#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0x n SER 2 N 0.00 0.00 -3.59 1.61 7.64 -1.26 -5.05 113.62 112.97 2p0x n SER 2 Ca 0.00 0.48 -0.09 0.00 1.01 0.00 0.00 58.87 60.27 2p0x n SER 2 Cb 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 2p0x n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2p0x s PHE 3 N -1.01 -0.36 0.00 1.43 0.08 -1.26 -5.13 117.98 111.72 2p0x s PHE 3 Ca 0.00 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2p0x s PHE 3 Cb 0.00 0.60 0.00 0.00 -0.57 0.00 0.00 43.02 43.05 2p0x s PHE 3 CO 0.00 -0.89 0.00 -2.13 -0.10 0.00 0.00 175.22 172.10 2p0x n ARG 4 N -0.39 0.00 0.00 0.44 3.00 -1.26 -4.85 116.66 113.61 2p0x n ARG 4 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 2p0x n ARG 4 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.08 2p0x n ARG 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2p0x n VAL 5 N 0.00 0.00 -3.56 5.15 0.31 -1.26 -4.22 118.33 114.75 2p0x n VAL 5 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2p0x n VAL 5 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2p0x n VAL 5 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2p0x n LYS 6 N -1.57 -0.96 -0.86 5.55 5.02 -1.26 -4.86 118.16 119.21 2p0x n LYS 6 Ca 0.00 0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 2p0x n LYS 6 Cb 0.00 -1.56 0.19 0.00 -0.02 0.00 0.00 35.03 33.64 2p0x n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2p0x s PRO 7 N -4.73 0.38 0.97 1.97 0.04 -1.26 -4.95 135.00 127.42 2p0x s PRO 7 Ca 0.08 0.97 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 2p0x s PRO 7 Cb -0.04 -1.70 -0.19 0.00 0.04 0.00 0.00 34.50 32.61 2p0x s PRO 7 CO 0.66 -2.88 -1.49 0.00 0.04 0.00 0.00 177.00 173.33 2p0x n VAL 9 N -3.35 0.00 0.66 0.00 0.24 -1.26 -3.83 118.33 110.80 2p0x n VAL 9 Ca -0.02 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.38 2p0x n VAL 9 Cb 0.73 -0.04 0.42 0.00 -1.47 0.00 0.00 33.84 33.48 2p0x n VAL 9 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2p0x n VAL 10 N -0.66 0.65 0.00 3.34 0.31 -1.26 -3.89 118.33 116.82 2p0x n VAL 10 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2p0x n VAL 10 Cb 0.06 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 -1.02 -1.31 0.00 0.00 5.02 -1.25 -4.46 118.16 115.14 2p0x n LYS 12 Ca 0.00 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 2p0x n LYS 12 Cb 0.06 -3.02 0.03 0.00 -0.02 0.00 0.00 35.03 32.09 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 -0.51 0.00 -4.18 -0.18 0.24 -1.26 -4.97 118.33 107.47 2p0x n VAL 13 Ca 0.00 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 2p0x n VAL 13 Cb 0.12 1.27 -0.10 0.00 -1.47 0.00 0.00 33.84 33.66 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 -1.65 1.06 0.00 2.33 0.00 -1.26 -5.11 121.76 117.14 2p0x s ALA 14 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2p0x s ALA 14 Cb 0.13 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2p0x s ALA 14 CO 0.31 -0.14 0.16 -0.35 0.00 0.00 0.00 175.76 175.74 2p0x n PRO 15 N 0.19 0.00 0.00 0.00 -0.04 -1.26 -3.33 135.00 130.57 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 0.60 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.61 