#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 -0.88 -0.16 1.61 0.15 -1.26 -5.15 113.70 108.02 1whq s SER -2 Ca 0.00 1.44 -0.16 0.00 0.70 0.00 0.00 55.95 57.93 1whq s SER -2 Cb 0.00 1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 1whq s SER -2 CO 0.00 -0.23 0.38 -0.94 1.20 0.00 0.00 173.24 173.65 1whq s SER -1 N 1.42 6.51 -0.41 5.45 1.04 -1.26 -5.02 113.70 121.44 1whq s SER -1 Ca -0.08 0.60 0.06 0.00 0.48 0.00 0.00 55.95 57.01 1whq s SER -1 Cb -0.05 -2.23 0.22 0.00 0.10 0.00 0.00 66.02 64.06 1whq s SER -1 CO -0.17 0.02 0.50 0.61 0.98 0.00 0.00 173.24 175.18 1whq n GLY 0 N 3.49 2.17 3.54 7.32 0.00 -1.26 -4.93 105.19 115.52 1whq n GLY 0 Ca -0.09 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1whq n GLY 0 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whq n SER 1 N 2.04 -4.27 -4.47 1.61 2.88 -1.26 -4.91 113.62 105.24 1whq n SER 1 Ca 0.23 -0.59 -0.44 0.00 -1.33 0.00 0.00 58.87 56.75 1whq n SER 1 Cb 0.52 -5.02 -0.02 0.00 -0.75 0.00 0.00 64.21 58.94 1whq n SER 1 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whq s SER 2 N -3.81 6.74 0.00 -3.46 1.04 -1.26 -4.18 113.70 108.77 1whq s SER 2 Ca 0.31 -2.25 0.00 0.00 0.48 0.00 0.00 55.95 54.49 1whq s SER 2 Cb -0.14 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1whq s SER 2 CO 0.74 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1whq n GLY 3 N 5.28 -1.75 0.02 7.32 0.00 -1.26 -5.03 105.19 109.77 1whq n GLY 3 Ca 0.29 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 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 -1.42 0.30 -0.25 -0.61 0.13 -1.26 -4.62 119.36 111.63 1whq n ILE 4 Ca 0.00 -0.14 0.17 0.00 -1.10 0.00 0.00 62.75 61.68 1whq n ILE 4 Cb 0.00 -0.77 0.48 0.00 -0.84 0.00 0.00 39.64 38.51 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 0.00 0.46 0.00 9.51 3.11 -1.92 0.49 116.57 128.22 1whq h LYS 5 Ca -0.12 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1whq h LYS 5 Cb 1.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1whq h LYS 5 CO -0.01 0.30 -0.21 -0.97 -2.81 0.00 0.00 179.45 175.76 1whq h ASN 6 N 0.47 0.00 0.13 4.20 -0.73 -1.83 -1.90 115.58 115.93 1whq h ASN 6 Ca 0.47 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.63 1whq h ASN 6 Cb 1.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.66 1whq h ASN 6 CO -0.19 0.21 -0.06 0.15 -0.37 0.00 0.00 177.43 177.16 1whq h PHE 7 N 0.00 -0.17 -0.36 0.67 3.04 -0.30 -2.80 116.94 117.02 1whq h PHE 7 Ca -0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.99 1whq h PHE 7 Cb 0.60 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 1whq h PHE 7 CO 0.00 0.07 0.11 1.25 -2.02 0.00 0.00 178.31 177.71 1whq h LEU 8 N -1.02 0.09 -1.10 0.59 5.85 -1.44 0.13 115.31 118.42 1whq h LEU 8 Ca -0.02 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1whq h LEU 8 Cb 0.31 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1whq h LEU 8 CO 0.03 0.09 0.61 0.22 -0.34 0.00 0.00 178.44 179.05 1whq h TYR 9 N 0.25 1.10 0.04 1.25 3.20 -1.49 0.21 116.97 121.53 1whq h TYR 9 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1whq h TYR 9 Cb 0.16 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1whq h TYR 9 CO -0.16 0.57 -0.02 0.00 -1.64 0.00 0.00 178.16 176.91 1whq h ALA 10 N 