.04 -5.35 -0.93 -4.92 119.36 102.57 1whq n ILE 72 Ca 0.15 -0.31 -0.17 0.00 -0.27 0.00 0.00 62.75 62.16 1whq n ILE 72 Cb 0.39 0.28 0.07 0.00 -1.74 0.00 0.00 39.64 38.64 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 0.19 -4.31 -0.05 7.28 4.13 0.12 -4.93 115.26 117.70 1whq n ASN 73 Ca 0.16 -0.45 -0.03 0.00 1.68 0.00 0.00 54.58 55.94 1whq n ASN 73 Cb 0.29 -4.12 -0.11 0.00 -1.54 0.00 0.00 39.78 34.31 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 -3.87 1.46 -4.10 3.52 -0.58 0.31 -5.00 120.64 112.38 1whq n GLU 74 Ca -0.07 -0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.48 1whq n GLU 74 Cb 0.58 -1.34 -0.13 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.50 0.39 -0.12 2.62 1.01 -1.21 -4.95 120.40 115.64 1whq s VAL 75 Ca -0.06 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1whq s VAL 75 Cb 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1whq s VAL 75 CO 0.56 -0.05 0.44 -0.54 0.00 0.00 0.00 175.10 175.51 1whq s LYS 76 N -0.53 4.30 0.34 2.72 1.02 -1.26 -4.02 119.74 122.31 1whq s LYS 76 Ca -0.02 0.38 0.11 0.00 0.02 0.00 0.00 55.97 56.45 1whq s LYS 76 Cb -0.04 -3.42 0.88 0.00 -0.52 0.00 0.00 37.83 34.73 1whq s LYS 76 CO -0.00 0.20 1.77 1.03 -0.92 0.00 0.00 175.35 177.44 1whq h SER 77 N 6.60 0.65 -1.11 2.83 0.87 -1.98 0.23 113.55 121.65 1whq h SER 77 Ca -0.42 0.10 0.32 0.00 -1.23 0.00 0.00 61.79 60.56 1whq h SER 77 Cb 1.18 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1whq h SER 77 CO 0.75 0.19 0.86 1.05 -0.53 0.00 0.00 176.83 179.15 1whq h GLU 78 N 0.61 0.00 0.03 2.24 4.11 -2.01 0.75 114.58 120.32 1whq h GLU 78 Ca 0.59 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.75 1whq h GLU 78 Cb 1.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1whq h GLU 78 CO -0.36 0.00 -1.43 0.93 0.07 0.00 0.00 179.01 178.22 1whq h GLU 79 N 0.00 0.07 -6.81 1.06 5.08 -0.95 -3.46 114.58 109.57 1whq h GLU 79 Ca 0.53 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 58.25 1whq h GLU 79 Cb 2.24 0.04 0.05 0.00 0.50 0.00 0.00 28.75 31.58 1whq h GLU 79 CO -0.01 0.84 0.60 0.08 -1.00 0.00 0.00 179.01 179.53 1whq s VAL 80 N -2.64 3.02 0.58 3.13 1.01 0.26 -5.00 120.40 120.76 1whq s VAL 80 Ca -0.04 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 1whq s VAL 80 Cb 0.08 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1whq s VAL 80 CO 0.83 0.21 1.12 -2.16 0.00 0.00 0.00 175.10 175.10 1whq s PRO 81 N -1.28 3.19 0.27 2.72 0.04 -1.26 -4.96 135.00 133.71 1whq s PRO 81 Ca 0.50 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 1whq s PRO 81 Cb -0.37 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1whq s PRO 81 CO 0.46 -0.97 0.58 0.00 0.04 0.00 0.00 177.00 177.12 1whq s ALA 82 N -1.94 3.54 -1.56 8.56 0.00 -1.26 -4.95 121.76 124.15 1whq s ALA 82 Ca 0.71 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1whq s ALA 82 Cb -0.23 -2.45 0.45 0.00 0.00 0.00 0.00 23.12 20.88 1whq s ALA 82 CO 0.31 0.39 1.10 0.28 0.00 0.00 0.00 175.76 177.84 1whq n VAL 83 N -0.45 0.64 0.00 0.00 0.31 -1.26 -4.87 118.33 112.70 1whq n VAL 83 