#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 3.55 0.07 1.61 1.04 -1.26 -5.02 113.70 113.71 1whq s SER -2 Ca 0.00 -0.53 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 1whq s SER -2 Cb 0.00 -1.56 -0.15 0.00 0.10 0.00 0.00 66.02 64.41 1whq s SER -2 CO 0.00 0.03 1.66 -1.28 0.98 0.00 0.00 173.24 174.63 1whq h SER -1 N 7.74 0.04 0.00 7.02 0.87 -2.15 -3.49 113.55 123.58 1whq h SER -1 Ca -0.40 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1whq h SER -1 Cb 1.16 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1whq h SER -1 CO 0.60 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.63 1whq n GLY 0 N -0.86 -0.17 2.66 5.77 0.00 -1.26 -5.10 105.19 106.23 1whq n GLY 0 Ca -0.07 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 1whq n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whq s SER 1 N -4.00 1.57 -0.08 1.61 0.01 -1.26 -5.14 113.70 106.41 1whq s SER 1 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 1whq s SER 1 Cb 0.00 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1whq s SER 1 CO 0.00 -0.29 0.00 -0.55 0.41 0.00 0.00 173.24 172.81 1whq s SER 2 N 2.18 5.22 0.00 2.44 0.15 -1.26 -4.62 113.70 117.81 1whq s SER 2 Ca 0.04 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1whq s SER 2 Cb -0.14 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1whq s SER 2 CO -0.06 0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1whq n GLY 3 N 2.11 -0.51 0.26 9.45 0.00 -1.26 -4.95 105.19 110.29 1whq n GLY 3 Ca -0.18 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.06 1whq n GLY 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1whq h ILE 4 N 0.00 0.03 0.12 -0.61 6.09 -1.96 -3.26 117.51 117.91 1whq h ILE 4 Ca 0.00 -0.68 -0.01 0.00 -1.37 0.00 0.00 64.86 62.80 1whq h ILE 4 Cb 0.00 1.67 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1whq h ILE 4 CO 0.00 0.01 -0.06 0.50 -3.07 0.00 0.00 178.15 175.53 1whq h LYS 5 N 0.00 -0.16 -0.96 2.19 1.63 -1.92 -3.16 116.57 114.19 1whq h LYS 5 Ca -0.00 0.01 0.28 0.00 -0.85 0.00 0.00 60.65 60.09 1whq h LYS 5 Cb 0.67 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 1whq h LYS 5 CO 0.00 0.24 0.82 -0.97 -3.45 0.00 0.00 179.45 176.09 1whq h ASN 6 N -0.94 0.00 0.28 4.20 -0.73 -1.81 -1.31 115.58 115.26 1whq h ASN 6 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1whq h ASN 6 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1whq h ASN 6 CO 0.03 0.00 -0.14 0.15 -0.37 0.00 0.00 177.43 177.10 1whq h PHE 7 N 0.00 -0.35 -0.24 0.67 3.57 -1.60 -2.37 116.94 116.61 1whq h PHE 7 Ca 0.46 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.01 1whq h PHE 7 Cb 2.08 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 40.86 1whq h PHE 7 CO 0.00 -0.22 -0.33 1.25 -2.23 0.00 0.00 178.31 176.78 1whq h LEU 8 N -0.68 -1.06 -0.10 0.59 5.85 -1.28 0.86 115.31 119.50 1whq h LEU 8 Ca -0.04 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1whq h LEU 8 Cb 0.29 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1whq h LEU 8 CO 0.06 -0.35 -0.51 0.22 -0.34 0.00 0.00 178.44 177.52 1whq h TYR 9 N -0.34 -1.51 -0.46 1.25 3.20 -1.41 0.14 116.97 117.84 1whq h TYR 9 Ca 0.12 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.14 1whq h TYR 9 Cb 