#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 s SER 2 N 0.00 0.45 -0.37 1.61 0.01 -1.26 -5.13 113.70 109.02 1x65 s SER 2 Ca 0.00 -0.18 -0.18 0.00 1.31 0.00 0.00 55.95 56.90 1x65 s SER 2 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1x65 s SER 2 CO 0.00 -0.03 0.50 -0.94 0.41 0.00 0.00 173.24 173.18 1x65 s SER 3 N -0.44 6.28 0.30 2.44 1.04 -1.26 -4.86 113.70 117.21 1x65 s SER 3 Ca -0.02 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1x65 s SER 3 Cb -0.03 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1x65 s SER 3 CO -0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1x65 n GLY 4 N 4.89 1.26 3.51 7.32 0.00 -1.26 -4.91 105.19 116.00 1x65 n GLY 4 Ca -0.05 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x65 n SER 5 N 2.67 0.78 0.02 1.61 3.41 -1.26 -4.51 113.62 116.33 1x65 n SER 5 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1x65 n SER 5 Cb 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1x65 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x65 n SER 6 N 11.88 0.03 0.00 4.04 2.88 -1.26 -4.95 113.62 126.23 1x65 n SER 6 Ca 0.58 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1x65 n SER 6 Cb 0.18 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1x65 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x65 n GLY 7 N 1.98 0.93 3.90 0.46 0.00 -1.26 -5.06 105.19 106.14 1x65 n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x65 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x65 s ARG 8 N 0.00 3.63 0.06 1.61 0.52 -1.26 -3.65 118.95 119.86 1x65 s ARG 8 Ca 0.00 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 1x65 s ARG 8 Cb 0.00 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1x65 s ARG 8 CO 0.00 0.21 -0.10 -1.21 0.02 0.00 0.00 175.30 174.22 1x65 s GLU 9 N -3.55 0.68 0.21 3.54 2.02 -0.07 -4.97 118.70 116.56 1x65 s GLU 9 Ca 0.44 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.61 1x65 s GLU 9 Cb -0.11 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1x65 s GLU 9 CO 0.30 0.09 0.04 -1.64 0.02 0.00 0.00 175.26 174.08 1x65 s MET 10 N -1.90 2.50 -0.06 1.61 -1.94 -1.26 -2.45 119.30 115.80 1x65 s MET 10 Ca -0.04 -1.17 -0.32 0.00 -1.71 0.00 0.00 55.69 52.45 1x65 s MET 10 Cb -0.08 -2.36 0.13 0.00 2.01 0.00 0.00 34.83 34.53 1x65 s MET 10 CO 0.01 0.42 1.32 0.20 -0.01 0.00 0.00 175.02 176.96 1x65 s GLY 11 N -3.33 -0.42 0.04 -0.03 0.00 -1.18 -3.82 107.32 98.58 1x65 s GLY 11 Ca 0.30 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1x65 s GLY 11 CO 0.20 0.19 0.14 -1.34 0.00 0.00 0.00 173.10 172.29 1x65 s VAL 12 N -2.32 5.00 -0.33 1.40 -7.23 -0.96 -2.08 120.40 113.87 1x65 s VAL 12 Ca 0.14 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 1x65 s VAL 12 Cb 0.05 -3.38 -0.00 0.00 0.56 0.00 0.00 36.38 33.61 1x65 s VAL 12 CO -0.05 0.22 1.49 -0.63 -0.31 0.00 0.00 175.10 175.82 1x65 s ILE 13 N -1.37 3.85 -0.94 -0.62 -1.09 -1.09 -0.55 121.20 119.38 