#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 6.44 0.48 1.61 0.01 -1.26 -5.03 113.70 115.95 1whq s SER -2 Ca 0.00 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.14 1whq s SER -2 Cb 0.00 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 1whq s SER -2 CO 0.00 -1.26 0.84 -0.94 0.41 0.00 0.00 173.24 172.28 1whq s SER -1 N 2.70 6.38 0.24 2.44 1.04 -1.26 -4.93 113.70 120.32 1whq s SER -1 Ca 0.37 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1whq s SER -1 Cb -0.10 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1whq s SER -1 CO 0.24 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1whq n GLY 0 N -1.93 -3.01 3.76 7.32 0.00 -1.26 -4.89 105.19 105.18 1whq n GLY 0 Ca 0.03 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.99 5.40 -0.18 1.61 0.01 -1.26 -4.99 113.70 109.30 1whq s SER 1 Ca 0.00 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.50 1whq s SER 1 Cb 0.00 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 1whq s SER 1 CO 0.00 -1.45 -0.30 -1.20 0.41 0.00 0.00 173.24 170.71 1whq n SER 2 N -1.34 1.91 0.00 2.44 7.64 -1.26 -5.10 113.62 117.91 1whq n SER 2 Ca 0.12 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1whq n SER 2 Cb 0.49 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1whq n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whq n GLY 3 N 1.49 -0.93 0.06 0.23 0.00 -1.26 -4.03 105.19 100.74 1whq n GLY 3 Ca -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.77 0.20 -0.61 0.13 -1.26 -4.45 119.36 114.14 1whq n ILE 4 Ca 0.00 -0.54 0.04 0.00 -1.10 0.00 0.00 62.75 61.16 1whq n ILE 4 Cb 0.00 -0.48 0.43 0.00 -0.84 0.00 0.00 39.64 38.75 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 0.00 0.00 9.51 5.09 -1.89 -1.81 116.57 127.47 1whq h LYS 5 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.44 1whq h LYS 5 Cb 1.63 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.96 1whq h LYS 5 CO 0.02 0.29 0.00 -0.91 -2.09 0.00 0.00 179.45 176.76 1whq h ASN 6 N 0.00 0.00 0.00 7.07 4.21 -1.78 -2.70 115.58 122.38 1whq h ASN 6 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1whq h ASN 6 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1whq h ASN 6 CO 0.04 0.00 -0.28 0.15 -1.29 0.00 0.00 177.43 176.05 1whq h PHE 7 N 0.00 0.00 -0.57 1.19 3.57 -1.57 -3.28 116.94 116.27 1whq h PHE 7 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1whq h PHE 7 Cb 0.46 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.10 1whq h PHE 7 CO 0.00 0.00 -0.08 1.25 -2.23 0.00 0.00 178.31 177.25 1whq h LEU 8 N -0.85 -0.41 -0.21 0.59 5.85 -1.58 0.77 115.31 119.48 1whq h LEU 8 Ca 0.00 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1whq h LEU 8 Cb 0.28 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1whq h LEU 8 CO 0.00 -0.15 -0.28 0.22 -0.34 0.00 0.00 178.44 177.89 1whq h TYR 9 N 0.05 -0.76 0.28 1.25 3.20 -1.68 0.65 116.97 119.95 1whq h TYR 9 Ca 0.29 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1whq h TYR 9 Cb 0.45 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1whq h TYR 9 CO -0.42 -0.36 -0.15 0.00 -1.64 0.00 0.00 178.16 175.59 1whq h ALA 10 N 0.64 -0.40 -0.49 1.82 0.00 -1.35 0.70 119.26 120.18 1whq h ALA 10 Ca 0.12 