0.55 0.67 -0.08 0.00 1.54 0.00 0.00 36.73 39.41 1whq h TYR 9 CO -0.47 -0.54 -0.02 0.00 -1.64 0.00 0.00 178.16 175.49 1whq h ALA 10 N -0.22 0.41 0.08 1.82 0.00 -0.98 0.50 119.26 120.86 1whq h ALA 10 Ca 0.04 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1whq h ALA 10 Cb 0.68 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1whq h ALA 10 CO -0.41 -0.40 -0.24 2.35 0.00 0.00 0.00 179.25 180.55 1whq h TRP 11 N 0.09 -0.65 -0.85 0.00 7.01 -0.04 -1.61 115.95 119.91 1whq h TRP 11 Ca 0.23 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.31 1whq h TRP 11 Cb 0.34 0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 27.61 1whq h TRP 11 CO -0.31 -0.34 0.52 0.00 -2.79 0.00 0.00 178.44 175.52 1whq h GLY 13 N 0.94 1.34 1.88 0.00 0.00 -0.31 -0.35 103.07 106.56 1whq h GLY 13 Ca 0.38 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1whq h GLY 13 CO -0.18 0.40 0.07 0.50 0.00 0.00 0.00 176.54 177.32 1whq h LYS 14 N 1.17 0.16 -0.67 4.80 1.79 -0.45 0.09 116.57 123.46 1whq h LYS 14 Ca 0.37 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1whq h LYS 14 Cb 0.01 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1whq h LYS 14 CO -0.11 0.12 0.00 0.54 -1.08 0.00 0.00 179.45 178.92 1whq n ARG 15 N -4.51 3.13 -3.54 3.15 1.74 -0.55 -4.90 116.66 111.19 1whq n ARG 15 Ca -0.01 -1.93 -0.21 0.00 -0.77 0.00 0.00 57.85 54.93 1whq n ARG 15 Cb 0.09 -1.83 0.08 0.00 -1.02 0.00 0.00 32.46 29.78 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 0.52 -7.40 -4.33 5.56 4.76 0.02 -5.01 118.16 112.28 1whq n LYS 16 Ca 0.17 0.83 -0.17 0.00 -2.87 0.00 0.00 58.31 56.27 1whq n LYS 16 Cb 0.74 -5.87 -0.10 0.00 -1.84 0.00 0.00 35.03 27.96 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1whq s MET 17 N -5.94 1.31 -0.19 1.97 -1.94 -0.25 -5.00 119.30 109.25 1whq s MET 17 Ca 0.35 -1.63 -0.05 0.00 -1.71 0.00 0.00 55.69 52.65 1whq s MET 17 Cb -0.16 -0.78 0.07 0.00 2.01 0.00 0.00 34.83 35.97 1whq s MET 17 CO 0.73 0.00 0.09 0.99 -0.01 0.00 0.00 175.02 176.83 1whq s THR 18 N -3.27 -0.05 0.18 2.05 2.01 -1.26 -3.29 115.64 112.00 1whq s THR 18 Ca 0.25 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1whq s THR 18 Cb 0.04 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1whq s THR 18 CO 0.07 -0.35 1.32 -2.16 -0.69 0.00 0.00 174.62 172.80 1whq s PRO 19 N 2.12 4.38 -0.09 4.92 0.04 -1.26 -4.86 135.00 140.24 1whq s PRO 19 Ca 0.03 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 1whq s PRO 19 Cb -0.16 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1whq s PRO 19 CO -0.14 -0.28 0.15 0.00 0.04 0.00 0.00 177.00 176.77 1whq s ALA 20 N 0.33 3.88 -0.12 8.56 0.00 -1.06 -4.95 121.76 128.42 1whq s ALA 20 Ca 0.58 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1whq s ALA 20 Cb -0.36 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1whq s ALA 20 CO 0.36 0.65 -0.19 0.71 0.00 0.00 0.00 175.76 177.29 1whq s TYR 21 N -1.09 2.32 -0.19 0.00 1.51 -1.26 -2.41 117.35 116.22 1whq s TYR 21 Ca 0.18 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 1whq s TYR 21 Cb -0.12 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1whq s TYR 21 CO 0.07 -0.50 -0.18 -2.00 -1.11 0.00 0.00 175.55 171.83 1whq s GLU 22 N 0.76 2.79 -0.25 -0.62 2.12 -0.76 -4.98 118.70 117.76 1whq s GLU 22 Ca -0.10 -0.85 -0.09 0.00 0.36 0.00 0.00 54.97 54.28 1whq s GLU 22 Cb -0.16 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1whq s GLU 22 CO 0.01 -0.26 0.13 0.42 -0.54 0.00 0.00 175.26 175.02 1whq s ILE 23 N 1.30 5.02 0.30 -3.70 1.01 -1.26 -2.26 121.20 121.60 1whq s ILE 23 Ca 0.03 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1whq s ILE 23 Cb -0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1whq s ILE 23 CO -0.12 0.33 0.14 -0.60 0.00 0.00 0.00 174.94 174.70 1whq s ARG 24 N 1.30 2.53 -0.18 2.79 3.52 -0.82 -4.96 118.95 123.13 1whq s ARG 24 Ca 0.06 -1.37 0.00 0.00 -0.13 0.00 0.00 55.73 54.30 1whq s ARG 24 Cb -0.14 -2.30 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 1whq s ARG 24 CO 0.06 0.23 -0.17 0.00 -0.81 0.00 0.00 175.30 174.61 1whq s ALA 25 N -2.32 2.42 -0.01 6.12 0.00 -1.26 -2.66 121.76 124.05 1whq s ALA 25 Ca 0.36 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1whq s ALA 25 Cb -0.05 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1whq s ALA 25 CO 0.23 -0.32 0.29 0.14 0.00 0.00 0.00 175.76 176.10 1whq s VAL 26 N 1.26 0.06 0.00 0.00 -7.23 -0.85 -5.00 120.40 108.63 1whq s VAL 26 Ca 0.04 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1whq s VAL 26 Cb -0.14 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.19 1whq s VAL 26 CO -0.09 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 1whq n GLY 27 N 1.24 3.01 3.48 2.32 0.00 -1.26 0.12 105.19 114.10 1whq n GLY 27 Ca -0.22 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 0.70 0.00 1.61 0.01 -1.25 -4.78 114.94 111.23 1whq s ASN 28 Ca 0.00 1.21 0.25 0.00 -0.71 0.00 0.00 52.86 53.61 1whq s ASN 28 Cb 0.00 -1.85 1.38 0.00 0.41 0.00 0.00 41.25 41.19 1whq s ASN 28 CO 0.00 -4.33 1.87 2.29 -1.51 0.00 0.00 177.10 175.42 1whq n LYS 29 N -4.97 0.54 -0.12 -0.60 2.85 -1.26 -3.28 118.16 111.32 1whq n LYS 29 Ca 0.06 0.03 -0.22 0.00 -1.05 0.00 0.00 58.31 57.13 1whq n LYS 29 Cb 0.57 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 1whq n LYS 29 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1whq n ASN 30 N -1.17 1.92 -3.85 -5.58 4.13 -1.26 -4.79 115.26 104.66 1whq n ASN 30 Ca 0.15 0.33 -0.31 0.00 1.68 0.00 0.00 54.58 56.43 1whq n ASN 30 Cb 0.15 -0.78 -0.09 0.00 -1.54 0.00 0.00 39.78 37.53 1whq n ASN 30 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1whq n ARG 31 N -4.29 2.39 -1.41 3.52 0.63 -1.24 -5.08 116.66 111.17 1whq n ARG 31 Ca -0.40 -4.54 -0.34 0.00 -0.92 0.00 0.00 57.85 51.65 1whq n ARG 31 Cb 0.75 -2.33 0.09 0.00 0.45 0.00 0.00 32.46 31.43 1whq n ARG 31 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1whq s GLN 32 N -1.79 2.13 0.16 -0.14 -2.07 -1.20 -3.95 119.66 112.79 1whq s GLN 32 Ca 0.30 1.72 0.06 0.00 -1.82 0.00 0.00 55.36 55.61 1whq s GLN 32 Cb 0.00 -1.84 -0.04 0.00 -1.09 0.00 0.00 33.01 30.04 1whq s GLN 32 CO -0.10 -1.84 -0.12 0.21 -1.32 0.00 0.00 175.29 172.12 1whq s LYS 33 N -3.97 1.13 -0.18 9.60 2.20 0.33 -4.63 119.74 124.22 1whq s LYS 33 Ca 0.73 -1.45 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1whq s LYS 33 Cb -0.28 -0.83 0.05 0.00 -1.51 0.00 0.00 37.83 35.26 1whq s LYS 33 CO 0.46 0.13 0.02 -0.06 -0.36 0.00 0.00 175.35 175.53 1whq