#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 4.93 1.09 1.61 0.01 -1.26 -4.95 113.70 115.13 1whq s SER -2 Ca 0.00 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.13 1whq s SER -2 Cb 0.00 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.82 1whq s SER -2 CO 0.00 -2.77 0.10 -0.24 0.41 0.00 0.00 173.24 170.73 1whq n SER -1 N 14.39 -2.75 -2.35 2.44 2.88 -1.26 -4.63 113.62 122.34 1whq n SER -1 Ca 0.33 -0.27 -0.01 0.00 -1.33 0.00 0.00 58.87 57.59 1whq n SER -1 Cb 0.50 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1whq n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whq n GLY 0 N 2.27 -3.16 0.23 0.46 0.00 -1.26 -5.03 105.19 98.69 1whq n GLY 0 Ca 0.03 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 0.27 1.76 -4.41 1.61 2.88 -1.26 -4.83 113.62 109.64 1whq n SER 1 Ca 0.02 0.30 -0.44 0.00 -1.33 0.00 0.00 58.87 57.42 1whq n SER 1 Cb 0.08 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 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 -6.96 6.45 -0.24 -3.46 1.04 -1.26 -4.82 113.70 104.46 1whq s SER 2 Ca -0.33 -1.81 -0.06 0.00 0.48 0.00 0.00 55.95 54.24 1whq s SER 2 Cb 0.11 -2.35 -0.17 0.00 0.10 0.00 0.00 66.02 63.71 1whq s SER 2 CO 0.42 -1.07 -0.13 0.61 0.98 0.00 0.00 173.24 174.06 1whq n GLY 3 N 5.18 -0.46 0.05 7.32 0.00 -1.26 -4.16 105.19 111.86 1whq n GLY 3 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.67 0.36 0.11 -0.61 0.13 -1.26 -4.19 119.36 110.23 1whq n ILE 4 Ca -0.45 -0.56 -0.05 0.00 -1.10 0.00 0.00 62.75 60.59 1whq n ILE 4 Cb 0.94 -0.18 -0.02 0.00 -0.84 0.00 0.00 39.64 39.54 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 -0.31 0.00 9.51 3.64 -1.91 -2.98 116.57 124.52 1whq h LYS 5 Ca -0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1whq h LYS 5 Cb 1.15 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1whq h LYS 5 CO 0.01 -0.21 0.39 -0.97 -2.27 0.00 0.00 179.45 176.40 1whq h ASN 6 N -0.65 0.00 0.02 4.20 -0.73 -1.80 0.18 115.58 116.81 1whq h ASN 6 Ca -0.03 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.04 1whq h ASN 6 Cb 0.25 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.84 1whq h ASN 6 CO 0.05 0.00 -0.40 0.15 -0.37 0.00 0.00 177.43 176.87 1whq h PHE 7 N 0.00 0.36 0.00 0.67 3.04 -1.71 -2.73 116.94 116.56 1whq h PHE 7 Ca 0.00 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 61.74 1whq h PHE 7 Cb 0.78 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1whq h PHE 7 CO 0.00 1.06 -0.02 1.25 -2.02 0.00 0.00 178.31 178.58 1whq h LEU 8 N -0.45 0.02 -0.68 0.59 5.85 -0.57 -1.83 115.31 118.24 1whq h LEU 8 Ca -0.06 -0.84 0.10 0.00 0.84 0.00 0.00 57.88 57.92 1whq h LEU 8 Cb 1.18 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1whq h LEU 8 CO 0.08 0.85 0.30 0.22 -0.34 0.00 0.00 178.44 179.55 1whq h TYR 9 N -0.82 0.53 -0.16 1.25 3.20 -1.25 0.16 116.97 119.88 1whq h TYR 9 Ca -0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1whq h TYR 9 Cb 0.86 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1whq h TYR 9 CO 0.22 0.16 -0.19 0.00 -1.64 0.00 0.00 178.16 176.71 1whq h ALA 10 N 1.44 0.24 -0.14 1.82 0.00 -1.58 -1.10 119.26 119.94 1whq h ALA 10 Ca 0.34 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1whq h