#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0x s SER 2 N 0.00 3.92 0.00 1.61 0.01 -1.26 -5.07 113.70 112.92 2p0x s SER 2 Ca 0.00 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2p0x s SER 2 Cb 0.00 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2p0x s SER 2 CO 0.00 -2.32 0.00 0.49 0.41 0.00 0.00 173.24 171.82 2p0x n PHE 3 N -3.65 0.00 0.54 2.43 3.72 -1.26 -5.02 117.46 114.22 2p0x n PHE 3 Ca 0.07 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.55 2p0x n PHE 3 Cb 0.57 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.19 2p0x n PHE 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2p0x n ARG 4 N 0.00 1.37 -0.41 -1.08 1.74 -1.26 -5.01 116.66 112.01 2p0x n ARG 4 Ca 0.00 -1.54 -0.29 0.00 -0.77 0.00 0.00 57.85 55.25 2p0x n ARG 4 Cb 0.00 -1.31 0.28 0.00 -1.02 0.00 0.00 32.46 30.41 2p0x n ARG 4 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2p0x s VAL 5 N -1.27 1.58 -0.30 1.55 -7.23 -1.26 -5.04 120.40 108.44 2p0x s VAL 5 Ca 0.20 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.34 2p0x s VAL 5 Cb 0.14 -2.04 0.10 0.00 0.56 0.00 0.00 36.38 35.14 2p0x s VAL 5 CO 0.20 0.00 0.13 -0.75 -0.31 0.00 0.00 175.10 174.37 2p0x s LYS 6 N -4.74 0.30 0.81 4.82 2.47 -1.26 -5.15 119.74 116.99 2p0x s LYS 6 Ca 0.69 -0.68 -0.12 0.00 -1.56 0.00 0.00 55.97 54.30 2p0x s LYS 6 Cb -0.19 -1.29 0.08 0.00 -1.46 0.00 0.00 37.83 34.96 2p0x s LYS 6 CO 0.62 -1.03 1.16 -1.25 0.16 0.00 0.00 175.35 175.00 2p0x s PRO 7 N 1.94 2.00 1.13 4.03 0.04 -1.26 -4.90 135.00 137.98 2p0x s PRO 7 Ca 0.10 0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.20 2p0x s PRO 7 Cb -0.17 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.61 2p0x s PRO 7 CO -0.32 -1.59 0.47 0.00 0.04 0.00 0.00 177.00 175.60 2p0x n VAL 9 N -4.62 0.00 0.31 0.00 0.24 -1.26 -3.77 118.33 109.23 2p0x n VAL 9 Ca 0.02 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.52 2p0x n VAL 9 Cb 0.58 -0.48 0.98 0.00 -1.47 0.00 0.00 33.84 33.45 2p0x n VAL 9 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2p0x h VAL 10 N 0.00 0.00 0.00 3.34 2.07 -1.95 -3.16 116.25 116.55 2p0x h VAL 10 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2p0x h VAL 10 Cb 0.56 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2p0x h VAL 10 CO 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 177.57 176.87 2p0x n LYS 12 N -1.57 -0.73 -0.00 0.00 5.02 -1.20 -4.51 118.16 115.17 2p0x n LYS 12 Ca 0.00 0.10 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 2p0x n LYS 12 Cb 0.35 -3.28 0.06 0.00 -0.02 0.00 0.00 35.03 32.14 2p0x n LYS 12 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2p0x n VAL 13 N -0.82 0.00 -4.03 -0.18 0.24 -1.26 -4.99 118.33 107.29 2p0x n VAL 13 Ca 0.00 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 2p0x n VAL 13 Cb 0.10 1.27 -0.11 0.00 -1.47 0.00 0.00 33.84 33.64 2p0x n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p0x s ALA 14 N -1.10 0.32 -0.01 2.33 0.00 -1.26 -5.10 121.76 116.94 2p0x s ALA 14 Ca 0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2p0x s ALA 14 Cb 0.11 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2p0x s ALA 14 CO 0.17 -0.22 0.36 -1.00 0.00 0.00 0.00 175.76 175.06 2p0x h PRO 15 N 4.09 -0.06 0.00 0.00 0.13 -1.94 -2.02 132.00 132.21 2p0x h PRO 15 