s PHE 34 N -2.98 1.13 -0.43 4.03 0.08 -0.91 -2.01 117.98 116.88 1whq s PHE 34 Ca 0.17 -0.84 -0.19 0.00 0.12 0.00 0.00 56.93 56.19 1whq s PHE 34 Cb 0.00 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1whq s PHE 34 CO 0.03 -0.58 0.52 -1.64 -0.10 0.00 0.00 175.22 173.44 1whq s MET 35 N 1.82 3.16 -0.26 0.44 -1.94 -1.09 -2.70 119.30 118.74 1whq s MET 35 Ca -0.00 -0.63 -0.09 0.00 -1.71 0.00 0.00 55.69 53.25 1whq s MET 35 Cb -0.16 -3.97 -0.04 0.00 2.01 0.00 0.00 34.83 32.67 1whq s MET 35 CO -0.07 -0.92 0.14 0.00 -0.01 0.00 0.00 175.02 174.15 1whq s GLU 37 N 1.49 1.72 0.05 0.00 -1.05 -0.96 -1.69 118.70 118.26 1whq s GLU 37 Ca 0.06 -1.16 0.08 0.00 -0.15 0.00 0.00 54.97 53.80 1whq s GLU 37 Cb -0.15 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 1whq s GLU 37 CO 0.07 0.50 -0.21 0.54 0.95 0.00 0.00 175.26 177.10 1whq s VAL 38 N -0.86 1.73 0.03 1.83 0.11 -0.18 -1.83 120.40 121.23 1whq s VAL 38 Ca 0.12 -1.26 0.03 0.00 -2.93 0.00 0.00 61.98 57.94 1whq s VAL 38 Cb -0.10 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1whq s VAL 38 CO 0.03 0.19 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.76 1whq s ARG 39 N -1.27 0.66 -0.04 1.54 0.52 -1.01 -1.94 118.95 117.40 1whq s ARG 39 Ca 0.08 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1whq s ARG 39 Cb -0.09 -0.57 0.03 0.00 0.52 0.00 0.00 34.95 34.84 1whq s ARG 39 CO 0.02 0.13 0.02 0.08 0.02 0.00 0.00 175.30 175.57 1whq s VAL 40 N -0.95 0.12 0.35 3.52 1.01 -1.26 -2.55 120.40 120.64 1whq s VAL 40 Ca -0.03 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1whq s VAL 40 Cb -0.08 -0.28 -0.13 0.00 0.00 0.00 0.00 36.38 35.89 1whq s VAL 40 CO 0.01 0.18 0.87 1.21 0.00 0.00 0.00 175.10 177.37 1whq n GLU 41 N 4.76 1.08 0.00 2.72 2.13 -1.26 -1.79 120.64 128.28 1whq n GLU 41 Ca -0.14 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1whq n GLU 41 Cb 0.50 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 1.39 2.51 3.89 8.31 0.00 -1.26 -5.00 105.19 115.03 1whq n GLY 42 Ca 0.11 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.75 3.51 -0.11 1.61 0.08 -0.74 -5.01 117.98 116.57 1whq s PHE 43 Ca 0.00 0.58 0.06 0.00 0.12 0.00 0.00 56.93 57.69 1whq s PHE 43 Cb 0.00 -2.02 -0.24 0.00 -0.57 0.00 0.00 43.02 40.20 1whq s PHE 43 CO 0.00 0.48 0.38 0.27 -0.10 0.00 0.00 175.22 176.26 1whq n ASN 44 N 0.40 1.29 -4.77 1.36 6.94 -1.26 -4.66 115.26 114.55 1whq n ASN 44 Ca -0.05 0.23 -0.37 0.00 -0.02 0.00 0.00 54.58 54.37 1whq n ASN 44 Cb 0.52 -0.22 0.01 0.00 -2.36 0.00 0.00 39.78 37.73 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1whq s TYR 45 N -2.56 2.68 -0.15 -2.53 5.04 -1.26 -5.04 117.35 113.53 1whq s TYR 45 Ca -0.15 1.51 -0.02 0.00 -2.44 0.00 0.00 57.07 55.98 1whq s TYR 45 Cb 0.07 -3.45 0.04 0.00 0.35 0.00 0.00 41.96 38.98 1whq s TYR 45 CO 0.78 -1.84 0.00 0.00 -1.34 0.00 0.00 175.55 173.15 1whq s ALA 46 N -1.55 1.04 0.18 3.97 0.00 -1.26 -4.60 121.76 119.53 1whq s ALA 46 Ca 0.68 -0.55 -0.32 0.00 0.00 0.00 0.00 51.96 51.77 1whq s ALA 46 Cb -0.30 -1.03 -0.16 0.00 0.00 0.00 0.00 23.12 21.64 1whq s ALA 46 CO 0.35 -0.84 1.12 0.41 0.00 0.00 0.00 175.76 176.80 1whq n GLY 47 N 5.03 -0.05 2.97 0.00 0.00 -0.82 -4.68 105.19 107.63 1whq n GLY 47 Ca -0.09 