#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 0.27 -0.91 1.61 0.15 -1.26 -5.07 113.70 108.50 2p0x s SER 2 Ca 0.00 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.61 2p0x s SER 2 Cb 0.00 0.06 -0.24 0.00 -1.71 0.00 0.00 66.02 64.13 2p0x s SER 2 CO 0.00 -0.17 2.42 0.49 1.20 0.00 0.00 173.24 177.17 2p0x n PHE 3 N 4.53 0.54 0.08 3.44 3.01 -1.26 -4.09 117.46 123.71 2p0x n PHE 3 Ca -0.20 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2p0x n PHE 3 Cb 0.51 -1.73 0.00 0.00 -0.01 0.00 0.00 39.48 38.24 2p0x n PHE 3 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2p0x n ARG 4 N 7.47 0.00 -3.74 -1.08 5.12 -1.26 -5.12 116.66 118.05 2p0x n ARG 4 Ca 0.60 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.32 2p0x n ARG 4 Cb 0.19 0.00 -0.18 0.00 -1.16 0.00 0.00 32.46 31.32 2p0x n ARG 4 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2p0x s VAL 5 N -1.35 0.08 -0.47 1.55 -7.23 -1.26 -5.05 120.40 106.67 2p0x s VAL 5 Ca 0.00 0.28 0.09 0.00 -1.81 0.00 0.00 61.98 60.54 2p0x s VAL 5 Cb 0.00 -0.28 0.33 0.00 0.56 0.00 0.00 36.38 36.99 2p0x s VAL 5 CO 0.00 0.20 0.80 1.17 -0.31 0.00 0.00 175.10 176.95 2p0x n LYS 6 N 5.06 1.90 -0.92 4.82 4.81 -1.26 -4.99 118.16 127.58 2p0x n LYS 6 Ca -0.08 -4.00 -0.34 0.00 -0.87 0.00 0.00 58.31 53.01 2p0x n LYS 6 Cb 0.50 -1.90 0.03 0.00 0.02 0.00 0.00 35.03 33.68 2p0x n LYS 6 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2p0x n PRO 7 N 0.20 0.00 -0.90 1.64 -0.02 -1.26 -4.83 135.00 129.82 2p0x n PRO 7 Ca 0.27 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 2p0x n PRO 7 Cb 0.53 -0.92 0.05 0.00 -0.02 0.00 0.00 33.50 33.14 2p0x n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p0x n VAL 9 N -3.56 0.00 0.42 0.00 0.31 -1.26 -3.67 118.33 110.57 2p0x n VAL 9 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 2p0x n VAL 9 Cb 0.61 -0.53 0.43 0.00 -0.91 0.00 0.00 33.84 33.44 2p0x n VAL 9 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2p0x n VAL 10 N -1.66 0.90 0.00 2.52 0.31 -1.26 -3.68 118.33 115.45 2p0x n VAL 10 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2p0x n VAL 10 Cb 0.31 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 2p0x n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p0x n LYS 12 N -1.54 -0.61 0.00 0.00 5.02 -1.24 -4.52 118.16 115.26 2p0x n LYS 12 Ca 0.00 0.09 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 2p0x n LYS 12 Cb 0.23 -3.42 0.04 0.00 -0.02 0.00 0.00 35.03 31.86 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 -0.96 0.00 -4.17 -0.18 0.24 -1.26 -4.95 118.33 107.05 2p0x n VAL 13 Ca 0.00 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 2p0x n VAL 13 Cb 0.09 1.28 -0.10 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 -1.63 1.03 0.00 2.33 0.00 -1.26 -5.10 121.76 117.13 2p0x s ALA 14 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2p0x s ALA 14 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2p0x s ALA 14 CO 0.30 -0.14 0.37 -0.35 0.00 0.00 0.00 175.76 175.93 2p0x n PRO 15 N 0.25 0.00 0.00 0.00 -0.04 -1.26 -1.99 135.00 131.96 2p0x n PRO 15 Ca -0.14 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2p0x n PRO 15 Cb 0.59 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2p0x n PRO 15 