0.00 -0.82 0.54 1.74 -1.26 -1.51 116.66 113.74 2p0x n ARG 16 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 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 -1.25 -4.06 0.55 -0.08 -1.25 -4.26 116.55 106.19 2p0x n ASP 17 Ca 0.00 0.59 -0.07 0.00 -1.51 0.00 0.00 54.79 53.80 2p0x n ASP 17 Cb 0.00 -0.56 -0.10 0.00 2.34 0.00 0.00 41.12 42.80 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 2p0x s TRP 18 N -0.81 0.48 0.06 -0.67 -2.14 -1.26 -1.35 118.94 113.24 2p0x s TRP 18 Ca 0.38 -1.01 -0.04 0.00 2.66 0.00 0.00 56.10 58.09 2p0x s TRP 18 Cb -0.48 -0.35 -0.02 0.00 -3.10 0.00 0.00 33.47 29.52 2p0x s TRP 18 CO 0.36 -0.39 0.06 0.50 -2.66 0.00 0.00 176.95 174.82 2p0x s ARG 19 N -3.84 0.67 -0.22 3.25 3.52 0.55 -4.98 118.95 117.91 2p0x s ARG 19 Ca 0.06 -1.05 -0.07 0.00 -0.13 0.00 0.00 55.73 54.55 2p0x s ARG 19 Cb 0.07 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2p0x s ARG 19 CO -0.10 -0.16 0.05 0.14 -0.81 0.00 0.00 175.30 174.42 2p0x s VAL 20 N -3.63 4.37 -0.00 7.11 -7.23 -1.26 -0.07 120.40 119.69 2p0x s VAL 20 Ca 0.04 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 2p0x s VAL 20 Cb 0.05 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 2p0x s VAL 20 CO -0.09 0.40 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.29 2p0x s LYS 21 N 1.08 0.40 -0.04 4.82 2.20 0.59 -4.91 119.74 123.89 2p0x s LYS 21 Ca 0.04 -0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.44 2p0x s LYS 21 Cb -0.14 -0.39 0.01 0.00 -1.51 0.00 0.00 37.83 35.79 2p0x s LYS 21 CO 0.03 0.11 0.06 0.09 -0.36 0.00 0.00 175.35 175.27 2p0x n ASN 22 N 2.96 -0.80 0.00 1.43 3.02 -1.26 0.46 115.26 121.07 2p0x n ASN 22 Ca -0.13 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2p0x n ASN 22 Cb 0.58 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.21 -0.44 -4.29 3.52 1.74 -1.26 -4.81 116.66 111.34 2p0x n ARG 23 Ca -0.01 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.86 2p0x n ARG 23 Cb 0.08 -2.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.07 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 -0.32 2.69 -0.26 -1.55 3.76 1.64 -3.72 115.29 117.53 2p0x s HIS 24 Ca 0.00 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.64 2p0x s HIS 24 Cb 0.00 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 2p0x s HIS 24 CO 0.00 0.58 0.03 -0.51 -0.85 0.00 0.00 174.74 174.00 2p0x s LEU 25 N -3.35 3.41 -0.24 0.89 2.01 0.19 0.22 118.68 121.80 2p0x s LEU 25 Ca 0.29 -0.47 -0.15 0.00 0.01 0.00 0.00 54.13 53.81 2p0x s LEU 25 Cb -0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.25 2p0x s LEU 25 CO 0.18 -0.09 0.38 -0.60 1.01 0.00 0.00 176.35 177.23 2p0x s ARG 26 N 1.52 4.09 0.34 1.70 3.52 0.89 0.14 118.95 131.14 2p0x s ARG 26 Ca 0.05 0.10 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 2p0x s ARG 26 Cb -0.16 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2p0x s ARG 26 CO 0.01 -0.16 0.23 0.42 -0.81 0.00 0.00 175.30 174.99 2p0x s ILE 27 N 1.70 3.34 0.28 4.11 1.09 0.84 -0.33 121.20 132.23 2p0x s ILE 27 Ca 0.16 -1.49 0.12 0.00 -1.10 0.00 0.00 60.65 58.34 2p0x s ILE 27 Cb -0.15 -3.11 -0.05 0.00 -1.06 0.00 0.00 42.46 38.09 2p0x s ILE 27 CO 