1x65 s ILE 13 Ca 0.29 0.91 0.27 0.00 -2.23 0.00 0.00 60.65 59.90 1x65 s ILE 13 Cb -0.12 -4.00 0.17 0.00 -1.58 0.00 0.00 42.46 36.92 1x65 s ILE 13 CO 0.21 -0.54 1.73 0.00 -1.23 0.00 0.00 174.94 175.12 1x65 n ALA 14 N 8.66 2.69 -3.65 9.38 0.00 0.14 -2.74 120.51 135.00 1x65 n ALA 14 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1x65 n ALA 14 Cb 0.47 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1x65 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x65 s ALA 15 N -3.02 -2.16 -0.42 0.00 0.00 -1.05 -4.86 121.76 110.24 1x65 s ALA 15 Ca 0.12 1.83 0.08 0.00 0.00 0.00 0.00 51.96 53.99 1x65 s ALA 15 Cb 0.17 -1.64 0.30 0.00 0.00 0.00 0.00 23.12 21.96 1x65 s ALA 15 CO 0.60 -0.19 0.85 0.00 0.00 0.00 0.00 175.76 177.02 1x65 n MET 16 N 0.85 0.91 -0.05 0.00 0.00 -1.26 0.38 117.12 117.95 1x65 n MET 16 Ca -0.03 -2.59 -0.04 0.00 0.00 0.00 0.00 57.70 55.04 1x65 n MET 16 Cb 0.58 -1.36 0.04 0.00 0.00 0.00 0.00 33.22 32.48 1x65 n MET 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1x65 n ARG 17 N 0.73 -1.84 -2.54 3.17 5.12 0.24 -4.77 116.66 116.77 1x65 n ARG 17 Ca 0.15 -0.20 -0.42 0.00 -1.93 0.00 0.00 57.85 55.46 1x65 n ARG 17 Cb 0.65 -0.28 -0.00 0.00 -1.16 0.00 0.00 32.46 31.66 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x65 n ASP 18 N -2.90 4.82 0.00 0.55 8.00 -1.26 -3.95 116.55 121.81 1x65 n ASP 18 Ca 0.02 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1x65 n ASP 18 Cb 0.08 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.43 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x65 n GLY 19 N 5.42 3.19 0.00 0.44 0.00 -1.26 -5.10 105.19 107.87 1x65 n GLY 19 Ca 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x65 n GLY 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x65 n PHE 20 N 0.00 0.00 -0.95 1.61 -1.74 -1.25 -2.81 117.46 112.31 1x65 n PHE 20 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1x65 n PHE 20 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x65 n GLY 21 N 3.62 1.66 3.57 4.97 0.00 -1.24 -0.60 105.19 117.18 1x65 n GLY 21 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1x65 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x65 s PHE 22 N -0.24 -0.64 -0.20 1.61 0.08 0.16 -4.23 117.98 114.52 1x65 s PHE 22 Ca 0.00 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.37 1x65 s PHE 22 Cb 0.00 0.37 0.05 0.00 -0.57 0.00 0.00 43.02 42.86 1x65 s PHE 22 CO 0.00 -0.47 -0.07 0.42 -0.10 0.00 0.00 175.22 175.00 1x65 s ILE 23 N -0.55 1.44 -0.39 0.64 1.01 -0.26 0.26 121.20 123.36 1x65 s ILE 23 Ca -0.05 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.37 1x65 s ILE 23 Cb -0.02 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1x65 s ILE 23 CO 0.05 0.07 0.99 -0.75 0.00 0.00 0.00 174.94 175.30 1x65 s LYS 24 N 1.47 3.83 0.36 2.79 2.36 0.28 -0.61 119.74 130.23 1x65 s LYS 24 Ca -0.02 0.63 -0.25 0.00 -2.55 0.00 0.00 55.97 53.77 1x65 s LYS 24 Cb -0.17 -3.82 -0.09 0.00 -1.05 0.00 0.00 37.83 32.70 1x65 s LYS 24 CO -0.07 -1.04 1.05 0.00 1.55 0.00 0.00 175.35 176.83 1x65 h VAL 26 N 2.44 1.34 0.02 0.00 2.07 -1.93 -3.29 116.25 116.89 1x65 h VAL 26 Ca -0.48 -1.51 -0.26 0.00 0.82 0.00 0.00 66.70 65.28 1x65 h VAL 26 Cb 1.21 1.84 0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1x65 h VAL 26 CO 0.64 0.46 -1.02 0.44 0.02 0.00 0.00 177.57 178.11 1x65 h ASP 27 N 0.21 0.86 -3.09 0.57 5.19 -1.93 -3.44 116.42 114.79 1x65 h ASP 27 Ca 0.02 -0.76 -0.61 0.00 -0.62 0.00 0.00 57.03 55.07 1x65 h ASP 27 Cb 0.87 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 40.05 1x65 h ASP 27 CO 0.07 1.51 -0.24 -0.13 -3.12 0.00 0.00 179.24 177.32 1x65 s ARG 28 N -3.24 4.01 -0.27 3.56 1.81 -1.24 -4.98 118.95 118.60 1x65 s ARG 28 Ca -0.10 0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 54.21 1x65 s ARG 28 Cb 0.06 -3.29 0.20 0.00 -0.45 0.00 0.00 34.95 31.46 1x65 s ARG 28 CO 0.91 0.52 1.96 -0.25 -0.68 0.00 0.00 175.30 177.76 1x65 n ASP 29 N 2.50 6.09 -4.21 0.23 9.92 -1.26 -3.82 116.55 125.99 1x65 n ASP 29 Ca -0.13 -2.96 -0.12 0.00 -0.53 0.00 0.00 54.79 51.05 1x65 n ASP 29 Cb 0.52 -1.03 -0.10 0.00 -0.64 0.00 0.00 41.12 39.87 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1x65 s VAL 30 N -1.97 0.27 0.06 2.53 -7.23 -1.26 -5.05 120.40 107.75 1x65 s VAL 30 Ca 0.27 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1x65 s VAL 30 Cb 0.21 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1x65 s VAL 30 CO -0.00 -0.26 0.08 0.00 -0.31 0.00 0.00 175.10 174.61 1x65 s ARG 31 N -4.05 2.94 -0.21 4.82 1.70 -1.26 -2.82 118.95 120.08 1x65 s ARG 31 Ca 0.30 -0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 54.90 1x65 s ARG 31 Cb 0.07 -2.77 -0.00 0.00 -0.57 0.00 0.00 34.95 31.68 1x65 s ARG 31 CO 0.07 0.59 -0.09 1.41 -1.08 0.00 0.00 175.30 176.20 1x65 s MET 32 N -2.24 3.27 -0.18 3.89 -2.45 0.22 -4.82 119.30 116.99 1x65 s MET 32 Ca 0.28 -0.68 -0.29 0.00 -1.25 0.00 0.00 55.69 53.75 1x65 s MET 32 Cb -0.12 -2.88 -0.00 0.00 1.25 0.00 0.00 34.83 33.08 1x65 s MET 32 CO 0.20 -0.18 1.12 -0.59 1.05 0.00 0.00 175.02 176.62 1x65 s PHE 33 N 1.38 3.19 0.30 4.11 -0.12 -1.26 -1.10 117.98 124.48 1x65 s PHE 33 Ca 0.05 1.31 0.11 0.00 -0.05 0.00 0.00 56.93 58.35 1x65 s PHE 33 Cb -0.14 -3.35 -0.06 0.00 -0.63 0.00 0.00 43.02 38.84 1x65 s PHE 33 CO -0.06 -0.92 -0.15 -0.59 -0.05 0.00 0.00 175.22 173.45 1x65 s PHE 34 N 3.07 2.31 0.17 3.49 -0.71 -1.26 -4.67 117.98 120.38 1x65 s PHE 34 Ca 0.49 -0.42 0.05 0.00 -1.04 0.00 0.00 56.93 56.01 1x65 s PHE 34 Cb -0.18 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.44 1x65 s PHE 34 CO 0.12 0.64 0.17 -1.01 -1.34 0.00 0.00 175.22 173.80 1x65 s HIS 35 N -2.58 3.22 -0.09 3.49 3.76 -1.26 -3.62 115.29 118.21 1x65 s HIS 35 Ca 0.31 0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1x65 s HIS 35 Cb -0.02 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.20 1x65 s HIS 