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.53 1.29 -0.08 1.61 -1.94 -1.26 -1.01 119.30 117.38 1whq s MET 48 Ca 0.71 -0.28 -0.05 0.00 -1.71 0.00 0.00 55.69 54.36 1whq s MET 48 Cb -0.84 -1.13 0.03 0.00 2.01 0.00 0.00 34.83 34.89 1whq s MET 48 CO 0.53 -0.01 0.19 0.20 -0.01 0.00 0.00 175.02 175.93 1whq s GLY 49 N 0.71 -0.11 -0.08 -0.03 0.00 -0.68 -4.56 107.32 102.57 1whq s GLY 49 Ca -0.13 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.30 1whq s GLY 49 CO 0.02 0.80 -0.13 0.54 0.00 0.00 0.00 173.10 174.33 1whq s ASN 50 N 0.66 4.09 -0.27 1.64 2.20 -1.26 -1.41 114.94 120.59 1whq s ASN 50 Ca -0.05 -0.22 -0.25 0.00 -0.94 0.00 0.00 52.86 51.40 1whq s ASN 50 Cb -0.06 -1.16 0.11 0.00 -2.00 0.00 0.00 41.25 38.14 1whq s ASN 50 CO -0.04 0.28 0.95 -0.55 -2.94 0.00 0.00 177.10 174.81 1whq s SER 51 N -0.34 -0.52 0.61 3.54 0.15 -1.10 -4.80 113.70 111.25 1whq s SER 51 Ca 0.03 0.99 0.35 0.00 0.70 0.00 0.00 55.95 58.03 1whq s SER 51 Cb -0.13 1.00 1.99 0.00 -1.71 0.00 0.00 66.02 67.18 1whq s SER 51 CO 0.02 -0.19 2.27 0.71 1.20 0.00 0.00 173.24 177.26 1whq h THR 52 N 3.65 0.31 -3.39 6.45 1.35 -1.86 -2.43 112.91 117.00 1whq h THR 52 Ca -0.28 -0.09 -0.68 0.00 -0.55 0.00 0.00 66.41 64.81 1whq h THR 52 Cb 1.17 1.07 -0.16 0.00 -1.73 0.00 0.00 68.15 68.50 1whq h THR 52 CO 0.10 0.02 -0.64 0.20 -0.25 0.00 0.00 175.52 174.95 1whq s ASN 53 N -5.76 5.12 0.06 5.36 0.01 -1.26 -4.62 114.94 113.86 1whq s ASN 53 Ca -0.04 0.10 -0.26 0.00 -0.71 0.00 0.00 52.86 51.95 1whq s ASN 53 Cb 0.14 -1.41 -0.17 0.00 0.41 0.00 0.00 41.25 40.22 1whq s ASN 53 CO 0.50 0.37 1.61 0.11 -1.51 0.00 0.00 177.10 178.18 1whq h LYS 54 N 5.12 -0.23 -0.27 -0.60 1.57 -1.93 -0.81 116.57 119.42 1whq h LYS 54 Ca -0.50 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1whq h LYS 54 Cb 1.19 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 1whq h LYS 54 CO 0.54 -0.08 -0.29 0.87 -0.57 0.00 0.00 179.45 179.91 1whq h LYS 55 N -0.33 -0.28 0.73 3.15 1.57 -1.96 -2.20 116.57 117.25 1whq h LYS 55 Ca -0.02 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1whq h LYS 55 Cb 0.26 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1whq h LYS 55 CO 0.04 -0.19 -0.47 0.22 -0.57 0.00 0.00 179.45 178.48 1whq h ASP 56 N -0.29 -1.21 -0.85 0.86 3.58 -1.94 -2.70 116.42 113.88 1whq h ASP 56 Ca 0.14 0.07 0.24 0.00 0.42 0.00 0.00 57.03 57.90 1whq h ASP 56 Cb 0.51 0.36 -0.16 0.00 1.72 0.00 0.00 39.33 41.76 1whq h ASP 56 CO -0.43 -0.72 0.04 0.00 -2.88 0.00 0.00 179.24 175.26 1whq n ALA 57 N -2.72 0.46 0.33 -0.78 0.00 -0.32 0.06 120.51 117.55 1whq n ALA 57 Ca -0.14 0.91 -0.18 0.00 0.00 0.00 0.00 53.44 54.03 1whq n ALA 57 Cb 0.48 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.93 -1.06 0.00 4.20 -1.08 -0.86 115.11 115.38 1whq h GLN 58 Ca 0.53 0.06 0.32 0.00 0.06 0.00 0.00 58.65 59.62 1whq h GLN 58 Cb 1.11 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 28.97 1whq h GLN 58 CO -0.79 -0.62 0.64 0.77 -0.67 0.00 0.00 178.83 178.16 1whq h SER 59 N -0.96 0.48 -0.09 1.46 0.02 -0.21 0.20 113.55 114.45 1whq h SER 59 Ca -0.07 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1whq h SER 59 Cb 0.80 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1whq h SER 59 CO 0.03 -0.06 -0.09 0.78 -1.14 0.00 0.00 176.83 176.35 1whq h ASN 60 N 0.34 0.24 -0.21 3.07 2.35 -0.83 -2.18 115.58 118.36 1whq h ASN 60 Ca 0.71 -0.47 0.05 0.00 -0.55 0.00 0.00 56.30 56.03 1whq h ASN 60 Cb 1.73 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 39.98 1whq h ASN 60 CO -0.49 0.66 -0.11 0.00 -1.65 0.00 0.00 177.43 175.84 1whq h ALA 61 N 0.58 0.06 0.89 -0.83 0.00 0.75 0.10 119.26 120.82 1whq h ALA 61 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1whq h ALA 61 Cb 0.59 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1whq h ALA 61 CO 0.02 -0.53 -0.46 0.00 0.00 0.00 0.00 179.25 178.28 1whq h ALA 62 N 1.09 -1.32 -0.81 0.00 0.00 -1.21 -2.53 119.26 114.48 1whq h ALA 62 Ca 0.12 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1whq h ALA 62 Cb 0.26 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 1whq h ALA 62 CO -0.27 -1.24 0.27 -0.09 0.00 0.00 0.00 179.25 177.92 1whq h ARG 63 N -1.24 0.33 -0.08 0.00 2.43 -1.28 -0.84 114.38 113.70 1whq h ARG 63 Ca -0.12 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1whq h ARG 63 Cb 0.96 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 1whq h ARG 63 CO 0.18 0.22 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.08 1whq h ASP 64 N 0.34 -1.02 -0.94 -3.80 5.19 -0.61 -1.62 116.42 113.95 1whq h ASP 64 Ca 0.48 0.14 0.03 0.00 -0.62 0.00 0.00 57.03 57.05 1whq h ASP 64 Cb 0.84 0.42 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 1whq h ASP 64 CO -0.52 -0.38 0.62 0.15 -3.12 0.00 0.00 179.24 175.99 1whq h PHE 65 N -0.44 1.16 -0.73 4.55 3.57 -0.80 -2.45 116.94 121.80 1whq h PHE 65 Ca 0.08 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.76 1whq h PHE 65 Cb 0.56 -0.39 -0.11 0.00 2.79 0.00 0.00 35.95 38.81 1whq h PHE 65 CO -0.39 0.69 0.19 0.28 -2.23 0.00 0.00 178.31 176.85 1whq h VAL 66 N 1.22 0.54 -0.49 1.41 2.07 -0.25 0.37 116.25 121.13 1whq h VAL 66 Ca 0.37 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.93 1whq h VAL 66 Cb -0.05 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1whq h VAL 66 CO -0.11 0.05 0.36 0.78 0.02 0.00 0.00 177.57 178.67 1whq h ASN 67 N 0.29 0.00 1.14 0.57 2.35 -0.93 0.18 115.58 119.17 1whq h ASN 67 Ca 0.41 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.99 1whq h ASN 67 Cb 0.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1whq h ASN 67 CO -0.49 0.00 -0.81 0.22 -1.65 0.00 0.00 177.43 174.71 1whq h TYR 68 N 0.00 0.00 0.00 1.19 5.03 -0.33 -2.59 116.97 120.27 1whq h TYR 68 Ca 0.23 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.43 1whq h TYR 68 Cb 0.94 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1whq h TYR 68 CO 0.00 0.81 -0.51 -0.07 -1.32 0.00 0.00 178.16 177.06 1whq h LEU 69 N 0.00 0.00 0.18 2.82 3.38 -0.04 -2.56 115.31 119.09 1whq h LEU 69 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1whq h LEU 69 Cb 1.