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2p0x h PRO 15 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2p0x h PRO 15 CO 0.50 -0.04 0.00 0.54 -0.23 0.00 0.00 178.00 178.77 2p0x n ARG 16 N -2.41 0.00 -0.86 0.86 1.74 -1.26 0.14 116.66 114.87 2p0x n ARG 16 Ca -0.01 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 2p0x n ARG 16 Cb 0.02 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.47 2p0x n ARG 16 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2p0x n ASP 17 N 0.00 -2.72 -4.03 0.55 5.75 -1.26 -4.34 116.55 110.49 2p0x n ASP 17 Ca 0.00 0.43 -0.08 0.00 -0.01 0.00 0.00 54.79 55.13 2p0x n ASP 17 Cb 0.00 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.40 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 2p0x s TRP 18 N -1.40 0.40 0.13 2.11 1.48 -1.26 -1.27 118.94 119.14 2p0x s TRP 18 Ca 0.39 -0.86 -0.02 0.00 -1.06 0.00 0.00 56.10 54.54 2p0x s TRP 18 Cb -0.33 -0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 31.66 2p0x s TRP 18 CO 0.47 -0.36 0.09 0.50 -4.06 0.00 0.00 176.95 173.59 2p0x s ARG 19 N -3.35 0.96 -0.18 3.25 6.06 0.26 -4.96 118.95 120.99 2p0x s ARG 19 Ca 0.02 -1.40 -0.03 0.00 -2.50 0.00 0.00 55.73 51.82 2p0x s ARG 19 Cb 0.04 0.26 -0.01 0.00 0.06 0.00 0.00 34.95 35.29 2p0x s ARG 19 CO -0.08 -0.28 -0.07 0.08 -2.50 0.00 0.00 175.30 172.45 2p0x s VAL 20 N -4.04 3.39 -0.39 7.11 1.01 -1.26 0.10 120.40 126.33 2p0x s VAL 20 Ca 0.23 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2p0x s VAL 20 Cb 0.07 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 34.06 2p0x s VAL 20 CO 0.01 0.47 0.12 -0.75 0.00 0.00 0.00 175.10 174.95 2p0x s LYS 21 N 0.87 1.66 0.00 2.72 2.20 0.54 -4.88 119.74 122.85 2p0x s LYS 21 Ca -0.02 -2.01 0.00 0.00 -0.36 0.00 0.00 55.97 53.59 2p0x s LYS 21 Cb -0.15 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2p0x s LYS 21 CO 0.01 -0.99 0.00 -1.71 -0.36 0.00 0.00 175.35 172.30 2p0x n ASN 22 N 4.10 -2.53 0.00 1.43 4.05 -1.26 0.13 115.26 121.18 2p0x n ASN 22 Ca 0.03 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.26 2p0x n ASN 22 Cb 0.40 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 40.83 2p0x n ASN 22 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2p0x n ARG 23 N 0.96 0.00 -4.18 1.20 5.12 -1.26 -4.92 116.66 113.58 2p0x n ARG 23 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 2p0x n ARG 23 Cb 0.15 -2.89 -0.07 0.00 -1.16 0.00 0.00 32.46 28.49 2p0x n ARG 23 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2p0x s HIS 24 N -1.20 2.92 -0.13 -1.55 3.76 0.34 -3.98 115.29 115.44 2p0x s HIS 24 Ca 0.00 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2p0x s HIS 24 Cb 0.00 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 2p0x s HIS 24 CO 0.00 0.53 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.86 2p0x s LEU 25 N -3.16 3.17 -0.17 0.89 2.01 0.71 0.20 118.68 122.34 2p0x s LEU 25 Ca 0.29 -0.12 -0.02 0.00 0.01 0.00 0.00 54.13 54.29 2p0x s LEU 25 Cb -0.09 -1.74 -0.01 0.00 0.01 0.00 0.00 46.19 44.36 2p0x s LEU 25 CO 0.20 0.22 -0.10 -0.60 1.01 0.00 0.00 176.35 177.08 2p0x s ARG 26 N 0.06 3.37 0.32 1.70 3.52 0.28 0.13 118.95 128.34 2p0x s ARG 26 Ca -0.01 -0.66 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 2p0x s ARG 26 Cb -0.14 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2p0x s ARG 26 CO 0.03 0.05 