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1whq h ALA 10 Cb 0.50 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 1whq h ALA 10 CO -0.38 -0.73 -0.17 2.35 0.00 0.00 0.00 179.25 180.32 1whq h TRP 11 N -0.40 -0.39 0.00 0.00 7.01 -0.47 0.29 115.95 121.99 1whq h TRP 11 Ca -0.03 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1whq h TRP 11 Cb 0.32 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 1whq h TRP 11 CO -0.07 -0.26 0.00 0.00 -2.79 0.00 0.00 178.44 175.32 1whq h GLY 13 N 3.60 0.03 1.46 0.00 0.00 0.39 0.59 103.07 109.14 1whq h GLY 13 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.03 1whq h GLY 13 CO 0.00 0.05 -1.34 0.07 0.00 0.00 0.00 176.54 175.32 1whq h LYS 14 N 0.02 0.00 -0.90 4.80 2.10 -0.99 -3.29 116.57 118.31 1whq h LYS 14 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1whq h LYS 14 Cb 1.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 1whq h LYS 14 CO 0.11 0.69 0.00 0.54 -2.00 0.00 0.00 179.45 178.79 1whq n ARG 15 N -3.17 1.78 -3.59 0.07 1.74 -1.14 -4.85 116.66 107.50 1whq n ARG 15 Ca -0.08 -0.63 -0.20 0.00 -0.77 0.00 0.00 57.85 56.16 1whq n ARG 15 Cb 0.98 -1.65 0.06 0.00 -1.02 0.00 0.00 32.46 30.83 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 0.12 -6.05 -4.22 5.56 5.02 -1.23 -5.01 118.16 112.35 1whq n LYS 16 Ca 0.06 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1whq n LYS 16 Cb 0.44 -5.58 -0.10 0.00 -0.02 0.00 0.00 35.03 29.76 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 -5.80 0.98 -0.24 1.97 -1.94 0.21 -5.04 119.30 109.43 1whq s MET 17 Ca 0.12 -1.40 -0.03 0.00 -1.71 0.00 0.00 55.69 52.67 1whq s MET 17 Cb -0.06 -0.50 0.08 0.00 2.01 0.00 0.00 34.83 36.37 1whq s MET 17 CO 0.77 0.05 0.09 0.99 -0.01 0.00 0.00 175.02 176.90 1whq s THR 18 N -3.35 0.30 0.04 2.05 2.01 -1.26 -3.78 115.64 111.65 1whq s THR 18 Ca 0.15 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 1whq s THR 18 Cb 0.03 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.42 1whq s THR 18 CO -0.01 -0.47 1.41 -2.16 -0.69 0.00 0.00 174.62 172.70 1whq s PRO 19 N 1.94 4.29 -0.21 4.92 0.04 -1.26 -4.79 135.00 139.93 1whq s PRO 19 Ca 0.05 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1whq s PRO 19 Cb -0.17 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1whq s PRO 19 CO -0.20 -0.53 0.38 0.00 0.04 0.00 0.00 177.00 176.69 1whq s ALA 20 N 1.94 3.56 -0.16 8.56 0.00 -1.15 -4.96 121.76 129.55 1whq s ALA 20 Ca 0.65 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1whq s ALA 20 Cb -0.34 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1whq s ALA 20 CO 0.28 -0.33 -0.02 0.71 0.00 0.00 0.00 175.76 176.41 1whq s TYR 21 N 1.37 3.07 0.00 0.00 2.02 -1.26 -3.18 117.35 119.36 1whq s TYR 21 Ca 0.18 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1whq s TYR 21 Cb -0.15 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1whq s TYR 21 CO 0.08 0.01 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.04 1whq s GLU 22 N 0.34 0.21 0.03 -0.62 2.56 -1.23 -5.03 118.70 114.94 1whq s GLU 22 Ca -0.03 -0.14 0.09 0.00 0.00 0.00 0.00 54.97 54.89 1whq s GLU 22 Cb -0.14 -0.16 -0.03 0.00 2.00 0.00 0.00 34.13 35.80 1whq s GLU 22 CO 0.02 0.04 -0.26 0.42 -0.56 0.00 0.00 175.26 174.93 