ALA 10 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1whq h ALA 10 CO -0.30 0.16 -0.03 2.35 0.00 0.00 0.00 179.25 181.43 1whq h TRP 11 N 0.04 -0.07 -0.37 0.00 7.01 -0.75 -1.80 115.95 120.01 1whq h TRP 11 Ca 0.02 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1whq h TRP 11 Cb 0.75 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1whq h TRP 11 CO 0.09 -0.06 0.07 0.00 -2.79 0.00 0.00 178.44 175.75 1whq h GLY 13 N 0.45 1.41 2.00 0.00 0.00 -0.89 0.33 103.07 106.37 1whq h GLY 13 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1whq h GLY 13 CO 0.00 -0.01 -0.00 0.50 0.00 0.00 0.00 176.54 177.04 1whq h LYS 14 N 0.67 0.00 -0.61 4.80 1.57 -1.19 -0.62 116.57 121.19 1whq h LYS 14 Ca 0.46 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.00 1whq h LYS 14 Cb 0.63 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.79 1whq h LYS 14 CO -0.34 0.00 0.21 0.54 -0.57 0.00 0.00 179.45 179.29 1whq n ARG 15 N -3.09 2.66 -3.92 3.15 1.74 0.11 -4.92 116.66 112.39 1whq n ARG 15 Ca -0.02 -3.07 -0.29 0.00 -0.77 0.00 0.00 57.85 53.70 1whq n ARG 15 Cb 0.11 -2.03 0.02 0.00 -1.02 0.00 0.00 32.46 29.54 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 -0.75 -5.07 -4.42 5.56 4.01 -0.24 -4.97 118.16 112.28 1whq n LYS 16 Ca 0.40 0.57 -0.24 0.00 -0.51 0.00 0.00 58.31 58.53 1whq n LYS 16 Cb 1.27 -5.35 -0.11 0.00 -0.51 0.00 0.00 35.03 30.34 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1whq s MET 17 N -6.55 1.52 -0.29 1.97 -1.94 -0.60 -5.00 119.30 108.41 1whq s MET 17 Ca 0.53 -1.61 -0.02 0.00 -1.71 0.00 0.00 55.69 52.88 1whq s MET 17 Cb -0.27 -1.65 0.09 0.00 2.01 0.00 0.00 34.83 35.02 1whq s MET 17 CO 0.84 0.33 0.09 0.99 -0.01 0.00 0.00 175.02 177.26 1whq s THR 18 N -2.21 0.61 0.16 2.05 2.01 -1.26 -3.48 115.64 113.52 1whq s THR 18 Ca 0.24 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1whq s THR 18 Cb -0.06 -1.41 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 1whq s THR 18 CO 0.11 -0.61 1.33 -2.16 -0.69 0.00 0.00 174.62 172.59 1whq s PRO 19 N 1.76 4.37 -0.16 4.92 0.04 -1.26 -4.76 135.00 139.92 1whq s PRO 19 Ca 0.08 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.07 1whq s PRO 19 Cb -0.17 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1whq s PRO 19 CO -0.25 -0.31 0.13 0.00 0.04 0.00 0.00 177.00 176.60 1whq s ALA 20 N 0.51 3.74 -0.33 8.56 0.00 -0.86 -4.93 121.76 128.45 1whq s ALA 20 Ca 0.59 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1whq s ALA 20 Cb -0.36 -2.04 0.09 0.00 0.00 0.00 0.00 23.12 20.80 1whq s ALA 20 CO 0.35 0.38 0.05 0.71 0.00 0.00 0.00 175.76 177.25 1whq s TYR 21 N -0.30 3.53 0.04 0.00 2.02 -1.26 -1.97 117.35 119.41 1whq s TYR 21 Ca 0.11 -2.51 0.01 0.00 -0.37 0.00 0.00 57.07 54.31 1whq s TYR 21 Cb -0.12 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 1whq s TYR 21 CO 0.01 -0.91 0.12 -1.83 -1.57 0.00 0.00 175.55 171.37 1whq s GLU 22 N 1.07 3.12 0.03 -0.62 -1.05 -0.84 -4.98 118.70 115.42 1whq s GLU 22 Ca 0.03 -0.54 0.08 0.00 -0.15 0.00 0.00 54.97 54.39 1whq s GLU 22 Cb -0.20 -2.87 -0.02 0.00 -0.44 0.00 0.00 34.13 30.59 1whq s GLU 22 CO -0.05 0.61 -0.23 0.42 0.95 0.00 0.00 175.26 176.96 1whq s ILE 23 N -1.36 1.84 0.20 1.83 1.01 -1.26 -1.80 121.20 