35 CO 0.15 0.52 1.92 0.34 -0.85 0.00 0.00 174.74 176.82 1x65 n PHE 36 N -0.44 0.43 0.00 1.40 7.35 -1.12 -3.35 117.46 121.73 1x65 n PHE 36 Ca -0.08 -1.21 0.00 0.00 -0.76 0.00 0.00 57.45 55.40 1x65 n PHE 36 Cb 0.55 -0.60 0.00 0.00 0.35 0.00 0.00 39.48 39.78 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x65 n SER 37 N 1.09 4.35 0.01 -2.13 7.64 -1.26 -4.65 113.62 118.67 1x65 n SER 37 Ca 0.08 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.09 1x65 n SER 37 Cb 0.53 0.69 0.43 0.00 -1.01 0.00 0.00 64.21 64.85 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x65 n GLU 38 N -1.52 0.03 0.00 1.43 4.71 -1.21 -3.56 120.64 120.52 1x65 n GLU 38 Ca 0.00 0.02 0.08 0.00 -0.01 0.00 0.00 57.16 57.25 1x65 n GLU 38 Cb 0.18 -1.52 0.49 0.00 -1.01 0.00 0.00 31.44 29.58 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1x65 n ILE 39 N -1.57 0.00 0.32 -3.67 5.41 -1.26 -0.64 119.36 117.95 1x65 n ILE 39 Ca 0.06 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.95 1x65 n ILE 39 Cb 0.35 -0.71 0.76 0.00 -0.71 0.00 0.00 39.64 39.34 1x65 n ILE 39 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1x65 h LEU 40 N 0.00 0.00 -1.24 1.39 8.10 -1.84 -1.05 115.31 120.67 1x65 h LEU 40 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1x65 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1x65 h LEU 40 CO 0.00 0.00 0.41 -0.78 -4.11 0.00 0.00 178.44 173.96 1x65 h ASP 41 N 0.00 0.00 -1.47 0.17 1.82 -1.69 -3.45 116.42 111.79 1x65 h ASP 41 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1x65 h ASP 41 Cb 0.68 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1x65 h ASP 41 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1x65 n GLY 42 N -1.27 -1.13 0.00 -0.78 0.00 -0.40 -4.97 105.19 96.64 1x65 n GLY 42 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1x65 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x65 n ASN 43 N -0.06 0.00 -4.57 1.61 3.02 -1.26 -4.79 115.26 109.22 1x65 n ASN 43 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1x65 n ASN 43 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N 0.00 3.02 0.75 3.52 1.11 -1.26 -4.92 119.66 121.88 1x65 s GLN 44 Ca 0.00 -0.94 -0.16 0.00 0.01 0.00 0.00 55.36 54.27 1x65 s GLN 44 Cb 0.00 -5.25 -0.08 0.00 -1.01 0.00 0.00 33.01 26.67 1x65 s GLN 44 CO 0.00 -3.04 0.09 1.28 0.01 0.00 0.00 175.29 173.63 1x65 n LEU 45 N 11.92 -1.71 -3.75 2.90 4.77 -1.26 -5.02 117.00 124.86 1x65 n LEU 45 Ca 0.40 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1x65 n LEU 45 Cb 0.48 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 1x65 n LEU 45 CO 0.66 -4.15 0.04 -1.00 -1.33 0.00 0.00 177.39 171.60 1x65 s HIS 46 N -1.99 -0.20 -0.47 -1.77 3.76 -1.26 -5.10 115.29 108.26 1x65 s HIS 46 Ca 0.57 0.29 -0.44 0.00 -0.15 0.00 0.00 55.06 55.33 1x65 s HIS 46 Cb -0.33 0.11 -0.18 0.00 1.11 0.00 0.00 32.58 33.28 1x65 s HIS 46 CO 0.66 -0.40 1.95 -0.89 -0.85 0.00 0.00 174.74 175.20 