0.09 -0.18 -0.20 -0.31 -0.10 0.00 0.00 174.94 174.24 2p0x s TYR 28 N -2.35 2.30 -2.01 3.97 2.02 76.84 0.10 117.35 198.22 2p0x s TYR 28 Ca 0.40 -0.33 0.09 0.00 -0.37 0.00 0.00 57.07 56.86 2p0x s TYR 28 Cb -0.05 -1.00 0.27 0.00 -0.40 0.00 0.00 41.96 40.79 2p0x s TYR 28 CO 0.25 0.71 1.22 0.09 -1.57 0.00 0.00 175.55 176.25 2p0x n ASN 29 N -0.61 1.48 -3.61 2.29 3.02 -0.78 -4.66 115.26 112.38 2p0x n ASN 29 Ca -0.05 -1.99 -0.13 0.00 -0.03 0.00 0.00 54.58 52.38 2p0x n ASN 29 Cb 0.60 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.64 0.76 1.19 3.52 -1.94 -1.26 -4.75 119.30 115.19 2p0x s MET 30 Ca 0.19 0.72 -0.20 0.00 -1.71 0.00 0.00 55.69 54.69 2p0x s MET 30 Cb 0.10 0.37 0.30 0.00 2.01 0.00 0.00 34.83 37.61 2p0x s MET 30 CO 0.13 -0.13 0.84 0.00 -0.01 0.00 0.00 175.02 175.85 2p0x h LYS 32 N 0.00 0.92 0.61 0.00 3.64 -1.96 0.41 116.57 120.19 2p0x h LYS 32 Ca -0.35 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 58.75 2p0x h LYS 32 Cb 1.13 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2p0x h LYS 32 CO 0.22 0.88 -0.30 1.15 -2.27 0.00 0.00 179.45 179.14 2p0x h THR 33 N 0.81 0.00 0.00 1.00 2.02 -2.00 -2.14 112.91 112.60 2p0x h THR 33 Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2p0x h THR 33 Cb 0.41 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2p0x h THR 33 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 2p0x h PHE 35 N 0.00 0.61 -0.58 0.00 3.57 -0.05 1.85 116.94 122.34 2p0x h PHE 35 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 2p0x h PHE 35 Cb 0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2p0x h PHE 35 CO 0.00 0.38 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.53 2p0x h ASN 36 N 0.66 1.02 -0.30 0.41 2.35 -0.50 -2.47 115.58 116.75 2p0x h ASN 36 Ca 0.18 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 2p0x h ASN 36 Cb -0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 2p0x h ASN 36 CO -0.04 1.09 -0.09 -1.13 -1.65 0.00 0.00 177.43 175.61 2p0x h ASN 37 N 0.93 0.69 -0.51 5.81 -1.24 -0.22 -1.25 115.58 119.80 2p0x h ASN 37 Ca 0.16 -0.19 0.14 0.00 0.71 0.00 0.00 56.30 57.12 2p0x h ASN 37 Cb 0.58 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 2p0x h ASN 37 CO 0.03 0.82 0.36 0.77 -1.29 0.00 0.00 177.43 178.13 2p0x h SER 38 N 0.65 0.03 0.35 1.15 4.64 0.33 2.34 113.55 123.04 2p0x h SER 38 Ca 0.12 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2p0x h SER 38 Cb 0.54 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2p0x h SER 38 CO 0.03 0.02 -0.28 0.40 -0.87 0.00 0.00 176.83 176.13 2p0x h ILE 39 N 0.03 1.09 0.01 0.95 2.04 -1.02 3.88 117.51 124.50 2p0x h ILE 39 Ca 0.24 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2p0x h ILE 39 Cb 0.92 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2p0x h ILE 39 CO -0.01 0.28 -0.00 0.11 0.00 0.00 0.00 178.15 178.52 2p0x h LYS 40 N 0.00 -0.01 0.19 2.37 1.79 0.38 -2.27 116.57 119.01 2p0x h LYS 40 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2p0x h LYS 40 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2p0x h LYS 40 CO 0.04 -0.01 -0.09 0.77 -1.08 0.00 0.00 179.45 179.08 2p0x h SER 41 N -0.11 -0.21 0.06 0.86 0.02 -0.42 -3.31 