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1whq n VAL 83 Cb 0.53 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1whq n VAL 83 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1whq n GLY 84 N -0.55 1.12 3.76 2.92 0.00 -1.26 -4.78 105.19 106.40 1whq n GLY 84 Ca 0.05 0.46 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.54 0.08 -0.61 -5.25 -1.26 -5.06 121.20 112.64 1whq s ILE 85 Ca 0.00 1.47 0.05 0.00 -0.99 0.00 0.00 60.65 61.18 1whq s ILE 85 Cb 0.00 -3.91 -0.03 0.00 2.95 0.00 0.00 42.46 41.47 1whq s ILE 85 CO 0.00 0.29 -0.14 0.68 -1.79 0.00 0.00 174.94 173.98 1whq s VAL 86 N -1.26 1.10 0.50 8.37 -7.23 -1.26 -5.14 120.40 115.48 1whq s VAL 86 Ca 0.47 -1.36 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1whq s VAL 86 Cb -0.30 -1.12 -0.07 0.00 0.56 0.00 0.00 36.38 35.45 1whq s VAL 86 CO 0.38 -0.27 1.15 -2.16 -0.31 0.00 0.00 175.10 173.89 1whq s PRO 87 N -1.90 3.56 0.50 4.82 0.04 -1.26 -5.01 135.00 135.75 1whq s PRO 87 Ca -0.01 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 1whq s PRO 87 Cb -0.09 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1whq s PRO 87 CO 0.02 -0.70 1.14 -1.25 0.04 0.00 0.00 177.00 176.25 1whq s PRO 88 N -2.99 3.56 0.15 0.56 0.04 -1.26 -4.97 135.00 130.08 1whq s PRO 88 Ca 0.68 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 1whq s PRO 88 Cb -0.26 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1whq s PRO 88 CO 0.31 -0.70 1.49 -1.00 0.04 0.00 0.00 177.00 177.13 1whq h PRO 89 N 1.61 0.91 -6.47 0.56 0.13 -2.04 -3.44 132.00 123.26 1whq h PRO 89 Ca -0.50 -0.48 -0.53 0.00 -0.87 0.00 0.00 66.00 63.62 1whq h PRO 89 Cb 1.25 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1whq h PRO 89 CO 0.58 1.13 0.15 0.45 -0.23 0.00 0.00 178.00 180.08 1whq s SER 90 N -6.84 7.34 0.00 1.44 0.15 -1.26 -4.95 113.70 109.58 1whq s SER 90 Ca -0.11 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1whq s SER 90 Cb 0.11 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1whq s SER 90 CO 0.88 0.21 0.00 0.61 1.20 0.00 0.00 173.24 176.14 1whq n GLY 91 N 1.64 3.07 3.77 9.45 0.00 -1.26 -5.08 105.19 116.77 1whq n GLY 91 Ca -0.06 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -4.38 2.71 -0.12 1.61 0.04 -1.26 -5.00 135.00 128.59 1whq s PRO 92 Ca 0.00 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 1whq s PRO 92 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1whq s PRO 92 CO 0.00 -1.32 -0.13 0.43 0.04 0.00 0.00 177.00 176.02 1whq n SER 93 N -2.60 1.96 -4.63 6.66 7.64 -1.26 -5.06 113.62 116.33 1whq n SER 93 Ca 0.10 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.79 1whq n SER 93 Cb 0.52 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1whq n SER 93 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whq s SER 94 N -5.62 4.29 0.00 6.43 0.01 -1.26 -5.31 113.70 112.25 1whq s SER 94 Ca -0.16 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1whq s SER 94 Cb 0.05 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1whq s SER 94 CO 0.24 -0.14 0.46 0.61 0.41 0.00 0.00 173.24 174.82