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p0x n ARG 16 N -1.62 0.00 -0.42 0.54 1.74 -1.26 0.14 116.66 115.78 2p0x n ARG 16 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2p0x n ARG 16 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2p0x n ARG 16 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2p0x n ASP 17 N 0.00 -0.25 -4.06 0.55 2.03 -1.23 -4.08 116.55 109.51 2p0x n ASP 17 Ca 0.00 0.34 -0.07 0.00 0.52 0.00 0.00 54.79 55.57 2p0x n ASP 17 Cb 0.00 -0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.02 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 2p0x s TRP 18 N -0.20 0.45 0.07 -0.67 -2.14 -1.26 -0.05 118.94 115.14 2p0x s TRP 18 Ca 0.21 -0.94 -0.02 0.00 2.66 0.00 0.00 56.10 58.01 2p0x s TRP 18 Cb -0.31 -0.34 -0.03 0.00 -3.10 0.00 0.00 33.47 29.69 2p0x s TRP 18 CO 0.17 -0.35 0.02 0.50 -2.66 0.00 0.00 176.95 174.63 2p0x s ARG 19 N -3.40 0.69 -0.17 3.25 3.52 0.45 -4.95 118.95 118.33 2p0x s ARG 19 Ca 0.02 -1.21 -0.04 0.00 -0.13 0.00 0.00 55.73 54.37 2p0x s ARG 19 Cb 0.04 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 2p0x s ARG 19 CO -0.08 -0.16 -0.02 0.54 -0.81 0.00 0.00 175.30 174.77 2p0x s VAL 20 N -3.93 3.97 -0.29 7.11 0.11 -1.26 0.18 120.40 126.29 2p0x s VAL 20 Ca 0.09 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2p0x s VAL 20 Cb 0.07 -2.76 0.09 0.00 -1.53 0.00 0.00 36.38 32.26 2p0x s VAL 20 CO -0.09 0.47 0.09 -0.75 -3.33 0.00 0.00 175.10 171.50 2p0x s LYS 21 N 0.59 0.60 7.42 1.54 2.20 0.45 -4.92 119.74 127.62 2p0x s LYS 21 Ca -0.02 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2p0x s LYS 21 Cb -0.14 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 2p0x s LYS 21 CO 0.02 -0.94 0.00 0.09 -0.36 0.00 0.00 175.35 174.17 2p0x n ASN 22 N 4.96 0.00 -0.21 1.43 3.02 -1.26 -1.15 115.26 122.06 2p0x n ASN 22 Ca -0.04 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.66 2p0x n ASN 22 Cb 0.43 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.32 2p0x n ASN 22 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2p0x n ARG 23 N 13.82 1.20 -4.26 3.52 1.74 -1.26 -4.85 116.66 126.57 2p0x n ARG 23 Ca 0.00 -0.42 -0.25 0.00 -0.77 0.00 0.00 57.85 56.41 2p0x n ARG 23 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 2p0x n ARG 23 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2p0x s HIS 24 N -2.09 2.72 -0.03 -1.55 3.76 -0.30 -3.90 115.29 113.90 2p0x s HIS 24 Ca 0.40 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 2p0x s HIS 24 Cb 0.21 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 2p0x s HIS 24 CO 0.38 0.55 -0.11 -0.51 -0.85 0.00 0.00 174.74 174.20 2p0x s LEU 25 N -3.18 2.95 -0.20 0.89 1.43 -0.89 -0.41 118.68 119.27 2p0x s LEU 25 Ca 0.28 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2p0x s LEU 25 Cb -0.08 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2p0x s LEU 25 CO 0.18 0.33 -0.02 -0.60 0.23 0.00 0.00 176.35 176.47 2p0x s ARG 26 N -0.97 3.54 0.20 1.70 3.52 0.48 -0.53 118.95 126.89 2p0x s ARG 26 Ca 0.13 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.25 2p0x s ARG 26 Cb -0.11 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 2p0x s ARG 26 CO 0.03 -0.01 0.05 0.42 -0.81 0.00 0.00 175.30 174.97 2p0x s ILE 27 N 1.03 3.89 