1whq s ILE 23 N -0.20 2.09 0.33 -3.70 1.01 -1.26 -2.62 121.20 116.85 1whq s ILE 23 Ca -0.01 -1.31 0.06 0.00 0.00 0.00 0.00 60.65 59.40 1whq s ILE 23 Cb -0.02 -1.77 -0.07 0.00 0.01 0.00 0.00 42.46 40.61 1whq s ILE 23 CO -0.00 0.41 -0.00 -0.60 0.00 0.00 0.00 174.94 174.75 1whq s ARG 24 N -1.07 1.70 -0.13 2.79 3.52 0.30 -4.96 118.95 121.10 1whq s ARG 24 Ca 0.11 -1.92 0.03 0.00 -0.13 0.00 0.00 55.73 53.82 1whq s ARG 24 Cb -0.10 -1.19 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1whq s ARG 24 CO 0.01 -0.06 -0.22 0.00 -0.81 0.00 0.00 175.30 174.23 1whq s ALA 25 N -3.02 2.26 0.17 6.12 0.00 -1.26 -2.35 121.76 123.68 1whq s ALA 25 Ca 0.34 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1whq s ALA 25 Cb 0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1whq s ALA 25 CO 0.15 0.02 0.20 0.14 0.00 0.00 0.00 175.76 176.27 1whq s VAL 26 N 0.73 0.05 0.00 0.00 -7.23 -0.78 -5.01 120.40 108.17 1whq s VAL 26 Ca -0.09 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1whq s VAL 26 Cb -0.16 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1whq s VAL 26 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1whq n GLY 27 N -0.21 1.77 3.39 2.32 0.00 -1.26 -0.44 105.19 110.76 1whq n GLY 27 Ca -0.04 -2.00 -0.30 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 0.00 -0.35 0.15 1.61 -0.87 -0.86 -4.83 114.94 109.79 1whq s ASN 28 Ca 0.00 0.90 -0.14 0.00 -1.57 0.00 0.00 52.86 52.05 1whq s ASN 28 Cb 0.00 -1.31 0.03 0.00 -0.02 0.00 0.00 41.25 39.95 1whq s ASN 28 CO 0.00 -4.93 1.70 0.07 -2.57 0.00 0.00 177.10 171.37 1whq h LYS 29 N -3.13 0.74 0.03 -0.60 2.10 -2.02 -3.22 116.57 110.47 1whq h LYS 29 Ca -0.47 -0.14 -0.08 0.00 -2.00 0.00 0.00 60.65 57.97 1whq h LYS 29 Cb 1.33 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1whq h LYS 29 CO 0.33 0.66 -0.31 -0.91 -2.00 0.00 0.00 179.45 177.22 1whq h ASN 30 N 0.65 0.23 -2.44 7.07 2.35 -2.01 -3.39 115.58 118.03 1whq h ASN 30 Ca 0.16 -0.86 -0.71 0.00 -0.55 0.00 0.00 56.30 54.34 1whq h ASN 30 Cb 0.20 -0.07 -0.18 0.00 0.05 0.00 0.00 38.32 38.32 1whq h ASN 30 CO -0.01 1.06 0.92 -0.60 -1.65 0.00 0.00 177.43 177.15 1whq s ARG 31 N -2.79 3.73 0.15 0.81 6.06 -1.22 -5.01 118.95 120.69 1whq s ARG 31 Ca -0.16 -2.03 -0.21 0.00 -2.50 0.00 0.00 55.73 50.83 1whq s ARG 31 Cb 0.00 -4.92 -0.08 0.00 0.06 0.00 0.00 34.95 30.01 1whq s ARG 31 CO 0.75 -1.74 0.67 -1.14 -2.50 0.00 0.00 175.30 171.34 1whq s GLN 32 N 2.21 4.30 0.06 5.12 2.00 -1.25 -2.03 119.66 130.07 1whq s GLN 32 Ca 0.34 0.87 0.01 0.00 -2.00 0.00 0.00 55.36 54.58 1whq s GLN 32 Cb -0.05 -3.11 -0.03 0.00 0.80 0.00 0.00 33.01 30.62 1whq s GLN 32 CO -0.07 0.53 -0.06 0.21 -0.50 0.00 0.00 175.29 175.41 1whq s LYS 33 N -1.46 0.64 -0.09 1.67 2.47 0.41 -4.61 119.74 118.76 1whq s LYS 33 Ca 0.36 -1.07 0.01 0.00 -1.56 0.00 0.00 55.97 53.71 1whq s LYS 33 Cb -0.19 -0.09 0.02 0.00 -1.46 0.00 0.00 37.83 36.11 1whq s LYS 33 CO 0.22 -0.03 -0.09 -0.06 0.16 0.00 0.00 175.35 175.55 1whq s PHE 34 N -2.83 1.38 -0.08 4.03 0.08 -1.04 -1.86 117.98 117.66 1whq s PHE 34 Ca 0.01 -0.60 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 1whq s PHE 34 Cb -0.00 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 1whq s PHE 34 CO -0.04 -0.40 -0.05 -1.64 -0.10 0.00 0.00 175.22 172.99 1whq s MET 35 N 1.29 2.92 0.09 0.44 -1.94 -0.99 -1.77 119.30 119.33 1whq s MET 35 Ca -0.03 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 1whq s MET 35 Cb -0.14 -2.