113.55 110.45 2p0x h SER 41 Ca -0.00 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2p0x h SER 41 Cb 0.01 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2p0x h SER 41 CO 0.00 0.18 -0.03 1.23 -1.14 0.00 0.00 176.83 177.08 2p0x h GLY 42 N -0.65 -0.09 0.00 -3.77 0.00 0.63 -3.44 103.07 95.75 2p0x h GLY 42 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2p0x h GLY 42 CO 0.04 -0.03 0.00 1.34 0.00 0.00 0.00 176.54 177.89 2p0x n ASP 43 N -4.99 0.00 -3.39 0.19 -0.08 0.63 -3.47 116.55 105.44 2p0x n ASP 43 Ca -0.08 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.94 2p0x n ASP 43 Cb 0.18 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.56 2p0x n ASP 43 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2p0x n ASP 44 N 0.00 1.59 0.00 1.67 -0.08 -1.26 -4.79 116.55 113.68 2p0x n ASP 44 Ca 0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2p0x n ASP 44 Cb 0.00 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.81 2p0x n ASP 44 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2p0x n THR 45 N 1.54 0.00 -0.31 5.18 -1.04 -1.23 -4.98 114.28 113.44 2p0x n THR 45 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 2p0x n THR 45 Cb 0.46 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 2p0x n THR 45 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2p0x n TYR 46 N -0.61 0.00 0.00 -1.42 4.02 -1.26 -4.76 117.16 113.14 2p0x n TYR 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2p0x n TYR 46 Cb 0.06 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 2p0x n TYR 46 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2p0x n HIS 47 N -0.88 0.00 -4.32 -0.72 1.44 -1.26 -4.85 115.22 104.63 2p0x n HIS 47 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2p0x n HIS 47 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 2p0x n HIS 47 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2p0x s GLY 48 N 0.00 2.00 0.07 -1.39 0.00 -1.07 -4.50 107.32 102.42 2p0x s GLY 48 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 2p0x s GLY 48 CO 0.00 -1.56 -0.00 -2.38 0.00 0.00 0.00 173.10 169.16 2p0x s HIS 49 N -3.66 0.55 -0.12 1.90 -3.43 -1.03 -2.04 115.29 107.46 2p0x s HIS 49 Ca 0.37 -1.07 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 2p0x s HIS 49 Cb 0.05 -0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 30.80 2p0x s HIS 49 CO 0.18 -0.42 -0.13 0.08 -2.00 0.00 0.00 174.74 172.45 2p0x s VAL 50 N -3.94 3.06 -0.15 -5.38 1.01 0.29 -1.94 120.40 113.35 2p0x s VAL 50 Ca 0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2p0x s VAL 50 Cb 0.08 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2p0x s VAL 50 CO -0.08 0.53 -0.11 -1.81 0.00 0.00 0.00 175.10 173.63 2p0x s ASP 51 N 0.26 4.12 -0.10 3.32 1.11 -0.39 0.29 116.67 125.28 2p0x s ASP 51 Ca -0.09 -0.33 -0.01 0.00 0.18 0.00 0.00 52.55 52.30 2p0x s ASP 51 Cb -0.15 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 2p0x s ASP 51 CO 0.05 0.13 -0.05 0.86 1.18 0.00 0.00 175.17 177.34 2p0x s TRP 52 N 0.59 2.99 0.26 4.23 -0.11 0.36 0.26 118.94 127.52 2p0x s TRP 52 Ca -0.07 -0.09 0.08 0.00 1.22 0.00 0.00 56.10 57.24 2p0x s TRP 52 Cb -0.15 -1.81 -0.04 0.00 -1.50 0.00 