0.28 4.11 1.09 0.60 0.17 121.20 132.37 2p0x s ILE 27 Ca 0.01 -1.46 0.10 0.00 -1.10 0.00 0.00 60.65 58.21 2p0x s ILE 27 Cb -0.14 -3.00 -0.05 0.00 -1.06 0.00 0.00 42.46 38.21 2p0x s ILE 27 CO 0.01 -0.19 -0.04 -0.31 -0.10 0.00 0.00 174.94 174.31 2p0x s TYR 28 N -1.90 2.60 -0.82 3.97 2.02142.41 -0.93 117.35 264.70 2p0x s TYR 28 Ca 0.29 -0.27 0.25 0.00 -0.37 0.00 0.00 57.07 56.97 2p0x s TYR 28 Cb -0.09 -1.20 0.95 0.00 -0.40 0.00 0.00 41.96 41.23 2p0x s TYR 28 CO 0.20 0.62 1.76 0.09 -1.57 0.00 0.00 175.55 176.66 2p0x n ASN 29 N -0.86 0.39 -3.70 2.29 3.02 0.10 -4.57 115.26 111.94 2p0x n ASN 29 Ca -0.06 0.55 -0.13 0.00 -0.03 0.00 0.00 54.58 54.92 2p0x n ASN 29 Cb 0.60 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 2p0x n ASN 29 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2p0x s MET 30 N -3.09 0.86 1.25 3.52 1.00 -1.26 -4.73 119.30 116.85 2p0x s MET 30 Ca 0.10 -0.37 -0.19 0.00 0.00 0.00 0.00 55.69 55.23 2p0x s MET 30 Cb 0.13 0.38 0.30 0.00 0.00 0.00 0.00 34.83 35.65 2p0x s MET 30 CO 0.48 -0.28 1.04 0.00 0.00 0.00 0.00 175.02 176.26 2p0x h LYS 32 N -2.78 1.12 0.16 0.00 3.64 -1.96 0.34 116.57 117.08 2p0x h LYS 32 Ca -0.48 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.62 2p0x h LYS 32 Cb 1.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2p0x h LYS 32 CO 0.38 0.99 -0.08 1.15 -2.27 0.00 0.00 179.45 179.62 2p0x h THR 33 N 1.05 0.00 -0.49 1.00 2.02 -2.00 -2.19 112.91 112.30 2p0x h THR 33 Ca 0.22 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 67.48 2p0x h THR 33 Cb 0.37 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2p0x h THR 33 CO 0.00 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.30 2p0x h PHE 35 N 0.00 -0.17 -0.59 0.00 3.57 -0.22 4.36 116.94 123.89 2p0x h PHE 35 Ca 0.23 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2p0x h PHE 35 Cb 1.04 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2p0x h PHE 35 CO 0.00 -0.09 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.08 2p0x h ASN 36 N -0.21 1.02 -0.34 0.41 2.35 -0.36 -2.44 115.58 116.01 2p0x h ASN 36 Ca -0.02 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 2p0x h ASN 36 Cb 0.17 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2p0x h ASN 36 CO 0.03 1.08 -0.06 -1.13 -1.65 0.00 0.00 177.43 175.70 2p0x h ASN 37 N 0.93 0.72 -0.43 5.81 -0.73 -0.18 -1.45 115.58 120.25 2p0x h ASN 37 Ca 0.17 -0.19 0.12 0.00 1.87 0.00 0.00 56.30 58.27 2p0x h ASN 37 Cb 0.56 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2p0x h ASN 37 CO 0.03 0.82 0.31 0.77 -0.37 0.00 0.00 177.43 179.00 2p0x h SER 38 N 0.68 0.00 0.20 1.15 4.64 0.90 2.27 113.55 123.39 2p0x h SER 38 Ca 0.13 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2p0x h SER 38 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2p0x h SER 38 CO 0.03 0.00 -0.26 0.40 -0.87 0.00 0.00 176.83 176.13 2p0x h ILE 39 N 0.00 1.21 0.00 0.95 1.08 -1.06 4.55 117.51 124.25 2p0x h ILE 39 Ca 0.20 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2p0x h ILE 39 Cb 0.82 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2p0x h ILE 39 CO -0.00 0.30 -0.00 0.11 -0.69 0.00 0.00 178.15 177.86 2p0x h LYS 40 N 0.10 -0.00 0.14 2.37 1.57 0.34 -2.47 116.57 118.62 2p0x h LYS 40 