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 1whq s MET 35 CO -0.03 0.62 -0.21 0.00 -0.01 0.00 0.00 175.02 175.39 1whq s GLU 37 N -1.73 0.18 -0.14 0.00 -1.05 -1.08 -1.66 118.70 113.23 1whq s GLU 37 Ca 0.06 0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 55.54 1whq s GLU 37 Cb -0.10 -0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.51 1whq s GLU 37 CO 0.04 -0.24 -0.01 0.54 0.95 0.00 0.00 175.26 176.54 1whq s VAL 38 N 1.99 4.15 -0.06 1.83 0.11 -0.94 -3.57 120.40 123.92 1whq s VAL 38 Ca -0.03 -0.28 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1whq s VAL 38 Cb -0.11 -2.80 -0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1whq s VAL 38 CO -0.09 0.52 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.87 1whq s ARG 39 N -0.03 2.15 -0.18 1.54 0.52 -1.19 -2.74 118.95 119.01 1whq s ARG 39 Ca 0.03 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1whq s ARG 39 Cb -0.13 -1.81 0.03 0.00 0.52 0.00 0.00 34.95 33.56 1whq s ARG 39 CO 0.02 0.26 -0.17 0.08 0.02 0.00 0.00 175.30 175.52 1whq s VAL 40 N 0.05 1.92 -0.22 3.52 1.01 -1.26 -2.95 120.40 122.47 1whq s VAL 40 Ca -0.06 -0.96 -0.41 0.00 0.00 0.00 0.00 61.98 60.55 1whq s VAL 40 Cb -0.13 -1.81 -0.17 0.00 0.00 0.00 0.00 36.38 34.27 1whq s VAL 40 CO 0.03 0.42 1.58 1.21 0.00 0.00 0.00 175.10 178.34 1whq n GLU 41 N 4.64 0.85 0.00 2.72 2.13 -1.26 -1.38 120.64 128.33 1whq n GLU 41 Ca -0.19 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1whq n GLU 41 Cb 0.49 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 3.58 2.70 3.96 8.31 0.00 -1.26 -5.04 105.19 117.43 1whq n GLY 42 Ca 0.25 -0.92 -0.24 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 -0.37 3.47 -0.22 1.61 0.08 -0.48 -5.04 117.98 117.03 1whq s PHE 43 Ca 0.00 0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.11 1whq s PHE 43 Cb 0.00 -1.63 -0.20 0.00 -0.57 0.00 0.00 43.02 40.63 1whq s PHE 43 CO 0.00 0.48 -0.06 0.09 -0.10 0.00 0.00 175.22 175.64 1whq n ASN 44 N -0.91 1.99 -4.77 1.36 4.13 -1.26 -4.70 115.26 111.11 1whq n ASN 44 Ca -0.08 -0.04 -0.39 0.00 1.68 0.00 0.00 54.58 55.76 1whq n ASN 44 Cb 0.55 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1whq s TYR 45 N -2.53 3.16 -0.08 3.10 5.04 -1.26 -5.04 117.35 119.74 1whq s TYR 45 Ca -0.31 1.56 -0.00 0.00 -2.44 0.00 0.00 57.07 55.88 1whq s TYR 45 Cb 0.08 -3.40 0.02 0.00 0.35 0.00 0.00 41.96 39.02 1whq s TYR 45 CO 0.65 -1.22 -0.05 0.00 -1.34 0.00 0.00 175.55 173.58 1whq s ALA 46 N -1.35 1.02 -0.29 3.97 0.00 -1.26 -4.71 121.76 119.15 1whq s ALA 46 Ca 0.54 -0.32 -0.39 0.00 0.00 0.00 0.00 51.96 51.78 1whq s ALA 46 Cb -0.32 -0.73 -0.15 0.00 0.00 0.00 0.00 23.12 21.92 1whq s ALA 46 CO 0.40 -0.29 1.84 0.41 0.00 0.00 0.00 175.76 178.12 1whq n GLY 47 N 4.69 0.81 3.41 0.00 0.00 -1.11 -4.70 105.19 108.29 1whq n GLY 47 Ca -0.15 0.94 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 1whq n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whq s MET 48 N 4.08 3.57 0.04 1.61 -1.94 -1.26 -2.20 