121.66 1whq s ILE 23 Ca 0.29 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1whq s ILE 23 Cb -0.12 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1whq s ILE 23 CO 0.21 0.33 -0.03 -0.13 0.00 0.00 0.00 174.94 175.32 1whq s ARG 24 N -1.04 1.22 -0.18 2.79 0.52 0.15 -4.99 118.95 117.42 1whq s ARG 24 Ca 0.09 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1whq s ARG 24 Cb -0.09 -0.56 0.02 0.00 0.52 0.00 0.00 34.95 34.83 1whq s ARG 24 CO 0.01 -0.05 -0.18 0.00 0.02 0.00 0.00 175.30 175.10 1whq s ALA 25 N -3.43 2.39 0.11 2.13 0.00 -1.26 -1.42 121.76 120.28 1whq s ALA 25 Ca 0.24 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1whq s ALA 25 Cb 0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1whq s ALA 25 CO 0.06 -0.35 -0.07 0.14 0.00 0.00 0.00 175.76 175.53 1whq s VAL 26 N 1.30 0.80 0.00 0.00 -7.23 -0.67 -4.97 120.40 109.62 1whq s VAL 26 Ca 0.05 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1whq s VAL 26 Cb -0.13 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1whq s VAL 26 CO -0.11 -0.83 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 1whq n GLY 27 N -0.03 -2.06 3.96 2.32 0.00 -1.26 0.57 105.19 108.69 1whq n GLY 27 Ca -0.12 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.93 5.92 0.15 1.61 0.01 0.20 -4.83 114.94 117.07 1whq s ASN 28 Ca 0.00 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 52.12 1whq s ASN 28 Cb 0.00 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 40.06 1whq s ASN 28 CO 0.00 -0.60 1.56 0.50 -1.51 0.00 0.00 177.10 177.05 1whq h LYS 29 N 0.51 -0.28 -0.17 -0.60 1.63 -1.99 0.12 116.57 115.79 1whq h LYS 29 Ca -0.47 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.26 1whq h LYS 29 Cb 1.25 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1whq h LYS 29 CO 0.57 -0.18 -0.29 -0.97 -3.45 0.00 0.00 179.45 175.13 1whq h ASN 30 N -0.29 0.34 -2.61 4.20 -0.73 -2.03 -3.30 115.58 111.16 1whq h ASN 30 Ca 0.14 -0.11 -0.69 0.00 1.87 0.00 0.00 56.30 57.50 1whq h ASN 30 Cb 0.57 -0.09 -0.36 0.00 0.27 0.00 0.00 38.32 38.71 1whq h ASN 30 CO -0.66 0.62 -0.04 0.54 -0.37 0.00 0.00 177.43 177.52 1whq n ARG 31 N -4.12 3.22 -2.78 6.67 1.74 0.25 -5.06 116.66 116.59 1whq n ARG 31 Ca -0.01 -4.61 -0.35 0.00 -0.77 0.00 0.00 57.85 52.11 1whq n ARG 31 Cb 0.40 -2.37 -0.06 0.00 -1.02 0.00 0.00 32.46 29.41 1whq n ARG 31 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1whq s GLN 32 N -2.43 4.40 0.04 5.56 2.00 -0.30 -0.63 119.66 128.30 1whq s GLN 32 Ca 0.35 1.25 -0.01 0.00 -2.00 0.00 0.00 55.36 54.95 1whq s GLN 32 Cb 0.08 -2.51 -0.03 0.00 0.80 0.00 0.00 33.01 31.35 1whq s GLN 32 CO 0.01 0.11 -0.01 0.21 -0.50 0.00 0.00 175.29 175.11 1whq s LYS 33 N -2.58 0.55 -0.25 1.67 2.47 0.19 -4.76 119.74 117.04 1whq s LYS 33 Ca 0.56 -1.04 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 1whq s LYS 33 Cb -0.15 0.19 0.07 0.00 -1.46 0.00 0.00 37.83 36.48 1whq s LYS 33 CO 0.19 -0.10 -0.04 -0.06 0.16 0.00 0.00 175.35 175.50 1whq s PHE 34 N -3.27 2.53 -0.26 4.03 0.08 -1.22 -1.68 117.98 118.19 1whq s PHE 34 Ca 0.01 -1.90 -0.14 0.00 0.12 0.00 0.00 56.93 55.02 1whq s PHE 34 Cb 0.03 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1whq s PHE 34 CO -0.08 -0.80 0.32 -1.64 -0.10 0.00 0.00 175.22 172.92 1whq s MET 35 N 1.35 4.02 0.10 0.44 -1.94 -0.51 -2.62 119.30 120.13 1whq s MET 35 Ca -0.04 -0.05 0.07 0.00 -1.71 0.00 0.00 55.69 53.96 1whq s MET 35 Cb -0.19 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1whq s MET 35 CO -0.07 -0.21 -0.12 0.00 -0.01 0.00 0.00 175.02 174.60 1whq s GLU 37 N -2.10 0.21 0.07 0.00 2.02 -0.74 -1.78 118.70 116.38 1whq s GLU 37 Ca 0.20 -0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.22 1whq s GLU 37 Cb -0.11 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 1whq s GLU 37 CO 0.12 -0.04 -0.12 0.54 0.02 0.00 0.00 175.26 175.78 1whq s VAL 38 N -0.38 3.24 0.04 2.63 0.11 -0.40 -1.99 120.40 123.65 1whq s VAL 38 Ca -0.04 -1.18 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 1whq s VAL 38 Cb -0.03 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.34 1whq s VAL 38 CO 0.00 0.21 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.73 1whq s ARG 39 N -1.88 0.81 -0.08 1.54 1.81 -0.83 -2.76 118.95 117.55 1whq s ARG 39 Ca 0.19 -0.77 -0.03 0.00 -1.72 0.00 0.00 55.73 53.40 1whq s ARG 39 Cb -0.11 -0.78 0.04 0.00 -0.45 0.00 0.00 34.95 33.66 1whq s ARG 39 CO 0.10 0.18 0.12 0.08 -0.68 0.00 0.00 175.30 175.11 1whq s VAL 40 N -0.99 -0.20 0.46 3.52 1.01 -1.26 -2.03 120.40 120.91 1whq s VAL 40 Ca -0.01 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 1whq s VAL 40 Cb -0.08 -0.28 -0.12 0.00 0.00 0.00 0.00 36.38 35.89 1whq s VAL 40 CO 0.01 0.11 0.38 1.21 0.00 0.00 0.00 175.10 176.81 1whq n GLU 41 N 5.31 0.39 0.00 2.72 2.13 -1.26 -1.59 120.64 128.34 1whq n GLU 41 Ca -0.04 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1whq n GLU 41 Cb 0.50 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.80 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 1.97 1.85 3.88 8.31 0.00 -1.26 -4.97 105.19 114.97 1whq n GLY 42 Ca 0.11 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.33 3.58 -0.13 1.61 0.08 -0.62 -5.00 117.98 117.17 1whq s PHE 43 Ca 0.00 0.66 0.18 0.00 0.12 0.00 0.00 56.93 57.89 1whq s PHE 43 Cb 0.00 -2.06 -0.14 0.00 -0.57 0.00 0.00 43.02 40.25 1whq s PHE 43 CO 0.00 0.57 0.78 0.09 -0.10 0.00 0.00 175.22 176.57 1whq n ASN 44 N 1.03 0.78 -4.77 1.36 3.02 -1.26 -4.59 115.26 110.83 1whq n ASN 44 Ca -0.10 0.34 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 1whq n ASN 44 Cb 0.53 0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1whq s TYR 45 N -2.96 3.50 -0.27 3.10 5.04 -1.26 -5.04 117.35 119.46 1whq s TYR 45 Ca -0.03 1.70 -0.01 0.00 -2.44 0.00 0.00 57.07 56.29 1whq s TYR 45 Cb 0.09 -3.17 0.08 0.00 0.35 0.00 0.00 41.96 39.31 1whq s TYR 45 CO 0.82 -0.44 0.07 0.00 -1.34 0.00 0.00 175.55 174.65 1whq s ALA 46 N -1.38 1.37 0.08 3.97 0.00 -1.26 -4.53 121.76 120.01 1whq s ALA 46 Ca 0.50 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 1whq s ALA 46 Cb -0.27 -1.47 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 1whq s ALA 46 CO 0.34 -1.48 0.58 0.41 0.00 0.00 0.00 175.76 175.60 1whq n GLY 47 N 4.91 -0.83 3.26 0.00 0.00 -1.11 -4.47 105.19 106.95 1whq n GLY 47 Ca -0.05 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.42 2.20 -0.19 1.61 0.23 -1.26 -1.27 119.30 120.19 1whq s MET 48 Ca 0.57 -0.86 -0.16 0.00 -1.03 0.00 0.00 55.69 54.22 1whq s MET 48 Cb -0.82 -1.98 0.05 0.00 -1.53 0.00 0.00 34.83 30.56 1whq s MET 48 CO 0.43 0.43 0.51 0.20 -2.03 0.00 0.00 175.02 174.56 1whq s GLY 49 N -0.33 -0.39 0.05 3.16 0.00 -0.74 -4.42 107.32 104.64 1whq s GLY 49 Ca 0.02 1.54 0.06 0.00 0.00 0.00 0.00 44.72 46.34 1whq s GLY 49 CO 0.01 1.41 -0.17 0.54 0.00 0.00 0.00 173.10 174.89 1whq s ASN 50 N 0.58 2.07 -0.29 1.64 4.22 -1.26 -0.88 114.94 121.01 1whq s ASN 50 Ca -0.02 -0.52 -0.18 0.00 -2.14 0.00 0.00 52.86 50.00 1whq s ASN 50 Cb -0.05 -0.14 0.18 0.00 1.28 0.00 0.00 41.25 42.52 1whq s ASN 50 CO -0.03 0.08 1.17 -0.55 -2.04 0.00 0.00 177.10 175.72 1whq s SER 51 N -1.28 -0.24 0.54 3.54 0.15 -1.08 -4.72 113.70 110.61 1whq s SER 51 Ca 0.04 0.39 0.45 0.00 0.70 0.00 0.00 55.95 57.53 1whq s SER 51 Cb -0.09 0.98 1.67 0.00 -1.71 0.00 0.00 66.02 66.87 1whq s SER 51 CO 0.02 -0.06 1.61 0.71 1.20 0.00 0.00 173.24 176.71 1whq h THR 52 N 4.70 0.07 -2.80 6.45 1.35 -1.86 -3.23 112.91 117.60 1whq h THR 52 Ca -0.27 -0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.05 1whq h THR 52 Cb 1.17 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1whq h THR 52 CO 0.21 0.00 -0.34 0.20 -0.25 0.00 0.00 175.52 175.34 1whq s ASN 53 N -4.13 6.38 -0.12 5.36 0.01 -1.26 -4.46 114.94 116.71 1whq s ASN 53 Ca -0.05 0.37 -0.28 0.00 -0.71 0.00 0.00 52.86 52.19 1whq s ASN 53 Cb 0.27 -2.00 -0.26 0.00 0.41 0.00 0.00 41.25 39.67 1whq s ASN 53 CO 0.87 -0.04 0.82 0.11 -1.51 0.00 0.00 177.10 177.35 1whq h LYS 54 N 1.96 0.05 -0.52 -0.60 1.79 -1.92 -2.69 116.57 114.64 1whq h LYS 54 Ca -0.48 -0.08 0.10 0.00 -2.18 0.00 0.00 60.65 58.01 1whq h LYS 54 Cb 1.19 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.77 1whq h LYS 54 CO 0.68 1.01 -0.22 0.87 -1.08 0.00 0.00 179.45 180.70 1whq h LYS 55 N -0.87 -0.10 0.64 3.15 6.56 -1.96 -1.88 116.57 122.11 1whq h LYS 55 Ca -0.02 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1whq h LYS 55 Cb 1.07 0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.76 1whq h LYS 55 CO 0.02 -0.07 -0.31 0.22 -2.06 0.00 0.00 179.45 177.26 1whq h ASP 56 N -0.10 -0.73 -0.77 0.86 3.58 -1.93 -2.78 116.42 114.55 1whq h ASP 56 Ca 0.24 -0.02 0.22 0.00 0.42 0.00 0.00 57.03 57.89 1whq h ASP 56 Cb 0.48 0.19 -0.14 0.00 1.72 0.00 0.00 39.33 41.57 1whq h ASP 56 CO -0.58 -0.38 0.05 0.00 -2.88 0.00 0.00 179.24 175.44 1whq n ALA 57 N -2.62 0.42 0.32 -0.78 0.00 -1.00 0.04 120.51 116.91 1whq n ALA 57 Ca -0.12 0.83 -0.15 0.00 0.00 0.00 0.00 53.44 53.99 1whq n ALA 57 Cb 0.36 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 1whq n ALA 57 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whq h GLN 58 N 0.00 -0.81 -1.07 0.00 4.20 -1.29 -2.26 115.11 113.88 1whq h GLN 58 Ca 0.48 0.06 0.29 0.00 0.06 0.00 0.00 58.65 59.54 1whq h GLN 58 Cb 1.02 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 28.88 1whq h GLN 58 CO -0.72 -0.50 0.68 0.66 -0.67 0.00 0.00 178.83 178.29 1whq h SER 59 N -1.10 0.45 0.14 1.46 4.64 -0.10 0.65 113.55 119.69 1whq h SER 59 Ca -0.09 0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1whq h SER 59 Cb 0.69 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1whq h SER 59 CO 0.14 0.04 -0.44 0.78 -0.87 0.00 0.00 176.83 