1.49 -0.05 -0.48 1.82 0.00 -1.05 -0.55 119.26 120.44 1whq h ALA 10 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1whq h ALA 10 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1whq h ALA 10 CO -0.16 -0.26 0.30 2.35 0.00 0.00 0.00 179.25 181.48 1whq h TRP 11 N -0.58 0.61 -0.06 0.00 7.01 -0.45 -2.38 115.95 120.10 1whq h TRP 11 Ca -0.01 0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.76 1whq h TRP 11 Cb 0.53 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1whq h TRP 11 CO 0.10 0.40 -0.92 0.00 -2.79 0.00 0.00 178.44 175.23 1whq h GLY 13 N 0.55 1.19 1.21 0.00 0.00 -0.55 0.17 103.07 105.66 1whq h GLY 13 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1whq h GLY 13 CO 0.18 -0.26 0.14 0.07 0.00 0.00 0.00 176.54 176.67 1whq h LYS 14 N 0.27 0.98 -0.39 4.80 2.10 -1.60 -1.71 116.57 121.01 1whq h LYS 14 Ca 0.48 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1whq h LYS 14 Cb 0.88 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1whq h LYS 14 CO -0.56 0.88 0.00 0.54 -2.00 0.00 0.00 179.45 178.30 1whq n ARG 15 N -4.24 1.26 -3.94 0.07 1.74 0.52 -4.87 116.66 107.19 1whq n ARG 15 Ca 0.04 -0.29 -0.28 0.00 -0.77 0.00 0.00 57.85 56.56 1whq n ARG 15 Cb 0.25 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.16 -4.15 -4.31 5.56 5.02 -0.64 -4.97 118.16 114.51 1whq n LYS 16 Ca 0.03 0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 56.63 1whq n LYS 16 Cb 0.17 -5.01 -0.10 0.00 -0.02 0.00 0.00 35.03 30.07 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 -6.52 1.23 -0.16 1.97 -1.94 -0.66 -5.02 119.30 108.20 1whq s MET 17 Ca 0.30 -1.51 -0.04 0.00 -1.71 0.00 0.00 55.69 52.73 1whq s MET 17 Cb -0.16 -0.99 0.07 0.00 2.01 0.00 0.00 34.83 35.76 1whq s MET 17 CO 0.87 0.16 0.15 0.99 -0.01 0.00 0.00 175.02 177.18 1whq s THR 18 N -2.92 -0.20 0.27 2.05 2.01 -1.26 -3.96 115.64 111.62 1whq s THR 18 Ca 0.19 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1whq s THR 18 Cb -0.01 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.87 1whq s THR 18 CO 0.05 -0.15 1.26 -2.16 -0.69 0.00 0.00 174.62 172.92 1whq s PRO 19 N 2.23 4.44 -0.23 4.92 0.04 -1.26 -4.92 135.00 140.22 1whq s PRO 19 Ca 0.04 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1whq s PRO 19 Cb -0.15 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1whq s PRO 19 CO -0.09 -0.12 0.11 0.00 0.04 0.00 0.00 177.00 176.94 1whq s ALA 20 N -0.66 3.44 -0.16 8.56 0.00 -1.22 -4.98 121.76 126.74 1whq s ALA 20 Ca 0.51 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1whq s ALA 20 Cb -0.37 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1whq s ALA 20 CO 0.44 -0.16 0.11 0.71 0.00 0.00 0.00 175.76 176.86 1whq s TYR 21 N 1.00 3.41 -0.12 0.00 1.51 -1.26 -3.34 117.35 118.54 1whq s TYR 21 Ca 0.06 0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1whq s TYR 21 Cb -0.14 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1whq s TYR 21 CO 0.03 0.40 0.00 -2.00 -1.11 0.00 0.00 175.55 172.88 1whq s GLU 22 N -0.14 0.76 -0.16 -0.62 2.12 -1.18 -4.99 118.70 114.50 1whq s GLU 22 Ca 0.09 -0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.20 1whq s GLU 22 Cb -0.12 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 1whq s GLU 22 CO 0.01 -0.42 0.10 0.42 -0.54 0.00 0.00 175.26 174.82 1whq s ILE 23 N 1.89 5.15 0.27 -3.70 1.01 -1.26 -2.19 121.20 122.36 1whq s ILE 23 Ca 0.03 0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.88 1whq s ILE 23 Cb -0.14 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1whq s ILE 23 CO -0.07 0.51 -0.16 -0.13 0.00 0.00 0.00 174.94 175.09 1whq s ARG 24 N -0.12 1.80 -0.30 2.79 0.52 -0.38 -4.93 118.95 118.32 1whq s ARG 24 Ca 0.09 -1.66 -0.10 0.00 -0.52 0.00 0.00 55.73 53.54 1whq s ARG 24 Cb -0.12 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1whq s ARG 24 CO 0.01 0.35 0.16 0.00 0.02 0.00 0.00 175.30 175.83 1whq s ALA 25 N -2.36 3.32 0.26 2.13 0.00 -1.26 -1.82 121.76 122.03 1whq s ALA 25 Ca 0.29 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1whq s ALA 25 Cb -0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 1whq s ALA 25 CO 0.15 -0.80 0.10 0.14 0.00 0.00 0.00 175.76 175.36 1whq s VAL 26 N 1.65 0.53 0.00 0.00 -7.23 0.41 -5.01 120.40 110.76 1whq s VAL 26 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1whq s VAL 26 Cb -0.17 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.15 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 -0.48 0.30 3.74 2.32 0.00 -1.26 -0.83 105.19 108.99 1whq n GLY 27 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.54 4.63 0.48 1.61 0.01 -1.21 -4.77 114.94 114.15 1whq s ASN 28 Ca 0.00 2.24 0.27 0.00 -0.71 0.00 0.00 52.86 54.66 1whq s ASN 28 Cb 0.00 -2.58 1.33 0.00 0.41 0.00 0.00 41.25 40.41 1whq s ASN 28 CO 0.00 -1.96 1.82 0.07 -1.51 0.00 0.00 177.10 175.52 1whq h LYS 29 N -0.03 0.18 -0.00 -0.60 5.09 -2.01 -0.28 116.57 118.92 1whq h LYS 29 Ca -0.48 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.25 1whq h LYS 29 Cb 1.28 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 33.57 1whq h LYS 29 CO 0.52 0.12 -0.00 -0.91 -2.09 0.00 0.00 179.45 177.09 1whq h ASN 30 N 0.18 0.00 -3.82 7.07 2.35 -2.01 -3.38 115.58 115.98 1whq h ASN 30 Ca 0.53 -0.54 -0.75 0.00 -0.55 0.00 0.00 56.30 54.98 1whq h ASN 30 Cb 1.73 -0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.80 1whq h ASN 30 CO -0.13 0.54 -0.01 -0.13 -1.65 0.00 0.00 177.43 176.06 1whq s ARG 31 N -4.03 3.35 0.23 0.81 0.52 -0.12 -5.05 118.95 114.66 1whq s ARG 31 Ca -0.16 -2.73 -0.30 0.00 -0.52 0.00 0.00 55.73 52.02 1whq s ARG 31 Cb 0.01 -4.18 -0.10 0.00 0.52 0.00 0.00 34.95 31.20 1whq s ARG 31 CO 0.68 -1.25 1.43 -1.14 0.02 0.00 0.00 175.30 175.05 1whq s GLN 32 N -0.36 4.28 0.01 3.54 2.00 -1.20 -3.32 119.66 124.61 1whq s GLN 32 Ca 0.21 2.27 -0.01 0.00 -2.00 0.00 0.00 55.36 55.83 1whq s GLN 32 Cb -0.13 -3.13 -0.01 0.00 0.80 0.00 0.00 33.01 30.54 1whq s GLN 32 CO -0.08 -0.42 -0.00 0.15 -0.50 0.00 0.00 175.29 174.44 1whq s LYS 33 N -0.16 0.27 0.06 1.67 -0.14 -0.01 -4.40 119.74 117.03 1whq s LYS 33 Ca 0.60 -0.45 0.08 0.00 -1.36 0.00 0.00 55.97 54.84 1whq s LYS 33 Cb -0.41 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 35.81 1whq s LYS 33 CO 0.41 -0.05 -0.22 -0.06 -0.76 0.00 0.00 175.35 174.68 1whq s PHE 34 N -1.14 1.92 -0.19 3.18 0.08 -1.20 -0.44 117.98 120.18 1whq s PHE 34 Ca -0.12 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1whq s PHE 34 Cb -0.08 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1whq s PHE 34 CO -0.01 