119.30 123.20 1whq s MET 48 Ca 1.01 -0.52 0.05 0.00 -1.71 0.00 0.00 55.69 54.52 1whq s MET 48 Cb -1.04 -3.24 -0.02 0.00 2.01 0.00 0.00 34.83 32.55 1whq s MET 48 CO 0.63 -0.19 -0.15 0.20 -0.01 0.00 0.00 175.02 175.49 1whq s GLY 49 N 1.58 0.86 -0.02 -0.03 0.00 -0.66 -4.58 107.32 104.46 1whq s GLY 49 Ca 0.06 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1whq s GLY 49 CO 0.02 -0.86 -0.01 0.54 0.00 0.00 0.00 173.10 172.79 1whq s ASN 50 N -1.22 0.35 -0.29 1.64 2.20 -1.26 -0.69 114.94 115.68 1whq s ASN 50 Ca 0.02 -0.03 -0.19 0.00 -0.94 0.00 0.00 52.86 51.72 1whq s ASN 50 Cb -0.08 -0.14 0.13 0.00 -2.00 0.00 0.00 41.25 39.16 1whq s ASN 50 CO 0.01 -0.05 0.96 -0.55 -2.94 0.00 0.00 177.10 174.54 1whq s SER 51 N 0.58 -0.54 0.50 3.54 0.15 -0.73 -4.72 113.70 112.48 1whq s SER 51 Ca -0.06 0.91 0.41 0.00 0.70 0.00 0.00 55.95 57.91 1whq s SER 51 Cb -0.09 1.12 1.60 0.00 -1.71 0.00 0.00 66.02 66.95 1whq s SER 51 CO -0.01 -0.15 1.59 0.74 1.20 0.00 0.00 173.24 176.61 1whq h THR 52 N 4.52 0.03 -2.85 6.45 2.02 -1.82 -2.76 112.91 118.50 1whq h THR 52 Ca -0.28 -0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.30 1whq h THR 52 Cb 1.19 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 1whq h THR 52 CO 0.16 0.00 -0.54 0.20 0.37 0.00 0.00 175.52 175.72 1whq s ASN 53 N -4.14 5.91 -0.01 4.18 0.01 -1.26 -4.12 114.94 115.51 1whq s ASN 53 Ca -0.06 0.07 -0.25 0.00 -0.71 0.00 0.00 52.86 51.90 1whq s ASN 53 Cb 0.29 -1.68 -0.19 0.00 0.41 0.00 0.00 41.25 40.07 1whq s ASN 53 CO 0.86 0.12 1.29 0.11 -1.51 0.00 0.00 177.10 177.97 1whq h LYS 54 N 2.75 -0.04 -0.34 -0.60 1.57 -1.91 -2.59 116.57 115.40 1whq h LYS 54 Ca -0.47 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 1whq h LYS 54 Cb 1.18 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1whq h LYS 54 CO 0.68 0.39 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.35 1whq h LYS 55 N -0.48 -0.21 -0.13 3.15 3.11 -1.96 0.12 116.57 120.18 1whq h LYS 55 Ca -0.00 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1whq h LYS 55 Cb 0.45 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.66 1whq h LYS 55 CO 0.01 -0.14 -0.29 -0.44 -2.81 0.00 0.00 179.45 175.78 1whq h ASP 56 N -0.21 -0.91 -1.07 4.20 5.19 -1.93 0.03 116.42 121.73 1whq h ASP 56 Ca 0.06 0.14 0.29 0.00 -0.62 0.00 0.00 57.03 56.89 1whq h ASP 56 Cb 0.37 0.39 -0.09 0.00 0.18 0.00 0.00 39.33 40.18 1whq h ASP 56 CO -0.44 -0.34 0.70 0.00 -3.12 0.00 0.00 179.24 176.05 1whq h ALA 57 N 0.50 2.37 -0.08 3.45 0.00 -0.93 0.33 119.26 124.91 1whq h ALA 57 Ca 0.10 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1whq h ALA 57 Cb 0.52 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1whq h ALA 57 CO -0.34 -0.78 -0.87 1.96 0.00 0.00 0.00 179.25 179.22 1whq h GLN 58 N 0.32 0.66 0.00 0.00 4.20 0.10 -2.55 115.11 117.85 1whq h GLN 58 Ca 0.60 -0.61 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1whq h GLN 58 Cb 1.66 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 1whq h GLN 58 CO -0.27 1.22 -0.38 0.66 -0.67 0.00 0.00 178.83 179.39 1whq h SER 59 N 0.42 0.00 -0.01 1.46 4.64 0.10 -2.93 113.55 117.24 1whq h SER 59 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1whq h SER 59 Cb 1.50 