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2p0x h LYS 40 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 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 -0.05 -0.16 -0.12 0.86 0.02 0.57 -3.29 113.55 111.37 2p0x h SER 41 Ca -0.00 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2p0x h SER 41 Cb 0.00 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2p0x h SER 41 CO 0.00 0.24 0.02 1.23 -1.14 0.00 0.00 176.83 177.17 2p0x h GLY 42 N -0.59 0.22 0.00 -3.77 0.00 0.74 -3.44 103.07 96.22 2p0x h GLY 42 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2p0x h GLY 42 CO 0.03 0.14 0.00 1.34 0.00 0.00 0.00 176.54 178.05 2p0x n ASP 43 N -4.82 0.00 0.00 0.19 2.03 0.93 -4.14 116.55 110.73 2p0x n ASP 43 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2p0x n ASP 43 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 0.00 0.00 0.00 1.67 8.00 -1.26 -4.84 116.55 120.12 2p0x n ASP 44 Ca 0.00 0.81 0.00 0.00 0.71 0.00 0.00 54.79 56.31 2p0x n ASP 44 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2p0x n ASP 44 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2p0x n THR 45 N -2.44 0.00 -0.39 -3.53 5.66 -1.26 -4.97 114.28 107.35 2p0x n THR 45 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2p0x n THR 45 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2p0x n THR 45 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2p0x n TYR 46 N -0.84 -0.27 -0.62 1.09 4.02 -1.26 -4.81 117.16 114.46 2p0x n TYR 46 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 2p0x n TYR 46 Cb 0.00 -0.82 0.24 0.00 -0.02 0.00 0.00 39.34 38.74 2p0x n TYR 46 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2p0x s HIS 47 N -0.42 1.44 0.00 -0.72 3.76 -1.26 -4.86 115.29 113.23 2p0x s HIS 47 Ca 0.00 1.17 0.00 0.00 -0.15 0.00 0.00 55.06 56.08 2p0x s HIS 47 Cb 0.00 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2p0x s HIS 47 CO 0.00 -3.76 0.00 0.41 -0.85 0.00 0.00 174.74 170.54 2p0x n GLY 48 N 0.55 4.58 3.11 -2.22 0.00 -1.26 -4.96 105.19 104.99 2p0x n GLY 48 Ca 0.03 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 2p0x n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2p0x s HIS 49 N -0.77 0.43 0.10 1.61 -3.43 -1.23 -1.74 115.29 110.26 2p0x s HIS 49 Ca 0.00 -0.94 0.09 0.00 -0.80 0.00 0.00 55.06 53.41 2p0x s HIS 49 Cb 0.00 -0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 2p0x s HIS 49 CO 0.00 -0.40 -0.20 0.08 -2.00 0.00 0.00 174.74 172.22 2p0x s VAL 50 N -3.79 2.71 0.01 -5.38 1.01 -0.11 -2.18 120.40 112.68 2p0x s VAL 50 Ca 0.05 -1.46 0.06 0.00 0.00 0.00 0.00 61.98 60.63 2p0x s VAL 50 Cb 0.07 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2p0x s VAL 50 CO -0.10 0.17 -0.17 -1.81 0.00 0.00 0.00 175.10 173.19 2p0x s ASP 51 N -1.92 2.00 -0.07 3.32 1.11 -0.35 -0.29 116.67 120.46 2p0x s ASP 51 Ca 0.16 -0.38 0.01 0.00 0.18 0.00 0.00 52.55 52.53 2p0x s ASP 51 Cb -0.10 -0.19 -0.03 0.00 1.07 0.00 0.00 42.92 43.67 2p0x s ASP 51 CO 0.08 0.16 -0.10 0.26 1.18 0.00 0.00 175.17 176.75 2p0x s TRP 52 N -0.58 2.85 0.20 4.23 0.52 0.31 -0.18 118.94 126.29 2p0x s TRP 52 Ca 0.06 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.16 2p0x s TRP 52 Cb -0.07 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2p0x