0.13 -0.07 -1.64 -0.10 0.00 0.00 175.22 173.53 1whq s MET 35 N -1.36 1.73 0.01 0.44 -1.94 -0.76 -0.24 119.30 117.17 1whq s MET 35 Ca 0.08 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1whq s MET 35 Cb -0.09 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 1whq s MET 35 CO 0.02 -0.46 0.15 0.00 -0.01 0.00 0.00 175.02 174.73 1whq s GLU 37 N -1.99 -0.01 -0.19 0.00 8.01 -0.93 -1.95 118.70 121.63 1whq s GLU 37 Ca 0.27 0.48 -0.06 0.00 0.01 0.00 0.00 54.97 55.67 1whq s GLU 37 Cb -0.12 -0.37 -0.03 0.00 -4.31 0.00 0.00 34.13 29.30 1whq s GLU 37 CO 0.19 -0.31 0.02 0.54 0.01 0.00 0.00 175.26 175.71 1whq s VAL 38 N 2.21 4.28 -0.07 2.63 0.11 -0.74 -3.07 120.40 125.75 1whq s VAL 38 Ca 0.04 -0.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1whq s VAL 38 Cb -0.12 -2.93 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1whq s VAL 38 CO -0.05 0.44 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.81 1whq s ARG 39 N 0.72 2.57 -0.09 1.54 0.52 -1.21 -1.14 118.95 121.85 1whq s ARG 39 Ca 0.01 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1whq s ARG 39 Cb -0.14 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.26 1whq s ARG 39 CO 0.02 0.26 -0.19 0.08 0.02 0.00 0.00 175.30 175.50 1whq s VAL 40 N 0.11 1.68 0.73 3.52 1.01 -1.26 -3.38 120.40 122.80 1whq s VAL 40 Ca -0.10 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1whq s VAL 40 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1whq s VAL 40 CO 0.05 0.48 0.48 1.21 0.00 0.00 0.00 175.10 177.32 1whq n GLU 41 N 3.77 0.25 0.00 2.72 0.00 -1.26 -2.22 120.64 123.90 1whq n GLU 41 Ca -0.20 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1whq n GLU 41 Cb 0.52 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1whq n GLU 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1whq n GLY 42 N 1.69 1.52 3.88 8.31 0.00 -1.26 -4.95 105.19 114.38 1whq n GLY 42 Ca 0.10 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.24 3.59 0.04 1.61 0.08 -0.94 -5.00 117.98 117.11 1whq s PHE 43 Ca 0.00 0.50 0.05 0.00 0.12 0.00 0.00 56.93 57.60 1whq s PHE 43 Cb 0.00 -1.92 -0.24 0.00 -0.57 0.00 0.00 43.02 40.29 1whq s PHE 43 CO 0.00 0.72 0.98 -0.91 -0.10 0.00 0.00 175.22 175.92 1whq h ASN 44 N 4.81 0.13 -3.97 1.36 2.35 -1.93 -3.42 115.58 114.91 1whq h ASN 44 Ca -0.54 -0.18 -0.48 0.00 -0.55 0.00 0.00 56.30 54.55 1whq h ASN 44 Cb 1.22 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 39.57 1whq h ASN 44 CO 0.60 1.15 0.41 -0.47 -1.65 0.00 0.00 177.43 177.47 1whq s TYR 45 N -2.65 3.22 -0.07 1.19 5.04 -1.26 -5.02 117.35 117.79 1whq s TYR 45 Ca -0.04 1.63 -0.01 0.00 -2.44 0.00 0.00 57.07 56.21 1whq s TYR 45 Cb 0.08 -3.14 0.03 0.00 0.35 0.00 0.00 41.96 39.28 1whq s TYR 45 CO 0.83 -0.71 -0.01 0.00 -1.34 0.00 0.00 175.55 174.32 1whq s ALA 46 N -1.68 0.79 0.09 3.97 0.00 -1.26 -4.52 121.76 119.14 1whq s ALA 46 Ca 0.59 -0.18 -0.35 0.00 0.00 0.00 0.00 51.96 52.02 1whq s ALA 46 Cb -0.22 -0.73 -0.18 0.00 0.00 0.00 0.00 23.12 21.99 1whq s ALA 46 CO 0.27 -0.40 0.93 0.41 0.00 0.00 0.00 175.76 176.97 1whq n GLY 47 N 4.98 -0.65 3.25 0.00 0.00 -0.29 -4.66 105.19 107.82 1whq n GLY 47 Ca -0.10 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.33 3.13 -0.12 1.61 0.23 -1.25 -1.79 119.30 