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1whq h SER 59 CO 0.17 0.38 -0.32 0.78 -0.87 0.00 0.00 176.83 176.98 1whq h ASN 60 N 0.00 0.29 -0.75 4.97 2.35 -0.82 -2.89 115.58 118.73 1whq h ASN 60 Ca -0.00 -0.76 0.11 0.00 -0.55 0.00 0.00 56.30 55.09 1whq h ASN 60 Cb 0.75 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.95 1whq h ASN 60 CO 0.05 1.01 0.37 0.00 -1.65 0.00 0.00 177.43 177.21 1whq h ALA 61 N 0.28 1.06 -0.08 -0.83 0.00 -1.40 0.22 119.26 118.51 1whq h ALA 61 Ca -0.04 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1whq h ALA 61 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1whq h ALA 61 CO 0.06 -0.07 -0.33 0.00 0.00 0.00 0.00 179.25 178.91 1whq h ALA 62 N 1.47 1.29 -0.02 0.00 0.00 -1.59 -2.85 119.26 117.57 1whq h ALA 62 Ca 0.38 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1whq h ALA 62 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1whq h ALA 62 CO -0.31 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 1whq h ARG 63 N 0.14 0.16 0.10 0.00 2.47 -0.79 -3.16 114.38 113.30 1whq h ARG 63 Ca 0.02 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1whq h ARG 63 Cb 0.66 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.96 1whq h ARG 63 CO 0.05 0.83 -0.48 0.22 0.56 0.00 0.00 179.97 181.15 1whq h ASP 64 N -0.45 -1.44 -0.52 7.04 1.82 -0.60 -2.40 116.42 119.86 1whq h ASP 64 Ca -0.02 0.16 0.08 0.00 -0.39 0.00 0.00 57.03 56.86 1whq h ASP 64 Cb 0.87 0.54 -0.10 0.00 0.68 0.00 0.00 39.33 41.32 1whq h ASP 64 CO 0.04 -0.52 -0.46 0.15 -1.61 0.00 0.00 179.24 176.83 1whq h PHE 65 N -0.70 -1.37 -0.76 0.28 3.57 -1.63 -0.96 116.94 115.38 1whq h PHE 65 Ca 0.01 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1whq h PHE 65 Cb 0.72 0.67 -0.13 0.00 2.79 0.00 0.00 35.95 40.00 1whq h PHE 65 CO -0.43 -0.44 -0.34 0.28 -2.23 0.00 0.00 178.31 175.15 1whq h VAL 66 N -0.27 0.11 -1.03 1.41 2.07 -1.43 0.60 116.25 117.71 1whq h VAL 66 Ca 0.15 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.93 1whq h VAL 66 Cb 0.57 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.34 1whq h VAL 66 CO -0.65 0.00 0.64 0.78 0.02 0.00 0.00 177.57 178.35 1whq h ASN 67 N -0.09 0.56 0.04 0.57 2.35 -0.69 0.19 115.58 118.51 1whq h ASN 67 Ca 0.29 0.11 -0.23 0.00 -0.55 0.00 0.00 56.30 55.91 1whq h ASN 67 Cb 0.57 0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.97 1whq h ASN 67 CO -0.81 0.10 -0.88 0.22 -1.65 0.00 0.00 177.43 174.41 1whq h TYR 68 N 0.49 0.91 -0.99 1.19 3.20 0.42 -3.04 116.97 119.15 1whq h TYR 68 Ca 0.62 -0.45 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1whq h TYR 68 Cb 1.37 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 1whq h TYR 68 CO -0.00 1.27 0.64 -0.07 -1.64 0.00 0.00 178.16 178.35 1whq h LEU 69 N 0.41 1.02 -0.51 2.82 3.38 0.13 -1.48 115.31 121.08 1whq h LEU 69 Ca -0.08 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1whq h LEU 69 Cb 1.