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.35 1whq h LEU 69 CO 0.10 0.51 -1.68 0.58 0.09 0.00 0.00 178.44 178.05 1whq h VAL 70 N 0.00 1.02 -0.42 1.22 2.07 -1.43 0.11 116.25 118.82 1whq h VAL 70 Ca -0.01 -2.60 -0.04 0.00 0.82 0.00 0.00 66.70 64.88 1whq h VAL 70 Cb 0.97 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 1whq h VAL 70 CO 0.07 0.84 0.11 0.08 0.02 0.00 0.00 177.57 178.69 1whq h ARG 71 N 0.10 0.62 -0.00 1.57 0.11 -1.45 -1.04 114.38 114.29 1whq h ARG 71 Ca -0.31 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1whq h ARG 71 Cb 2.09 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 33.06 1whq h ARG 71 CO 0.18 0.56 -0.03 0.44 0.10 0.00 0.00 179.97 181.23 1whq n ILE 72 N -4.32 0.00 -2.88 0.08 -5.35 -0.97 -4.91 119.36 101.01 1whq n ILE 72 Ca 0.03 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1whq n ILE 72 Cb 0.19 -0.41 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 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 -1.20 -3.43 -0.04 7.28 2.85 -0.39 -4.95 115.26 115.37 1whq n ASN 73 Ca 0.15 -0.23 -0.03 0.00 -0.11 0.00 0.00 54.58 54.36 1whq n ASN 73 Cb 0.24 -2.40 -0.07 0.00 1.24 0.00 0.00 39.78 38.79 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1whq n GLU 74 N -2.36 2.16 -4.44 1.20 -0.58 0.23 -4.99 120.64 111.85 1whq n GLU 74 Ca -0.02 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.47 1whq n GLU 74 Cb 0.54 -1.23 -0.16 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.29 0.92 -0.10 2.62 1.01 -0.22 -4.98 120.40 117.35 1whq s VAL 75 Ca -0.04 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1whq s VAL 75 Cb 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1whq s VAL 75 CO 0.38 0.31 0.84 -0.54 0.00 0.00 0.00 175.10 176.08 1whq s LYS 76 N 0.71 4.40 0.58 2.72 1.02 -1.26 -4.10 119.74 123.81 1whq s LYS 76 Ca -0.13 1.08 0.30 0.00 0.02 0.00 0.00 55.97 57.25 1whq s LYS 76 Cb -0.15 -3.51 1.41 0.00 -0.52 0.00 0.00 37.83 35.06 1whq s LYS 76 CO 0.02 -0.16 1.79 1.03 -0.92 0.00 0.00 175.35 177.11 1whq h SER 77 N 7.05 0.00 -0.63 2.83 0.87 -1.96 0.29 113.55 122.00 1whq h SER 77 Ca -0.35 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.35 1whq h SER 77 Cb 1.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 1whq h SER 77 CO 0.80 0.00 0.43 -0.33 -0.53 0.00 0.00 176.83 177.20 1whq h GLU 78 N 0.00 0.26 0.01 2.24 5.08 -2.02 -0.54 114.58 119.61 1whq h GLU 78 Ca 0.34 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.42 1whq h GLU 78 Cb 1.70 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.85 1whq h GLU 78 CO -0.00 0.17 -1.44 0.93 -1.00 0.00 0.00 179.01 177.66 1whq h GLU 79 N 0.27 0.01 -6.64 2.33 4.39 -0.82 -3.46 114.58 110.65 1whq h GLU 79 Ca 0.30 -0.02 -0.53 0.00 0.34 0.00 0.00 59.36 59.45 1whq h GLU 79 Cb 0.81 0.01 0.05 0.00 -0.10 0.00 0.00 28.75 29.52 1whq h GLU 79 CO -0.07 0.71 0.84 0.08 -1.16 0.00 0.00 179.01 179.42 1whq s VAL 80 N -2.64 2.65 0.59 3.13 1.01 -0.21 -4.98 120.40 119.94 1whq s VAL 80 Ca -0.03 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 1whq s VAL 80 Cb 0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1whq s VAL 80 CO 0.82 0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.93 1whq s PRO 81 N 0.72 3.14 -0.09 2.72 0.04 -1.26 -4.96 135.00 135.30 1whq s PRO 81 Ca 0.67 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1whq s PRO 81 Cb -0.43 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1whq s PRO 81 CO 0.35 -1.01 -0.13 0.00 0.04 0.00 0.00 177.00 176.25 1whq s ALA 82 N -2.00 2.68 -1.42 8.56 0.00 -1.26 -4.98 121.76 123.33 1whq s ALA 82 Ca 0.70 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1whq