1x65 n ILE 47 N 1.23 0.04 -1.52 0.60 2.08 -1.26 -2.15 119.36 118.37 1x65 n ILE 47 Ca -0.21 -0.03 -0.00 0.00 0.56 0.00 0.00 62.75 63.07 1x65 n ILE 47 Cb 0.56 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.81 1x65 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 48 N 6.44 -0.80 -2.99 -1.39 0.00 -1.11 -4.99 120.51 115.68 1x65 n ALA 48 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.70 1x65 n ALA 48 Cb -0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x65 s ASP 49 N -2.72 0.97 0.26 0.00 1.01 -0.91 -4.86 116.67 110.41 1x65 s ASP 49 Ca 0.00 -0.15 -0.30 0.00 0.71 0.00 0.00 52.55 52.82 1x65 s ASP 49 Cb -0.00 -0.23 -0.09 0.00 1.01 0.00 0.00 42.92 43.61 1x65 s ASP 49 CO 0.01 0.05 1.07 -1.61 0.21 0.00 0.00 175.17 174.90 1x65 s GLU 50 N 0.15 4.68 -0.00 8.23 2.02 -1.26 -2.68 118.70 129.84 1x65 s GLU 50 Ca -0.02 1.72 -0.04 0.00 0.02 0.00 0.00 54.97 56.65 1x65 s GLU 50 Cb -0.07 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.94 1x65 s GLU 50 CO 0.00 0.26 0.08 0.14 0.02 0.00 0.00 175.26 175.76 1x65 s VAL 51 N -1.03 0.07 -0.27 2.63 -7.23 -0.89 -1.51 120.40 112.18 1x65 s VAL 51 Ca 0.44 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.96 1x65 s VAL 51 Cb -0.30 -0.32 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1x65 s VAL 51 CO 0.38 -0.34 0.02 -0.70 -0.31 0.00 0.00 175.10 174.16 1x65 s GLU 52 N -1.10 3.06 0.06 4.82 2.12 -0.40 -3.11 118.70 124.13 1x65 s GLU 52 Ca -0.12 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1x65 s GLU 52 Cb -0.07 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1x65 s GLU 52 CO 0.01 -0.39 -0.04 -0.59 -0.54 0.00 0.00 175.26 173.70 1x65 s PHE 53 N 1.44 0.59 -0.25 5.30 -0.71 -1.03 -3.36 117.98 119.96 1x65 s PHE 53 Ca 0.02 -0.87 -0.14 0.00 -1.04 0.00 0.00 56.93 54.90 1x65 s PHE 53 Cb -0.17 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1x65 s PHE 53 CO -0.00 -0.25 0.32 0.99 -1.34 0.00 0.00 175.22 174.94 1x65 s THR 54 N -3.11 5.22 -0.28 -4.49 2.01 -1.26 -0.89 115.64 112.84 1x65 s THR 54 Ca 0.02 0.49 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1x65 s THR 54 Cb 0.02 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1x65 s THR 54 CO -0.06 0.21 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 1x65 s VAL 55 N 1.74 3.42 0.02 3.82 1.01 -1.24 -4.27 120.40 124.89 1x65 s VAL 55 Ca 0.14 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1x65 s VAL 55 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1x65 s VAL 55 CO 0.09 0.08 -0.06 0.68 0.00 0.00 0.00 175.10 175.89 1x65 s VAL 56 N 1.40 0.44 0.44 2.92 -7.23 -1.26 -4.96 120.40 112.15 1x65 s VAL 56 Ca 0.00 -0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1x65 s VAL 56 Cb -0.17 -0.44 -0.08 0.00 0.56 0.00 0.00 36.38 36.25 1x65 s VAL 56 CO -0.01 -0.12 1.17 -2.16 -0.31 0.00 0.00 175.10 173.68 1x65 s PRO 57 N -0.78 3.84 0.25 4.82 0.04 -1.26 -3.42 135.00 138.49 1x65 s PRO 57 Ca -0.04 1.81 