0.18 0.42 -0.81 0.00 0.00 175.30 175.17 2p0x s ILE 27 N 0.80 3.37 0.28 4.11 1.09 0.68 0.88 121.20 132.41 2p0x s ILE 27 Ca -0.04 -1.58 0.11 0.00 -1.10 0.00 0.00 60.65 58.05 2p0x s ILE 27 Cb -0.15 -3.07 -0.05 0.00 -1.06 0.00 0.00 42.46 38.12 2p0x s ILE 27 CO 0.01 -0.21 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.14 2p0x s TYR 28 N -2.35 2.24 -0.70 3.97 2.02 57.58 -1.70 117.35 178.41 2p0x s TYR 28 Ca 0.38 -0.37 0.25 0.00 -0.37 0.00 0.00 57.07 56.96 2p0x s TYR 28 Cb -0.04 -1.00 0.51 0.00 -0.40 0.00 0.00 41.96 41.03 2p0x s TYR 28 CO 0.24 0.67 1.47 -1.71 -1.57 0.00 0.00 175.55 174.66 2p0x n ASN 29 N -0.61 0.70 -3.85 2.29 5.15 -0.12 -4.62 115.26 114.20 2p0x n ASN 29 Ca -0.05 0.24 -0.13 0.00 -0.60 0.00 0.00 54.58 54.04 2p0x n ASN 29 Cb 0.60 -0.12 -0.14 0.00 -0.53 0.00 0.00 39.78 39.59 2p0x n ASN 29 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2p0x s MET 30 N -3.13 0.00 1.20 1.20 -1.94 -1.26 -4.65 119.30 110.72 2p0x s MET 30 Ca 0.08 0.05 -0.16 0.00 -1.71 0.00 0.00 55.69 53.95 2p0x s MET 30 Cb 0.14 -0.04 0.24 0.00 2.01 0.00 0.00 34.83 37.18 2p0x s MET 30 CO 0.68 -0.03 0.63 0.00 -0.01 0.00 0.00 175.02 176.29 2p0x h LYS 32 N -2.63 0.86 0.23 0.00 3.64 -1.95 1.23 116.57 117.94 2p0x h LYS 32 Ca -0.57 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2p0x h LYS 32 Cb 1.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2p0x h LYS 32 CO 0.43 0.57 -0.11 1.15 -2.27 0.00 0.00 179.45 179.22 2p0x h THR 33 N 0.89 0.00 -0.31 1.00 2.02 -2.00 -2.00 112.91 112.50 2p0x h THR 33 Ca 0.35 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.54 2p0x h THR 33 Cb 0.17 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2p0x h THR 33 CO -0.17 0.00 0.24 0.00 0.37 0.00 0.00 175.52 175.96 2p0x h PHE 35 N 0.00 -0.06 -0.64 0.00 3.57 0.16 3.97 116.94 123.94 2p0x h PHE 35 Ca 0.15 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2p0x h PHE 35 Cb 0.64 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2p0x h PHE 35 CO 0.00 -0.04 0.10 -0.91 -2.23 0.00 0.00 178.31 175.23 2p0x h ASN 36 N -0.06 1.02 -0.05 0.41 2.35 -0.44 -1.99 115.58 116.82 2p0x h ASN 36 Ca -0.00 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 2p0x h ASN 36 Cb 0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2p0x h ASN 36 CO 0.00 1.02 -0.22 -1.13 -1.65 0.00 0.00 177.43 175.46 2p0x h ASN 37 N 0.98 0.44 -0.31 5.81 -1.24 -0.39 -1.49 115.58 119.39 2p0x h ASN 37 Ca 0.19 -0.14 0.07 0.00 0.71 0.00 0.00 56.30 57.14 2p0x h ASN 37 Cb 0.44 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 2p0x h ASN 37 CO 0.01 0.66 0.22 0.77 -1.29 0.00 0.00 177.43 177.80 2p0x h SER 38 N 0.40 0.08 -0.02 1.15 4.64 0.84 1.39 113.55 122.03 2p0x h SER 38 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 2p0x h SER 38 Cb 0.60 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2p0x h SER 38 CO 0.04 0.05 -0.20 0.40 -0.87 0.00 0.00 176.83 176.25 2p0x h ILE 39 N 0.09 1.24 0.00 0.95 1.08 -0.94 5.40 117.51 125.33 2p0x h ILE 39 Ca 0.14 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2p0x h ILE 39 Cb 0.45 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2p0x h ILE 39 CO -0.01 0.35 -0.00 0.11 -0.69 0.00 0.00 178.15 177.91 2p0x h LYS 40 N 0.35 -0.00 0.15 2.37 1.57 0.11 -2.57 116.57 118.55 2p0x h LYS 40 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2p0x