s ALA 82 Cb -0.22 -1.12 0.27 0.00 0.00 0.00 0.00 23.12 22.04 1whq s ALA 82 CO 0.33 0.40 1.01 1.55 0.00 0.00 0.00 175.76 179.05 1whq n VAL 83 N 2.91 0.95 0.00 0.00 3.14 -1.26 -4.90 118.33 119.17 1whq n VAL 83 Ca -0.18 0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1whq n VAL 83 Cb 0.52 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 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 -0.83 1.65 3.87 7.55 0.00 -1.26 -5.06 105.19 111.11 1whq n GLY 84 Ca 0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 4.92 -0.09 -0.61 -4.36 -1.26 -5.09 121.20 114.70 1whq s ILE 85 Ca 0.00 0.51 -0.01 0.00 -0.26 0.00 0.00 60.65 60.88 1whq s ILE 85 Cb 0.00 -3.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.06 1whq s ILE 85 CO 0.00 -0.07 -0.02 -0.69 0.24 0.00 0.00 174.94 174.40 1whq s VAL 86 N -1.82 4.11 0.89 8.37 1.01 -1.26 -5.11 120.40 126.60 1whq s VAL 86 Ca 0.47 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1whq s VAL 86 Cb -0.11 -2.73 0.13 0.00 0.00 0.00 0.00 36.38 33.66 1whq s VAL 86 CO 0.21 0.59 1.09 -2.16 0.00 0.00 0.00 175.10 174.83 1whq s PRO 87 N -0.68 1.29 0.79 2.72 0.04 -1.26 -5.03 135.00 132.87 1whq s PRO 87 Ca 0.11 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 1whq s PRO 87 Cb -0.12 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.68 1whq s PRO 87 CO 0.02 -2.22 1.09 -1.25 0.04 0.00 0.00 177.00 174.68 1whq s PRO 88 N -4.93 2.12 0.08 0.56 0.04 -1.26 -4.99 135.00 126.62 1whq s PRO 88 Ca 0.63 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1whq s PRO 88 Cb -0.18 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 1whq s PRO 88 CO 0.57 -1.73 1.40 -1.00 0.04 0.00 0.00 177.00 176.28 1whq h PRO 89 N -1.19 0.60 -5.88 0.56 0.13 -1.98 -3.44 132.00 120.80 1whq h PRO 89 Ca -0.44 -0.32 -0.67 0.00 -0.87 0.00 0.00 66.00 63.70 1whq h PRO 89 Cb 1.24 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 1whq h PRO 89 CO 0.52 0.92 -0.57 0.45 -0.23 0.00 0.00 178.00 179.09 1whq s SER 90 N -6.43 5.70 0.00 1.44 0.15 -1.26 -4.42 113.70 108.89 1whq s SER 90 Ca -0.13 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1whq s SER 90 Cb 0.08 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1whq s SER 90 CO 0.81 0.36 0.00 0.61 1.20 0.00 0.00 173.24 176.22 1whq n GLY 91 N 1.84 -0.78 3.69 9.45 0.00 -1.26 -4.97 105.19 113.15 1whq n GLY 91 Ca -0.18 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.88 4.27 -0.71 1.61 0.04 -1.26 -3.01 135.00 135.06 1whq s PRO 92 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1whq s PRO 92 Cb 0.00 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1whq s PRO 92 CO 0.00 -0.60 0.04 0.43 0.04 0.00 0.00 177.00 176.91 1whq n SER 93 N 5.40 -2.84 -0.05 6.66 7.64 -1.26 -4.74 113.62 124.43 1whq n SER 93 Ca 0.14 0.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.20 1whq n SER 93 Cb 0.43 -2.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.11 1whq n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whq n SER 94 N -1.74 3.08 0.00 6.43 2.88 -1.16 -5.22 113.62 117.89 1whq n SER 94 Ca -0.08 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1whq n SER 94 Cb 0.57 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42