0.08 0.00 0.04 0.00 0.00 61.00 62.89 1x65 s PRO 57 Cb -0.06 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1x65 s PRO 57 CO 0.00 -0.49 0.09 -0.51 0.04 0.00 0.00 177.00 176.13 1x65 s ASP 58 N -1.28 5.05 -0.35 6.66 1.01 -1.26 -4.86 116.67 121.64 1x65 s ASP 58 Ca 0.62 -0.42 0.14 0.00 0.71 0.00 0.00 52.55 53.60 1x65 s ASP 58 Cb -0.29 -1.14 0.43 0.00 1.01 0.00 0.00 42.92 42.93 1x65 s ASP 58 CO 0.36 -0.01 1.12 1.15 0.21 0.00 0.00 175.17 178.01 1x65 n MET 59 N -0.93 1.17 -0.19 8.23 0.00 -1.26 -4.88 117.12 119.26 1x65 n MET 59 Ca -0.07 -2.66 0.01 0.00 0.00 0.00 0.00 57.70 54.98 1x65 n MET 59 Cb 0.58 -0.74 0.02 0.00 0.00 0.00 0.00 33.22 33.08 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1x65 n LEU 60 N -0.30 0.60 -1.31 3.17 4.77 -1.26 -5.13 117.00 117.54 1x65 n LEU 60 Ca 0.04 -1.07 0.15 0.00 -0.03 0.00 0.00 56.01 55.09 1x65 n LEU 60 Cb 0.83 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1x65 n LEU 60 CO 0.12 0.26 -0.58 -1.20 -1.33 0.00 0.00 177.39 174.67 1x65 n SER 61 N -0.27 -7.10 -2.24 -1.43 7.64 -1.26 -4.72 113.62 104.24 1x65 n SER 61 Ca 0.02 1.35 -0.09 0.00 1.01 0.00 0.00 58.87 61.16 1x65 n SER 61 Cb 0.56 -4.49 -0.01 0.00 -1.01 0.00 0.00 64.21 59.26 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 n ALA 62 N -4.00 -0.71 -2.81 -0.43 0.00 -1.26 -4.88 120.51 106.42 1x65 n ALA 62 Ca -0.08 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1x65 n ALA 62 Cb 0.61 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 1x65 n ALA 62 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x65 s GLN 63 N -4.62 1.27 -0.21 0.00 1.11 -1.26 -5.18 119.66 110.77 1x65 s GLN 63 Ca 0.00 -1.23 -0.29 0.00 0.01 0.00 0.00 55.36 53.85 1x65 s GLN 63 Cb 0.00 0.40 0.15 0.00 -1.01 0.00 0.00 33.01 32.55 1x65 s GLN 63 CO 0.00 -0.48 1.14 0.50 0.01 0.00 0.00 175.29 176.46 1x65 s ARG 64 N -4.00 0.38 0.33 2.91 3.52 -1.26 -4.86 118.95 115.97 1x65 s ARG 64 Ca 0.20 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1x65 s ARG 64 Cb 0.02 0.18 -0.12 0.00 -1.56 0.00 0.00 34.95 33.47 1x65 s ARG 64 CO 0.03 -0.11 0.03 0.27 -0.81 0.00 0.00 175.30 174.71 1x65 n ASN 65 N 0.73 -2.36 -3.93 -2.12 0.23 -1.22 -4.88 115.26 101.71 1x65 n ASN 65 Ca -0.07 0.59 -0.08 0.00 -0.53 0.00 0.00 54.58 54.50 1x65 n ASN 65 Cb 0.58 -0.67 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1x65 s HIS 66 N -1.35 0.10 -0.19 -2.53 -3.43 -1.26 -4.97 115.29 101.66 1x65 s HIS 66 Ca 0.45 -0.51 -0.13 0.00 -0.80 0.00 0.00 55.06 54.07 1x65 s HIS 66 Cb -0.46 0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 1x65 s HIS 66 CO 0.49 -1.11 0.26 0.00 -2.00 0.00 0.00 174.74 172.37 1x65 s ALA 67 N -3.96 3.61 0.15 -1.38 0.00 -1.26 -4.30 121.76 114.61 1x65 s ALA 67 Ca 0.17 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.64 1x65 s ALA 67 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1x65 s ALA 67 CO 0.08 -0.02 -0.18 0.96 0.00 0.00 0.00 175.76 176.61 1x65 