176.49 1whq h ASN 60 N 0.37 0.40 0.37 4.97 2.35 -0.78 -2.20 115.58 121.06 1whq h ASN 60 Ca 0.63 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.18 1whq h ASN 60 Cb 1.62 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1whq h ASN 60 CO -0.34 0.79 -0.18 0.00 -1.65 0.00 0.00 177.43 176.05 1whq h ALA 61 N 1.23 -0.50 0.41 -0.83 0.00 0.91 -2.58 119.26 117.89 1whq h ALA 61 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1whq h ALA 61 Cb 0.90 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1whq h ALA 61 CO 0.08 -0.70 -0.19 0.00 0.00 0.00 0.00 179.25 178.43 1whq h ALA 62 N -0.10 -0.54 -1.25 0.00 0.00 -1.45 -2.35 119.26 113.57 1whq h ALA 62 Ca -0.05 -0.12 0.36 0.00 0.00 0.00 0.00 54.91 55.09 1whq h ALA 62 Cb 0.47 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1whq h ALA 62 CO 0.08 -0.80 0.86 -0.09 0.00 0.00 0.00 179.25 179.30 1whq h ARG 63 N -0.56 0.13 0.53 0.00 1.12 -1.44 -1.08 114.38 113.08 1whq h ARG 63 Ca -0.06 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 1whq h ARG 63 Cb 0.43 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.36 1whq h ARG 63 CO 0.09 0.08 -0.26 0.22 -3.11 0.00 0.00 179.97 177.00 1whq h ASP 64 N 0.13 -0.61 -0.28 -3.80 3.58 -1.00 -2.98 116.42 111.46 1whq h ASP 64 Ca 0.66 0.02 0.08 0.00 0.42 0.00 0.00 57.03 58.21 1whq h ASP 64 Cb 2.25 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.45 1whq h ASP 64 CO -0.17 -0.28 0.60 0.15 -2.88 0.00 0.00 179.24 176.67 1whq h PHE 65 N -1.03 0.00 -0.09 0.28 3.57 -0.99 0.66 116.94 119.33 1whq h PHE 65 Ca -0.07 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.25 1whq h PHE 65 Cb 0.55 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1whq h PHE 65 CO 0.02 0.00 -0.70 0.28 -2.23 0.00 0.00 178.31 175.68 1whq h VAL 66 N 0.00 1.37 -0.32 1.41 2.07 -1.23 -2.88 116.25 116.67 1whq h VAL 66 Ca 0.13 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 65.49 1whq h VAL 66 Cb 1.33 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1whq h VAL 66 CO -0.00 0.63 -0.11 -0.55 0.02 0.00 0.00 177.57 177.56 1whq h ASN 67 N 0.29 0.52 0.30 0.57 7.08 0.43 -2.65 115.58 122.13 1whq h ASN 67 Ca -0.03 -0.14 -0.16 0.00 -3.08 0.00 0.00 56.30 52.90 1whq h ASN 67 Cb 1.27 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 37.36 1whq h ASN 67 CO 0.12 0.67 -0.62 0.22 -2.08 0.00 0.00 177.43 175.74 1whq h TYR 68 N 0.50 0.40 0.01 4.14 3.20 -1.49 -3.11 116.97 120.62 1whq h TYR 68 Ca 0.09 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1whq h TYR 68 Cb 0.49 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1whq h TYR 68 CO 0.02 0.85 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.31 1whq h LEU 69 N 0.23 -0.01 -1.34 2.82 3.38 -1.26 -2.40 115.31 116.72 1whq h LEU 69 Ca -0.01 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1whq h LEU 69 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1whq h LEU 69 CO 0.10 0.09 0.52 0.58 0.09 0.00 0.00 178.44 179.82 1whq h VAL 70 N -0.12 0.96 -0.04 1.22 2.07 -1.53 -0.92 116.25 117.89 1whq h VAL 70 Ca -0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1whq h VAL 70 Cb 0.11 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1whq h VAL 70 CO 0.00 0.14 0.02 0.03 0.02 0.00 0.00 177.57 