h LYS 40 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2p0x h LYS 40 CO 0.04 -0.00 -0.07 0.77 -0.57 0.00 0.00 179.45 179.61 2p0x h SER 41 N -0.02 -0.18 -0.07 0.86 0.02 0.13 -3.31 113.55 110.99 2p0x h SER 41 Ca -0.00 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2p0x h SER 41 Cb 0.00 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2p0x h SER 41 CO 0.00 0.24 0.01 1.23 -1.14 0.00 0.00 176.83 177.17 2p0x h GLY 42 N -0.63 0.12 0.00 -3.77 0.00 0.40 -3.45 103.07 95.75 2p0x h GLY 42 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2p0x h GLY 42 CO 0.03 0.08 0.00 1.34 0.00 0.00 0.00 176.54 177.99 2p0x n ASP 43 N -4.88 0.00 -2.76 0.19 2.03 1.58 -2.89 116.55 109.82 2p0x n ASP 43 Ca -0.07 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.15 2p0x n ASP 43 Cb 0.17 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.66 2p0x n ASP 43 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2p0x n ASP 44 N 0.03 -1.94 -3.71 1.67 9.92 -1.26 -4.87 116.55 116.39 2p0x n ASP 44 Ca 0.00 -3.41 -0.08 0.00 -0.53 0.00 0.00 54.79 50.77 2p0x n ASP 44 Cb 0.00 1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 41.98 2p0x n ASP 44 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2p0x s THR 45 N -0.03 0.00 0.00 -3.53 2.01 -1.14 -4.89 115.64 108.06 2p0x s THR 45 Ca 0.24 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2p0x s THR 45 Cb 0.32 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2p0x s THR 45 CO -0.06 0.00 0.00 -1.22 -0.69 0.00 0.00 174.62 172.65 2p0x n TYR 46 N -0.46 0.00 -2.18 4.92 4.01 -1.26 -4.82 117.16 117.36 2p0x n TYR 46 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 2p0x n TYR 46 Cb 0.60 -1.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 2p0x n TYR 46 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2p0x s HIS 47 N -0.60 1.94 -0.09 -0.72 -3.43 -1.26 -4.66 115.29 106.47 2p0x s HIS 47 Ca 0.00 0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 54.57 2p0x s HIS 47 Cb 0.00 -4.23 0.11 0.00 -1.43 0.00 0.00 32.58 27.03 2p0x s HIS 47 CO 0.00 -2.29 0.88 0.20 -2.00 0.00 0.00 174.74 171.53 2p0x s GLY 48 N 6.21 -0.40 0.06 -1.38 0.00 -1.26 -4.54 107.32 106.01 2p0x s GLY 48 Ca 0.63 1.60 -0.02 0.00 0.00 0.00 0.00 44.72 46.92 2p0x s GLY 48 CO 0.24 0.85 0.01 -2.38 0.00 0.00 0.00 173.10 171.83 2p0x s HIS 49 N -1.60 0.49 -0.08 1.90 -3.43 -1.14 -0.94 115.29 110.48 2p0x s HIS 49 Ca -0.03 -1.00 0.04 0.00 -0.80 0.00 0.00 55.06 53.27 2p0x s HIS 49 Cb -0.00 -0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 2p0x s HIS 49 CO 0.01 -0.42 -0.20 0.08 -2.00 0.00 0.00 174.74 172.22 2p0x s VAL 50 N -3.92 1.68 -0.12 -5.38 1.01 -0.69 -1.67 120.40 111.31 2p0x s VAL 50 Ca 0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2p0x s VAL 50 Cb 0.07 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2p0x s VAL 50 CO -0.09 0.48 -0.09 -1.81 0.00 0.00 0.00 175.10 173.59 2p0x s ASP 51 N 0.33 4.41 -0.12 3.32 1.11 -0.80 -0.23 116.67 124.69 2p0x s ASP 51 Ca -0.13 -0.20 -0.02 0.00 0.18 0.00 0.00 52.55 52.38 2p0x s ASP 51 Cb -0.16 -1.56 -0.03 0.00 1.07 0.00 0.00 42.92 42.24 2p0x s ASP 51 CO 0.06 0.21 -0.05 0.86 1.18 0.00 0.00 175.17 177.43 2p0x s TRP 52 N 0.10 3.01 0.25 4.23 -0.11 0.35 -0.19 118.94 126.59 2p0x s TRP 52 Ca -0.03 -0.15 0.08 0.00 1.22 0.00 0.00 