s ILE 68 N 0.70 2.79 -0.74 0.00 -4.36 -1.26 -4.82 121.20 113.51 1x65 s ILE 68 Ca 0.14 -1.68 -0.09 0.00 -0.26 0.00 0.00 60.65 58.76 1x65 s ILE 68 Cb -0.13 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.28 1x65 s ILE 68 CO 0.03 -0.00 0.62 0.54 0.24 0.00 0.00 174.94 176.37 1x65 n ARG 69 N 0.49 -1.64 -2.14 0.37 5.12 -1.25 -4.26 116.66 113.36 1x65 n ARG 69 Ca -0.14 0.90 -0.43 0.00 -1.93 0.00 0.00 57.85 56.26 1x65 n ARG 69 Cb 0.54 -2.19 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x65 s ILE 70 N -2.64 3.71 -0.18 0.55 1.01 0.19 -4.72 121.20 119.12 1x65 s ILE 70 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1x65 s ILE 70 Cb -0.01 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1x65 s ILE 70 CO 0.89 -0.35 -0.17 -0.75 0.00 0.00 0.00 174.94 174.57 1x65 s LYS 71 N 4.77 3.10 0.23 2.79 2.20 -1.21 -4.04 119.74 127.58 1x65 s LYS 71 Ca 0.71 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1x65 s LYS 71 Cb -0.23 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.36 1x65 s LYS 71 CO 0.29 -0.14 1.35 0.21 -0.36 0.00 0.00 175.35 176.70 1x65 s LYS 72 N 1.17 4.35 -0.02 4.03 2.20 -1.26 -1.28 119.74 128.93 1x65 s LYS 72 Ca 0.02 2.15 -0.01 0.00 -0.36 0.00 0.00 55.97 57.77 1x65 s LYS 72 Cb -0.14 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1x65 s LYS 72 CO -0.08 -0.29 0.05 -0.51 -0.36 0.00 0.00 175.35 174.16 1x65 s LEU 73 N -0.40 3.78 0.66 5.43 1.43 -0.57 -4.93 118.68 124.07 1x65 s LEU 73 Ca 0.56 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.64 1x65 s LEU 73 Cb -0.39 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1x65 s LEU 73 CO 0.41 0.30 1.11 -2.16 0.23 0.00 0.00 176.35 176.24 1x65 s PRO 74 N -1.52 2.81 0.24 1.29 0.04 -1.26 -4.51 135.00 132.09 1x65 s PRO 74 Ca 0.20 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 1x65 s PRO 74 Cb -0.12 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1x65 s PRO 74 CO 0.11 -1.24 1.68 0.15 0.04 0.00 0.00 177.00 177.74 1x65 s LYS 75 N -4.09 4.12 0.00 4.56 1.02 -1.26 -2.98 119.74 121.11 1x65 s LYS 75 Ca 0.67 2.60 0.00 0.00 0.02 0.00 0.00 55.97 59.26 1x65 s LYS 75 Cb -0.20 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1x65 s LYS 75 CO 0.41 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 1x65 n GLY 76 N 3.33 3.07 0.03 -3.33 0.00 -1.26 -4.98 105.19 102.05 1x65 n GLY 76 Ca 0.13 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 1x65 n GLY 76 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x65 h THR 77 N 0.00 0.00 -1.30 2.61 2.02 -1.92 -3.44 112.91 110.88 1x65 h THR 77 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.66 1x65 h THR 77 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1x65 h THR 77 CO 0.00 0.00 -0.37 0.54 0.37 0.00 0.00 175.52 176.06 1x65 s VAL 78 N -3.19 2.38 -1.81 3.16 0.11 -1.26 -5.13 120.40 114.66 1x65 s VAL 78 Ca -0.01 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.63 1x65 s VAL 78 Cb 