120.77 1whq s MET 48 Ca 0.80 -0.83 -0.08 0.00 -1.03 0.00 0.00 55.69 54.55 1whq s MET 48 Cb -1.10 -2.39 0.04 0.00 -1.53 0.00 0.00 34.83 29.86 1whq s MET 48 CO 0.56 0.18 0.30 0.20 -2.03 0.00 0.00 175.02 174.22 1whq s GLY 49 N 0.37 -0.21 -0.09 3.16 0.00 -0.83 -4.05 107.32 105.68 1whq s GLY 49 Ca -0.16 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1whq s GLY 49 CO 0.08 1.20 -0.08 -1.31 0.00 0.00 0.00 173.10 172.99 1whq s ASN 50 N 0.98 1.86 -0.29 1.64 0.01 -1.26 0.24 114.94 118.10 1whq s ASN 50 Ca -0.07 -0.26 -0.16 0.00 -0.71 0.00 0.00 52.86 51.67 1whq s ASN 50 Cb -0.08 -0.74 0.17 0.00 0.41 0.00 0.00 41.25 41.01 1whq s ASN 50 CO -0.07 -0.08 1.06 -0.55 -1.51 0.00 0.00 177.10 175.95 1whq s SER 51 N 1.37 -0.38 0.65 -1.22 0.15 0.66 -4.87 113.70 110.07 1whq s SER 51 Ca -0.02 0.60 0.18 0.00 0.70 0.00 0.00 55.95 57.41 1whq s SER 51 Cb -0.14 1.19 0.93 0.00 -1.71 0.00 0.00 66.02 66.30 1whq s SER 51 CO -0.04 -0.09 1.52 0.00 1.20 0.00 0.00 173.24 175.82 1whq h THR 52 N 5.04 0.03 -3.31 6.45 1.03 -1.77 -3.18 112.91 117.21 1whq h THR 52 Ca -0.26 0.00 -0.59 0.00 -0.01 0.00 0.00 66.41 65.55 1whq h THR 52 Cb 1.18 0.36 -0.10 0.00 -1.07 0.00 0.00 68.15 68.51 1whq h THR 52 CO 0.20 0.00 -0.30 0.20 -0.01 0.00 0.00 175.52 175.61 1whq s ASN 53 N -3.87 6.46 0.07 0.00 0.01 -1.26 -4.52 114.94 111.84 1whq s ASN 53 Ca -0.02 0.54 -0.20 0.00 -0.71 0.00 0.00 52.86 52.47 1whq s ASN 53 Cb 0.06 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 1whq s ASN 53 CO 0.20 0.08 1.54 0.11 -1.51 0.00 0.00 177.10 177.53 1whq h LYS 54 N 6.72 0.30 -0.08 -0.60 1.57 -1.98 -0.42 116.57 122.09 1whq h LYS 54 Ca -0.41 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.33 1whq h LYS 54 Cb 1.17 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1whq h LYS 54 CO 0.76 0.46 -0.35 0.87 -0.57 0.00 0.00 179.45 180.62 1whq h LYS 55 N 0.10 -0.44 0.44 3.15 6.56 -1.94 -1.42 116.57 123.02 1whq h LYS 55 Ca 0.06 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 1whq h LYS 55 Cb 0.31 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1whq h LYS 55 CO 0.00 -0.29 -0.21 0.22 -2.06 0.00 0.00 179.45 177.11 1whq h ASP 56 N -0.45 -0.50 -0.98 0.86 3.58 -1.92 -2.52 116.42 114.48 1whq h ASP 56 Ca 0.08 -0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.65 1whq h ASP 56 Cb 0.58 0.13 -0.16 0.00 1.72 0.00 0.00 39.33 41.60 1whq h ASP 56 CO -0.33 -0.30 -0.40 0.00 -2.88 0.00 0.00 179.24 175.33 1whq h ALA 57 N -0.15 0.11 0.04 -0.78 0.00 -0.83 0.21 119.26 117.86 1whq h ALA 57 Ca -0.06 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1whq h ALA 57 Cb 0.50 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1whq h ALA 57 CO 0.10 -0.65 -0.13 1.96 0.00 0.00 0.00 179.25 180.53 1whq h GLN 58 N -0.01 -0.23 -0.65 0.00 4.20 -1.19 -0.94 115.11 116.29 1whq h GLN 58 Ca 0.33 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.17 1whq h GLN 58 Cb 0.58 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 1whq h GLN 58 CO -0.98 -0.15 0.21 1.03 -0.67 0.00 0.00 178.83 178.27 1whq h SER 59 N -0.24 0.16 -0.28 1.46 0.87 -0.31 -0.51 113.55 114.70 1whq h SER 59 Ca 0.03 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1whq h SER 59 Cb 0.27 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1whq h