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1whq h LEU 69 CO 0.17 0.65 -0.19 0.58 0.09 0.00 0.00 178.44 179.74 1whq h VAL 70 N 1.16 1.27 -0.24 1.22 2.07 -1.33 0.17 116.25 120.56 1whq h VAL 70 Ca 0.43 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1whq h VAL 70 Cb 0.17 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1whq h VAL 70 CO -0.18 0.47 0.15 0.03 0.02 0.00 0.00 177.57 178.06 1whq h ARG 71 N 0.88 0.33 0.00 1.57 2.47 -1.23 -1.19 114.38 117.21 1whq h ARG 71 Ca 0.12 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1whq h ARG 71 Cb 0.77 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1whq h ARG 71 CO 0.06 0.27 0.00 0.44 0.56 0.00 0.00 179.97 181.30 1whq n ILE 72 N -4.88 0.38 -2.95 2.04 -5.35 -0.63 -4.86 119.36 103.10 1whq n ILE 72 Ca -0.03 0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.44 1whq n ILE 72 Cb 0.05 -0.82 0.04 0.00 -1.74 0.00 0.00 39.64 37.18 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 -1.21 -3.49 -0.01 7.28 5.15 -0.45 -4.94 115.26 117.58 1whq n ASN 73 Ca 0.09 -0.29 0.02 0.00 -0.60 0.00 0.00 54.58 53.80 1whq n ASN 73 Cb 0.12 -2.85 -0.06 0.00 -0.53 0.00 0.00 39.78 36.46 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 -2.75 1.01 -4.21 1.20 -0.58 0.58 -4.99 120.64 110.90 1whq n GLU 74 Ca -0.05 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.43 1whq n GLU 74 Cb 0.55 -1.19 -0.16 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.44 0.66 0.05 2.62 1.01 -1.01 -4.96 120.40 116.32 1whq s VAL 75 Ca -0.03 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1whq s VAL 75 Cb 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1whq s VAL 75 CO 0.32 0.26 0.81 -0.54 0.00 0.00 0.00 175.10 175.95 1whq s LYS 76 N 0.96 4.53 0.64 2.72 -0.14 -1.26 -3.95 119.74 123.24 1whq s LYS 76 Ca -0.10 1.14 0.35 0.00 -1.36 0.00 0.00 55.97 56.00 1whq s LYS 76 Cb -0.14 -3.37 1.96 0.00 -1.68 0.00 0.00 37.83 34.59 1whq s LYS 76 CO 0.00 0.25 2.17 0.66 -0.76 0.00 0.00 175.35 177.67 1whq h SER 77 N 5.74 0.00 -0.17 2.83 4.64 -1.96 -0.58 113.55 124.05 1whq h SER 77 Ca -0.43 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1whq h SER 77 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1whq h SER 77 CO 0.71 0.00 0.14 -0.33 -0.87 0.00 0.00 176.83 176.49 1whq h GLU 78 N 0.00 0.00 0.06 4.77 4.39 -1.99 -2.13 114.58 119.68 1whq h GLU 78 Ca 0.03 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.38 1whq h GLU 78 Cb 0.32 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1whq h GLU 78 CO -0.00 0.00 -2.03 0.39 -1.16 0.00 0.00 179.01 176.21 1whq n GLU 79 N -4.15 0.70 -1.87 2.33 -0.58 -0.23 -4.93 120.64 111.91 1whq n GLU 79 Ca 0.01 0.23 -0.41 0.00 -0.42 0.00 0.00 57.16 56.57 1whq n GLU 79 Cb 0.27 -1.68 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 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 -2.56 2.22 1.02 2.62 1.01 -0.80 -5.00 120.40 118.90 1whq s VAL 80 Ca -0.18 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1whq s VAL 80 Cb 0.07 -3.13 0.25 0.00 0.00 0.00 0.00 36.38 33.57 1whq s VAL 80 CO 0.77 0.05 0.90 -0.81 0.00 0.00 0.00 175.10 176.01 1whq n PRO 81 N 0.99 -2.79 -1.09 2.72 -0.04 -1.26 -4.94 135.00 128.59 1whq n PRO 81 Ca 0.03 -1.45 -0.32 0.00 -0.04 0.00 0.00 63.50 61.72 1whq n PRO 81 Cb 0.39 -1.36 0.12 0.00 -0.04 0.00 0.00 33.50 32.62 1whq n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whq s ALA 82 N -3.01 1.86 -0.41 0.55 0.00 -1.26 -4.98 121.76 114.51 1whq s ALA 82 Ca 0.59 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1whq s ALA 82 Cb -0.06 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1whq s ALA 82 CO 0.45 -2.24 0.36 0.54 0.00 0.00 0.00 175.76 174.88 1whq s VAL 83 N -2.43 5.18 -0.03 0.00 0.11 -1.26 -4.88 120.40 117.09 1whq s VAL 83 Ca 0.69 -0.50 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 1whq s VAL 83 Cb -0.24 -3.98 -0.10 0.00 -1.53 0.00 0.00 36.38 30.53 1whq s VAL 83 CO 0.52 -0.36 0.10 0.61 -3.33 0.00 0.00 175.10 172.65 1whq n GLY 84 N 5.13 -0.32 3.55 6.54 0.00 -1.26 -4.98 105.19 113.85 1whq n GLY 84 Ca -0.09 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.36 4.40 -0.23 -0.61 1.01 -1.26 -5.09 121.20 117.06 1whq s ILE 85 Ca -0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1whq s ILE 85 Cb 0.04 -2.98 0.06 0.00 0.01 0.00 0.00 42.46 39.59 1whq s ILE 85 CO 0.28 0.45 0.62 0.54 0.00 0.00 0.00 174.94 176.83 1whq s VAL 86 N 0.62 -0.00 0.47 2.92 0.11 -1.26 -5.11 120.40 118.15 1whq s VAL 86 Ca 0.01 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.84 1whq s VAL 86 Cb -0.13 -0.87 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1whq s VAL 86 CO 0.02 0.00 1.16 -2.16 -3.33 0.00 0.00 175.10 170.79 1whq s PRO 87 N 0.48 3.69 0.63 1.54 0.04 -1.26 -5.02 135.00 135.11 1whq s PRO 87 Ca -0.01 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1whq s PRO 87 Cb -0.05 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1whq s PRO 87 CO -0.01 -0.60 1.11 -1.25 0.04 0.00 0.00 177.00 176.29 1whq s PRO 88 N -2.79 2.94 -0.08 0.56 0.04 -1.26 -4.97 135.00 129.44 1whq s PRO 88 Ca 0.65 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1whq s PRO 88 Cb -0.28 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1whq s PRO 88 CO 0.33 -1.15 1.51 -1.25 0.04 0.00 0.00 177.00 176.49 1whq s PRO 89 N -3.90 4.21 -1.01 0.56 0.04 -1.26 -2.97 135.00 130.66 1whq s PRO 89 Ca 0.68 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.68 1whq s PRO 89 Cb -0.21 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.45 1whq s PRO 89 CO 0.38 -0.78 0.88 0.45 0.04 0.00 0.00 177.00 177.97 1whq n SER 90 N 6.81 -4.58 -0.53 6.66 2.88 -1.26 -5.02 113.62 118.57 1whq n SER 90 Ca 0.16 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1whq n SER 90 Cb 0.43 -4.00 0.00 0.00 -0.75 0.00 0.00 64.21 59.89 1whq n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whq n GLY 91 N -1.53 3.95 3.55 0.46 0.00 -1.16 -5.02 105.19 105.44 1whq n GLY 91 Ca -0.05 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 1.08 2.61 1.06 1.61 0.04 -1.26 -4.98 135.00 135.16 1whq s PRO 92 Ca 0.00 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.40 1whq s PRO 92 Cb 0.00 -4.48 0.22 0.00 0.04 0.00 0.00 34.50 30.28 1whq s PRO 92 CO 0.00 -2.82 1.07 0.45 0.04 0.00 0.00 177.00 175.74 1whq s SER 93 N 8.10 2.01 0.00 6.66 0.15 -1.26 -5.01 113.70 124.35 1whq s SER 93 Ca 0.68 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1whq s SER 93 Cb -0.12 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1whq s SER 93 CO 0.18 -3.53 0.00 -1.54 1.20 0.00 0.00 173.24 169.55 1whq n SER 94 N -4.45 2.32 0.00 5.45 3.41 -1.26 -5.26 113.62 113.84 1whq n SER 94 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1whq n SER 94 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49