0.00 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 1x65 s VAL 78 CO 0.04 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.61 1x65 n SER 79 N -1.58 0.00 0.04 3.54 7.64 -1.26 -5.02 113.62 116.98 1x65 n SER 79 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.90 1x65 n SER 79 Cb 0.63 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1x65 n SER 79 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1x65 n PHE 80 N -0.27 0.00 0.14 1.43 3.01 -1.26 -5.01 117.46 115.50 1x65 n PHE 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1x65 n PHE 80 Cb 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1x65 n PHE 80 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1x65 n HIS 81 N -3.50 -3.48 -3.25 1.38 -0.00 -1.26 -5.06 115.22 100.05 1x65 n HIS 81 Ca -0.01 0.91 -0.18 0.00 -0.00 0.00 0.00 57.72 58.44 1x65 n HIS 81 Cb 0.04 2.35 -0.07 0.00 -0.00 0.00 0.00 29.99 32.31 1x65 n HIS 81 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1x65 s SER 82 N -2.68 0.73 -0.27 0.26 0.01 -1.26 -5.12 113.70 105.37 1x65 s SER 82 Ca 0.00 -2.12 -0.15 0.00 1.31 0.00 0.00 55.95 54.99 1x65 s SER 82 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1x65 s SER 82 CO 0.00 -0.19 0.38 -2.28 0.41 0.00 0.00 173.24 171.56 1x65 s HIS 83 N 0.85 3.25 -0.11 2.43 5.04 -1.26 -5.05 115.29 120.45 1x65 s HIS 83 Ca 0.25 0.43 -0.02 0.00 -1.54 0.00 0.00 55.06 54.18 1x65 s HIS 83 Cb -0.06 -2.57 0.04 0.00 0.04 0.00 0.00 32.58 30.02 1x65 s HIS 83 CO -0.08 -0.22 0.00 -1.54 -2.34 0.00 0.00 174.74 170.56 1x65 s SER 84 N 1.61 1.99 0.00 9.88 1.04 -1.26 -5.05 113.70 121.91 1x65 s SER 84 Ca 0.15 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1x65 s SER 84 Cb -0.16 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.44 1x65 s SER 84 CO 0.10 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x65 n GLY 85 N 5.10 -2.02 3.70 7.32 0.00 -1.26 -5.14 105.19 112.88 1x65 n GLY 85 Ca -0.08 1.05 -0.42 0.00 0.00 0.00 0.00 46.02 46.56 1x65 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x65 s PRO 86 N 0.00 4.29 0.56 1.61 0.04 -1.26 -4.99 135.00 135.25 1x65 s PRO 86 Ca 0.00 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 1x65 s PRO 86 Cb 0.00 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1x65 s PRO 86 CO 0.00 -0.53 1.17 0.45 0.04 0.00 0.00 177.00 178.14 1x65 s SER 87 N 1.63 5.47 -0.49 6.66 0.15 -1.26 -5.01 113.70 120.84 1x65 s SER 87 Ca 0.65 2.30 0.03 0.00 0.70 0.00 0.00 55.95 59.63 1x65 s SER 87 Cb -0.34 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.53 1x65 s SER 87 CO 0.28 -1.40 0.32 -0.44 1.20 0.00 0.00 173.24 173.21 1x65 s SER 88 N -1.65 3.36 0.00 5.45 0.01 -1.26 -5.34 113.70 114.27 1x65 s SER 88 Ca 0.75 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 55.00 1x65 s SER 88 Cb -0.28 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1x65 s SER 88 CO 0.31 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.36