SER 59 CO -0.10 0.08 0.16 0.78 -0.53 0.00 0.00 176.83 177.21 1whq h ASN 60 N 0.36 0.35 0.61 6.23 2.35 -0.30 -0.13 115.58 125.05 1whq h ASN 60 Ca 0.34 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1whq h ASN 60 Cb 0.49 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1whq h ASN 60 CO -0.37 0.32 -0.45 0.00 -1.65 0.00 0.00 177.43 175.28 1whq h ALA 61 N 1.04 -1.09 0.48 -0.83 0.00 -0.19 0.12 119.26 118.79 1whq h ALA 61 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1whq h ALA 61 Cb 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1whq h ALA 61 CO -0.02 -1.14 -0.48 0.00 0.00 0.00 0.00 179.25 177.62 1whq h ALA 62 N -0.82 -1.08 -0.67 0.00 0.00 -1.10 -2.05 119.26 113.53 1whq h ALA 62 Ca -0.07 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.80 1whq h ALA 62 Cb 0.85 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 1whq h ALA 62 CO 0.02 -1.14 0.04 -0.09 0.00 0.00 0.00 179.25 178.08 1whq h ARG 63 N -0.97 0.14 -0.88 0.00 1.12 -1.00 0.15 114.38 112.94 1whq h ARG 63 Ca -0.06 -0.01 0.13 0.00 -1.11 0.00 0.00 59.98 58.94 1whq h ARG 63 Cb 0.84 -0.03 -0.09 0.00 -0.01 0.00 0.00 29.97 30.69 1whq h ARG 63 CO -0.06 0.09 0.50 -0.44 -3.11 0.00 0.00 179.97 176.95 1whq h ASP 64 N 0.15 0.66 -0.13 -3.80 5.19 -0.39 -1.94 116.42 116.16 1whq h ASP 64 Ca 0.36 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.81 1whq h ASP 64 Cb 0.61 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 1whq h ASP 64 CO -0.55 0.32 -0.06 0.15 -3.12 0.00 0.00 179.24 175.97 1whq h PHE 65 N 0.75 0.32 -1.11 4.55 3.57 -0.07 -3.04 116.94 121.90 1whq h PHE 65 Ca 0.46 -0.08 0.31 0.00 3.53 0.00 0.00 57.97 62.19 1whq h PHE 65 Cb 0.56 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.12 1whq h PHE 65 CO -0.06 0.61 0.72 0.28 -2.23 0.00 0.00 178.31 177.63 1whq h VAL 66 N -0.07 0.41 -0.22 1.41 2.07 -0.33 0.19 116.25 119.71 1whq h VAL 66 Ca 0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1whq h VAL 66 Cb 0.53 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1whq h VAL 66 CO 0.02 0.05 0.07 0.78 0.02 0.00 0.00 177.57 178.51 1whq h ASN 67 N 0.30 0.32 -0.76 0.57 2.35 -1.35 -2.76 115.58 114.25 1whq h ASN 67 Ca 0.65 -0.20 0.08 0.00 -0.55 0.00 0.00 56.30 56.28 1whq h ASN 67 Cb 1.81 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 40.04 1whq h ASN 67 CO -0.32 0.44 0.50 0.22 -1.65 0.00 0.00 177.43 176.62 1whq h TYR 68 N 0.19 0.78 -0.44 1.19 3.20 -0.67 -1.77 116.97 119.46 1whq h TYR 68 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1whq h TYR 68 Cb 0.23 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1whq h TYR 68 CO 0.00 0.40 0.26 -0.07 -1.64 0.00 0.00 178.16 177.11 1whq h LEU 69 N 0.76 0.54 -0.92 2.82 3.38 -1.16 -2.24 115.31 118.49 1whq h LEU 69 Ca 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1whq h LEU 69 Cb 0.33 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1whq h LEU 69 CO -0.12 0.45 0.48 0.58 0.09 0.00 0.00 178.44 179.93 1whq h VAL 70 N 0.58 1.26 -0.61 1.22 2.07 -1.13 0.92 116.25 120.55 1whq h VAL 70 Ca 0.16 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1whq h VAL 70 Cb 0.02 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1whq h VAL 70 CO -0.03 0.29 0.38 0.03 0.02 0.00 0.00 177.57 178.27 1whq h ARG 