56.10 57.22 2p0x s TRP 52 Cb -0.14 -1.86 -0.04 0.00 -1.50 0.00 0.00 33.47 29.93 2p0x s TRP 52 CO 0.04 0.14 0.12 -0.51 -4.62 0.00 0.00 176.95 172.11 2p0x s LEU 53 N -0.16 3.59 0.00 5.86 1.02 0.30 -0.21 118.68 129.08 2p0x s LEU 53 Ca 0.03 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.79 2p0x s LEU 53 Cb -0.13 -2.12 0.00 0.00 0.02 0.00 0.00 46.19 43.96 2p0x s LEU 53 CO 0.03 -0.02 0.81 1.15 0.02 0.00 0.00 176.35 178.34 2p0x n MET 54 N -1.05 0.56 0.00 1.70 0.00 -1.26 -3.03 117.12 114.04 2p0x n MET 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.63 2p0x n MET 54 Cb 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.58 2p0x n MET 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2p0x n TYR 55 N 1.18 0.00 -4.10 3.17 4.01 -1.26 -5.16 117.16 115.00 2p0x n TYR 55 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2p0x n TYR 55 Cb 0.28 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 2p0x n TYR 55 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0x s THR 56 N -0.96 0.17 0.09 -0.72 2.01 -1.17 -5.17 115.64 109.90 2p0x s THR 56 Ca 0.00 -1.81 0.05 0.00 0.31 0.00 0.00 61.69 60.24 2p0x s THR 56 Cb 0.00 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2p0x s THR 56 CO 0.00 -0.77 -0.01 -0.62 -0.69 0.00 0.00 174.62 172.52 2p0x s ASP 57 N -2.96 4.95 0.05 3.53 -1.08 -1.26 0.11 116.67 120.01 2p0x s ASP 57 Ca 0.13 -0.20 -0.01 0.00 -0.52 0.00 0.00 52.55 51.95 2p0x s ASP 57 Cb 0.08 -1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 40.34 2p0x s ASP 57 CO -0.06 0.18 -0.03 0.00 0.52 0.00 0.00 175.17 175.78 2p0x s ALA 58 N -1.30 0.51 0.00 3.66 0.00 0.73 -4.95 121.76 120.42 2p0x s ALA 58 Ca 0.25 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2p0x s ALA 58 Cb -0.12 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2p0x s ALA 58 CO 0.18 -0.36 -0.14 0.15 0.00 0.00 0.00 175.76 175.58 2p0x s LYS 59 N -3.88 1.09 -0.41 0.00 1.02 -1.26 -1.91 119.74 114.39 2p0x s LYS 59 Ca 0.07 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2p0x s LYS 59 Cb 0.08 -1.06 0.18 0.00 -0.52 0.00 0.00 37.83 36.50 2p0x s LYS 59 CO -0.10 0.29 0.37 -0.85 -0.92 0.00 0.00 175.35 174.13 2p0x n GLU 60 N 2.56 0.25 0.00 1.68 0.28 -0.67 -4.98 120.64 119.76 2p0x n GLU 60 Ca -0.15 -3.16 0.00 0.00 -0.16 0.00 0.00 57.16 53.69 2p0x n GLU 60 Cb 0.55 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.81 2p0x n GLU 60 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2p0x n PHE 61 N 2.67 0.00 -1.49 -1.84 3.01 -1.26 -2.88 117.46 115.67 2p0x n PHE 61 Ca 0.29 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.32 2p0x n PHE 61 Cb 0.49 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.86 2p0x n PHE 61 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2p0x n SER 62 N 0.00 1.29 -0.09 4.37 2.88 -1.26 -4.71 113.62 116.10 2p0x n SER 62 Ca 0.00 0.04 -0.16 0.00 -1.33 0.00 0.00 58.87 57.43 2p0x n SER 62 Cb 0.00 -1.19 -0.07 0.00 -0.75 0.00 0.00 64.21 62.20 2p0x n SER 62 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2p0x n SER 63 N 11.87 1.97 0.00 -3.46 3.41 -1.26 -5.21 113.62 120.95 2p0x n SER 63 Ca 0.52 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2p0x n SER 63 Cb 0.22 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2p0x n SER 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29