177.78 1whq h ARG 71 N 0.74 0.06 0.00 1.57 3.08 -1.41 -1.86 114.38 116.56 1whq h ARG 71 Ca 0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1whq h ARG 71 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1whq h ARG 71 CO -0.14 0.18 0.00 0.44 -1.07 0.00 0.00 179.97 179.38 1whq n ILE 72 N -4.99 0.03 -2.97 2.04 -5.35 -0.84 -4.83 119.36 102.45 1whq n ILE 72 Ca -0.07 0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 1whq n ILE 72 Cb 0.10 -0.73 0.04 0.00 -1.74 0.00 0.00 39.64 37.30 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 -1.02 -4.62 -0.03 7.28 3.02 -0.70 -4.92 115.26 114.27 1whq n ASN 73 Ca 0.13 -0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.45 1whq n ASN 73 Cb 0.07 -3.34 -0.13 0.00 -0.61 0.00 0.00 39.78 35.76 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whq n GLU 74 N -3.09 0.81 -4.07 3.52 -0.58 -0.41 -4.97 120.64 111.85 1whq n GLU 74 Ca -0.03 -0.11 -0.15 0.00 -0.42 0.00 0.00 57.16 56.45 1whq n GLU 74 Cb 0.56 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.94 0.29 -0.10 2.62 1.01 -1.22 -4.96 120.40 115.11 1whq s VAL 75 Ca -0.07 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 1whq s VAL 75 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1whq s VAL 75 CO 0.71 0.09 0.54 -0.54 0.00 0.00 0.00 175.10 175.90 1whq s LYS 76 N 0.02 4.36 0.37 2.72 1.02 -1.26 -3.86 119.74 123.11 1whq s LYS 76 Ca 0.00 0.57 0.12 0.00 0.02 0.00 0.00 55.97 56.68 1whq s LYS 76 Cb -0.03 -3.43 0.91 0.00 -0.52 0.00 0.00 37.83 34.76 1whq s LYS 76 CO -0.00 0.15 1.86 0.66 -0.92 0.00 0.00 175.35 177.10 1whq h SER 77 N 6.65 0.57 -0.54 2.83 4.64 -1.95 0.12 113.55 125.87 1whq h SER 77 Ca -0.41 0.05 0.16 0.00 -0.47 0.00 0.00 61.79 61.11 1whq h SER 77 Cb 1.18 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1whq h SER 77 CO 0.75 0.26 0.63 -0.33 -0.87 0.00 0.00 176.83 177.27 1whq h GLU 78 N 0.59 0.00 0.00 4.77 5.08 -2.02 0.85 114.58 123.85 1whq h GLU 78 Ca 0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.69 1whq h GLU 78 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1whq h GLU 78 CO -0.21 0.00 -1.41 0.39 -1.00 0.00 0.00 179.01 176.78 1whq n GLU 79 N -3.55 0.62 -2.35 2.33 -0.58 0.41 -4.89 120.64 112.64 1whq n GLU 79 Ca 0.11 0.18 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 1whq n GLU 79 Cb 0.83 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 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 -3.02 3.82 0.62 2.62 1.01 0.30 -5.01 120.40 120.75 1whq s VAL 80 Ca -0.03 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1whq s VAL 80 Cb 0.09 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1whq s VAL 80 CO 0.81 0.10 1.11 -2.16 0.00 0.00 0.00 175.10 174.97 1whq s PRO 81 N 1.08 2.97 -0.08 2.72 0.04 -1.26 -4.97 135.00 135.50 1whq s PRO 81 Ca 0.60 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 1whq s PRO 81 Cb -0.32 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1whq s PRO 81 CO 0.29 -1.13 0.12 0.00 0.04 0.00 0.00 177.00 176.33 1whq s ALA 82 N -2.18 3.77 -1.35 8.56 0.00 -1.26 -4.96 121.76 124.33 1whq s ALA 82 Ca 0.69 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1whq s ALA 82 Cb -0.21 -1.84 0.19 0.00 0.00 0.00 0.00 23.12 21.26 1whq