71 N 1.25 0.82 0.00 1.57 2.47 -1.07 -0.93 114.38 118.50 1whq h ARG 71 Ca 0.31 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1whq h ARG 71 Cb 0.03 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 1whq h ARG 71 CO -0.05 0.57 0.00 0.44 0.56 0.00 0.00 179.97 181.49 1whq n ILE 72 N -4.63 0.02 -3.12 2.04 -5.35 -0.87 -4.88 119.36 102.57 1whq n ILE 72 Ca 0.04 0.01 -0.16 0.00 -0.27 0.00 0.00 62.75 62.37 1whq n ILE 72 Cb 0.04 -0.55 0.05 0.00 -1.74 0.00 0.00 39.64 37.44 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 -1.07 -4.82 -0.01 7.28 5.15 -0.35 -4.92 115.26 116.51 1whq n ASN 73 Ca 0.20 -0.32 0.10 0.00 -0.60 0.00 0.00 54.58 53.96 1whq n ASN 73 Cb 0.13 -3.47 -0.15 0.00 -0.53 0.00 0.00 39.78 35.75 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 -3.34 0.60 -3.74 1.20 -0.58 0.25 -4.94 120.64 110.07 1whq n GLU 74 Ca -0.01 -0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.42 1whq n GLU 74 Cb 0.55 -1.47 -0.14 0.00 -0.57 0.00 0.00 31.44 29.81 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 -3.37 -0.04 0.09 2.62 1.01 -1.21 -4.97 120.40 114.52 1whq s VAL 75 Ca -0.07 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1whq s VAL 75 Cb 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1whq s VAL 75 CO 0.82 0.07 0.96 -0.54 0.00 0.00 0.00 175.10 176.41 1whq s LYS 76 N 1.19 4.67 0.53 2.72 1.02 -1.26 -3.99 119.74 124.62 1whq s LYS 76 Ca -0.09 1.43 0.32 0.00 0.02 0.00 0.00 55.97 57.66 1whq s LYS 76 Cb -0.11 -3.39 1.76 0.00 -0.52 0.00 0.00 37.83 35.57 1whq s LYS 76 CO -0.07 0.17 1.98 0.66 -0.92 0.00 0.00 175.35 177.17 1whq h SER 77 N 5.79 0.00 0.08 2.83 4.64 -1.96 -0.62 113.55 124.31 1whq h SER 77 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1whq h SER 77 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1whq h SER 77 CO 0.72 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.35 1whq h GLU 78 N 0.00 0.00 0.00 4.77 5.08 -2.01 -1.67 114.58 120.75 1whq h GLU 78 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1whq h GLU 78 Cb 0.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1whq h GLU 78 CO 0.00 0.00 -2.29 0.39 -1.00 0.00 0.00 179.01 176.11 1whq n GLU 79 N -2.88 0.68 -2.13 2.33 -0.58 -0.24 -4.95 120.64 112.87 1whq n GLU 79 Ca -0.02 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.35 1whq n GLU 79 Cb 0.08 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 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 -2.51 2.79 0.81 2.62 1.01 -0.63 -5.00 120.40 119.49 1whq s VAL 80 Ca -0.09 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1whq s VAL 80 Cb 0.06 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1whq s VAL 80 CO 0.83 0.17 1.09 -2.16 0.00 0.00 0.00 175.10 175.03 1whq s PRO 81 N -1.41 1.99 0.80 2.72 0.04 -1.26 -4.98 135.00 132.90 1whq s PRO 81 Ca 0.51 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1whq s PRO 81 Cb -0.39 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1whq s PRO 81 CO 0.50 -1.80 1.16 0.00 0.04 0.00 0.00 177.00 176.89 1whq s ALA 82 N -2.91 2.58 -0.44 8.56 0.00 -1.26 -5.03 121.76 123.26 1whq s ALA 82 Ca 0.62 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 1whq s ALA 82 Cb -0.17 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1whq