0.00 33.47 29.97 2p0x s TRP 52 CO 0.03 0.21 0.13 -0.51 -4.62 0.00 0.00 176.95 172.18 2p0x s LEU 53 N -0.38 3.58 0.00 5.86 1.02 0.59 0.52 118.68 129.87 2p0x s LEU 53 Ca 0.06 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.80 2p0x s LEU 53 Cb -0.12 -2.11 0.00 0.00 0.02 0.00 0.00 46.19 43.98 2p0x s LEU 53 CO 0.02 -0.04 0.85 1.15 0.02 0.00 0.00 176.35 178.35 2p0x n MET 54 N -1.08 0.62 0.00 1.70 0.00 -1.24 -3.03 117.12 114.08 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 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.62 2p0x n MET 54 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2p0x n TYR 55 N 1.04 0.00 -4.10 3.17 4.19 -1.26 -5.16 117.16 115.05 2p0x n TYR 55 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 2p0x n TYR 55 Cb 0.31 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.04 2p0x n TYR 55 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2p0x s THR 56 N -0.54 0.16 0.01 2.97 2.01 -1.17 -5.16 115.64 113.93 2p0x s THR 56 Ca 0.00 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.23 2p0x s THR 56 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2p0x s THR 56 CO 0.00 -0.74 -0.02 -0.62 -0.69 0.00 0.00 174.62 172.55 2p0x s ASP 57 N -2.97 4.93 0.17 3.53 -1.08 -1.26 0.22 116.67 120.21 2p0x s ASP 57 Ca 0.14 -0.08 0.08 0.00 -0.52 0.00 0.00 52.55 52.17 2p0x s ASP 57 Cb 0.07 -1.22 -0.04 0.00 -1.46 0.00 0.00 42.92 40.27 2p0x s ASP 57 CO -0.05 0.27 -0.16 0.00 0.52 0.00 0.00 175.17 175.75 2p0x s ALA 58 N -1.09 1.90 -0.01 3.66 0.00 0.71 -4.92 121.76 122.02 2p0x s ALA 58 Ca 0.19 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 2p0x s ALA 58 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2p0x s ALA 58 CO 0.10 0.13 0.01 0.15 0.00 0.00 0.00 175.76 176.16 2p0x s LYS 59 N -3.16 0.01 -0.41 0.00 1.02 -1.26 -1.26 119.74 114.68 2p0x s LYS 59 Ca 0.17 0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.25 2p0x s LYS 59 Cb -0.03 -0.02 0.18 0.00 -0.52 0.00 0.00 37.83 37.44 2p0x s LYS 59 CO 0.06 -0.02 0.38 -0.85 -0.92 0.00 0.00 175.35 174.00 2p0x n GLU 60 N 3.21 0.28 -0.15 1.68 0.28 -0.82 -4.97 120.64 120.15 2p0x n GLU 60 Ca -0.14 -3.14 -0.04 0.00 -0.16 0.00 0.00 57.16 53.68 2p0x n GLU 60 Cb 0.59 -1.58 0.05 0.00 1.43 0.00 0.00 31.44 31.93 2p0x n GLU 60 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2p0x h PHE 61 N 5.32 0.31 0.00 -1.84 3.57 -1.90 -2.73 116.94 119.67 2p0x h PHE 61 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2p0x h PHE 61 Cb 0.91 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2p0x h PHE 61 CO 0.27 0.11 0.00 0.43 -2.23 0.00 0.00 178.31 176.89 2p0x n SER 62 N -5.00 0.00 -1.73 0.41 7.64 -1.26 -2.61 113.62 111.07 2p0x n SER 62 Ca 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.92 2p0x n SER 62 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2p0x n SER 62 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2p0x n SER 63 N 0.00 -3.15 0.00 6.43 2.88 -1.26 -5.01 113.62 113.51 2p0x n SER 63 Ca 0.00 0.27 0.10 0.00 -1.33 0.00 0.00 58.87 57.92 2p0x n SER 63 Cb 0.00 -1.83 0.61 0.00 -0.75 0.00 0.00 64.21 62.24 2p0x n SER 63 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88