s ALA 82 CO 0.37 0.64 0.98 1.55 0.00 0.00 0.00 175.76 179.30 1whq n VAL 83 N 1.74 1.13 0.00 0.00 3.14 -1.26 -4.92 118.33 118.17 1whq n VAL 83 Ca -0.17 0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1whq n VAL 83 Cb 0.54 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1whq n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1whq n GLY 84 N -0.99 1.20 3.76 7.55 0.00 -1.26 -5.02 105.19 110.43 1whq n GLY 84 Ca 0.02 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 3.07 0.04 -0.61 -1.09 -1.26 -5.04 121.20 116.31 1whq s ILE 85 Ca 0.00 1.07 0.05 0.00 -2.23 0.00 0.00 60.65 59.53 1whq s ILE 85 Cb 0.00 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1whq s ILE 85 CO 0.00 0.24 -0.14 0.68 -1.23 0.00 0.00 174.94 174.50 1whq s VAL 86 N -1.17 1.07 0.74 2.92 -7.23 -1.26 -5.15 120.40 110.32 1whq s VAL 86 Ca 0.48 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.51 1whq s VAL 86 Cb -0.36 -0.98 0.04 0.00 0.56 0.00 0.00 36.38 35.64 1whq s VAL 86 CO 0.47 -0.03 1.10 -2.16 -0.31 0.00 0.00 175.10 174.16 1whq s PRO 87 N -1.20 2.41 0.94 4.82 0.04 -1.26 -5.03 135.00 135.72 1whq s PRO 87 Ca 0.01 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1whq s PRO 87 Cb -0.08 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.70 1whq s PRO 87 CO 0.01 -1.53 1.09 -1.25 0.04 0.00 0.00 177.00 175.36 1whq s PRO 88 N -4.68 0.90 0.39 0.56 0.04 -1.26 -4.96 135.00 125.99 1whq s PRO 88 Ca 0.63 0.70 0.18 0.00 0.04 0.00 0.00 61.00 62.54 1whq s PRO 88 Cb -0.18 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 33.36 1whq s PRO 88 CO 0.52 -2.46 1.80 -1.00 0.04 0.00 0.00 177.00 175.90 1whq h PRO 89 N -1.70 0.00 -6.36 0.56 0.13 -2.07 -3.42 132.00 119.13 1whq h PRO 89 Ca -0.52 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.04 1whq h PRO 89 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1whq h PRO 89 CO 0.56 0.36 1.15 -1.54 -0.23 0.00 0.00 178.00 178.29 1whq s SER 90 N -6.57 6.22 0.00 1.44 1.04 -1.26 -4.44 113.70 110.13 1whq s SER 90 Ca -0.01 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1whq s SER 90 Cb 0.12 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1whq s SER 90 CO 0.69 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1whq n GLY 91 N 5.02 1.00 0.00 7.32 0.00 -1.26 -4.98 105.19 112.30 1whq n GLY 91 Ca 0.19 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1whq n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whq n PRO 92 N 0.00 0.49 -1.99 1.61 -0.04 -1.26 -4.66 135.00 129.15 1whq n PRO 92 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1whq n PRO 92 Cb 0.00 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 1whq n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1whq s SER 93 N -1.90 5.06 -0.21 3.54 0.01 -1.26 -4.88 113.70 114.06 1whq s SER 93 Ca 0.19 -0.19 -0.32 0.00 1.31 0.00 0.00 55.95 56.93 1whq s SER 93 Cb 0.09 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.62 1whq s SER 93 CO 0.14 -2.71 1.01 -1.54 0.41 0.00 0.00 173.24 170.56 1whq n SER 94 N 13.99 0.51 0.00 2.44 3.41 -1.26 -5.24 113.62 127.47 1whq n SER 94 Ca 0.34 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1whq n SER 94 Cb 0.49 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49