s ALA 82 CO 0.56 -1.65 0.43 0.54 0.00 0.00 0.00 175.76 175.65 1whq s VAL 83 N -3.49 5.12 -0.03 0.00 0.11 -1.26 -4.91 120.40 115.94 1whq s VAL 83 Ca 0.61 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1whq s VAL 83 Cb -0.12 -4.08 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1whq s VAL 83 CO 0.50 -0.50 -0.12 0.61 -3.33 0.00 0.00 175.10 172.26 1whq n GLY 84 N 5.15 -0.28 3.69 6.54 0.00 -1.26 -5.00 105.19 114.03 1whq n GLY 84 Ca -0.09 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.97 5.28 -0.26 -0.61 -4.36 -1.26 -5.06 121.20 112.96 1whq s ILE 85 Ca -0.10 0.51 -0.12 0.00 -0.26 0.00 0.00 60.65 60.67 1whq s ILE 85 Cb 0.01 -3.63 0.09 0.00 1.25 0.00 0.00 42.46 40.19 1whq s ILE 85 CO 0.15 0.33 0.61 -0.69 0.24 0.00 0.00 174.94 175.58 1whq s VAL 86 N 0.90 -0.36 0.61 8.37 1.01 -1.26 -5.16 120.40 124.51 1whq s VAL 86 Ca 0.15 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1whq s VAL 86 Cb -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1whq s VAL 86 CO 0.05 0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.12 1whq s PRO 87 N 2.07 3.02 0.89 2.72 0.04 -1.26 -5.03 135.00 137.44 1whq s PRO 87 Ca -0.08 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 1whq s PRO 87 Cb -0.08 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.61 1whq s PRO 87 CO -0.18 -1.09 1.09 -1.25 0.04 0.00 0.00 177.00 175.61 1whq s PRO 88 N -3.77 1.34 -0.27 0.56 0.04 -1.26 -4.95 135.00 126.69 1whq s PRO 88 Ca 0.69 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1whq s PRO 88 Cb -0.22 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1whq s PRO 88 CO 0.36 -2.19 1.64 -1.25 0.04 0.00 0.00 177.00 175.59 1whq s PRO 89 N -4.93 3.65 -0.55 0.56 0.04 -1.26 -4.90 135.00 127.61 1whq s PRO 89 Ca 0.63 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1whq s PRO 89 Cb -0.18 -4.08 0.43 0.00 0.04 0.00 0.00 34.50 30.71 1whq s PRO 89 CO 0.57 -1.47 1.60 -1.13 0.04 0.00 0.00 177.00 176.61 1whq n SER 90 N 8.97 6.27 -0.97 6.66 3.41 -1.26 -4.91 113.62 131.79 1whq n SER 90 Ca 0.20 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.03 1whq n SER 90 Cb 0.46 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1whq n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whq n GLY 91 N -0.70 -0.74 3.55 5.00 0.00 -1.26 -4.95 105.19 106.09 1whq n GLY 91 Ca 0.51 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.68 2.61 -0.10 1.61 0.04 -1.26 -4.84 135.00 132.38 1whq s PRO 92 Ca 0.00 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.24 1whq s PRO 92 Cb 0.00 -4.56 -0.15 0.00 0.04 0.00 0.00 34.50 29.83 1whq s PRO 92 CO 0.00 -2.90 0.58 1.03 0.04 0.00 0.00 177.00 175.76 1whq h SER 93 N 14.05 -0.05 -3.19 6.66 0.87 -2.05 -3.45 113.55 126.39 1whq h SER 93 Ca -0.17 -0.52 -0.58 0.00 -1.23 0.00 0.00 61.79 59.29 1whq h SER 93 Cb 1.12 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1whq h SER 93 CO 1.22 0.67 -0.10 -0.55 -0.53 0.00 0.00 176.83 177.54 1whq s SER 94 N -5.81 6.92 0.00 6.23 0.15 -1.26 -5.32 113.70 114.62 1whq s SER 94 Ca -0.12 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1whq s SER 94 Cb -0.01 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1whq s SER 94 CO 0.43 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.72