s TRP 52 CO 0.00 0.23 -0.02 -1.17 0.02 0.00 0.00 176.95 176.01 2p0x s LEU 53 N -0.64 3.21 0.00 2.99 0.20 0.20 -2.09 118.68 122.55 2p0x s LEU 53 Ca 0.10 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.43 2p0x s LEU 53 Cb -0.11 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 2p0x s LEU 53 CO 0.01 0.07 0.68 1.15 -0.29 0.00 0.00 176.35 177.98 2p0x n MET 54 N -0.25 0.00 0.00 1.98 0.00 -1.25 -2.60 117.12 114.99 2p0x n MET 54 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2p0x n MET 54 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.17 2p0x n MET 54 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 175.97 178.45 2p0x n TYR 55 N -1.18 0.00 -4.17 3.17 4.11 -1.26 -5.15 117.16 112.68 2p0x n TYR 55 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 2p0x n TYR 55 Cb 0.11 0.08 -0.10 0.00 -0.00 0.00 0.00 39.34 39.42 2p0x n TYR 55 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2p0x s THR 56 N 0.00 0.42 -0.06 -3.48 2.01 -1.07 -5.16 115.64 108.29 2p0x s THR 56 Ca 0.00 -1.92 0.02 0.00 0.31 0.00 0.00 61.69 60.10 2p0x s THR 56 Cb 0.00 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.61 2p0x s THR 56 CO 0.00 -0.64 -0.12 1.51 -0.69 0.00 0.00 174.62 174.68 2p0x s ASP 57 N -3.07 1.75 0.18 3.53 -4.77 -1.26 0.58 116.67 113.62 2p0x s ASP 57 Ca 0.19 -0.29 0.11 0.00 -3.30 0.00 0.00 52.55 49.25 2p0x s ASP 57 Cb 0.07 -0.78 -0.04 0.00 -1.09 0.00 0.00 42.92 41.07 2p0x s ASP 57 CO -0.01 0.04 -0.23 0.00 0.70 0.00 0.00 175.17 175.67 2p0x s ALA 58 N 0.61 2.40 0.00 2.11 0.00 0.74 -4.98 121.76 122.64 2p0x s ALA 58 Ca -0.14 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 2p0x s ALA 58 Cb -0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2p0x s ALA 58 CO 0.03 0.41 -0.00 0.15 0.00 0.00 0.00 175.76 176.35 2p0x s LYS 59 N -2.58 0.06 -0.48 0.00 1.02 -1.26 -1.21 119.74 115.28 2p0x s LYS 59 Ca 0.18 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.12 2p0x s LYS 59 Cb -0.08 0.02 0.19 0.00 -0.52 0.00 0.00 37.83 37.44 2p0x s LYS 59 CO 0.09 -0.01 0.44 -0.85 -0.92 0.00 0.00 175.35 174.10 2p0x n GLU 60 N 2.82 0.81 0.00 1.68 -0.00 -0.93 -4.59 120.64 120.43 2p0x n GLU 60 Ca -0.14 -3.57 0.00 0.00 -0.00 0.00 0.00 57.16 53.45 2p0x n GLU 60 Cb 0.59 -1.75 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2p0x n GLU 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2p0x n PHE 61 N 2.21 0.00 0.18 -1.84 7.35 -1.26 -3.50 117.46 120.60 2p0x n PHE 61 Ca 0.26 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.99 2p0x n PHE 61 Cb 0.46 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 2p0x n PHE 61 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2p0x n SER 62 N 0.00 1.70 -2.40 -2.13 2.88 -1.26 -5.03 113.62 107.39 2p0x n SER 62 Ca 0.00 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2p0x n SER 62 Cb 0.00 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 2p0x n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2p0x n SER 63 N -1.43 -0.03 -0.76 -3.46 7.64 -1.26 -5.18 113.62 109.14 2p0x n SER 63 Ca 0.00 -0.61 0.09 0.00 1.01 0.00 0.00 58.87 59.37 2p0x n SER 63 Cb 0.14 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.42 2p0x n SER 63 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10