#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 0.19 1.61 1.04 -1.26 -5.19 113.70 109.64 1x65 s SER 2 Ca 0.00 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.85 1x65 s SER 2 Cb 0.00 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1x65 s SER 2 CO 0.00 -0.31 0.75 -0.55 0.98 0.00 0.00 173.24 174.11 1x65 s SER 3 N -0.59 -0.35 -0.36 7.02 0.15 -1.26 -5.10 113.70 113.22 1x65 s SER 3 Ca -0.01 -0.33 0.13 0.00 0.70 0.00 0.00 55.95 56.45 1x65 s SER 3 Cb -0.02 0.61 0.39 0.00 -1.71 0.00 0.00 66.02 65.29 1x65 s SER 3 CO -0.00 -1.08 0.90 0.61 1.20 0.00 0.00 173.24 174.88 1x65 n GLY 4 N -0.41 2.34 2.48 9.45 0.00 -1.26 -5.01 105.19 112.78 1x65 n GLY 4 Ca -0.09 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x65 s SER 5 N -2.48 1.62 -0.75 1.61 0.01 -1.26 -5.08 113.70 107.38 1x65 s SER 5 Ca 0.32 -2.53 -0.26 0.00 1.31 0.00 0.00 55.95 54.80 1x65 s SER 5 Cb 0.39 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.42 1x65 s SER 5 CO -0.03 -0.21 2.12 -0.55 0.41 0.00 0.00 173.24 174.98 1x65 s SER 6 N 0.59 4.73 -0.40 2.44 0.15 -1.26 -4.79 113.70 115.15 1x65 s SER 6 Ca 0.26 0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.01 1x65 s SER 6 Cb -0.07 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 61.99 1x65 s SER 6 CO -0.10 -2.99 0.62 0.61 1.20 0.00 0.00 173.24 172.58 1x65 n GLY 7 N 6.46 3.31 3.84 9.45 0.00 -1.26 -5.11 105.19 121.89 1x65 n GLY 7 Ca 0.37 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.78 3.83 0.12 1.61 3.00 -1.26 -2.81 118.95 121.66 1x65 s ARG 8 Ca 0.38 0.30 0.09 0.00 0.00 0.00 0.00 55.73 56.50 1x65 s ARG 8 Cb 0.24 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.93 1x65 s ARG 8 CO -0.10 0.70 -0.22 -1.21 0.00 0.00 0.00 175.30 174.47 1x65 s GLU 9 N -1.03 1.20 0.22 3.54 0.41 -0.73 -4.97 118.70 117.34 1x65 s GLU 9 Ca 0.22 -1.23 0.10 0.00 -0.41 0.00 0.00 54.97 53.65 1x65 s GLU 9 Cb -0.16 -1.48 -0.04 0.00 -1.78 0.00 0.00 34.13 30.67 1x65 s GLU 9 CO 0.11 0.34 -0.08 -1.64 -0.49 0.00 0.00 175.26 173.50 1x65 s MET 10 N -2.05 2.07 0.19 1.61 -1.94 -1.26 -2.68 119.30 115.23 1x65 s MET 10 Ca 0.09 -1.39 -0.09 0.00 -1.71 0.00 0.00 55.69 52.59 1x65 s MET 10 Cb -0.09 -2.10 0.04 0.00 2.01 0.00 0.00 34.83 34.68 1x65 s MET 10 CO 0.05 0.40 0.47 0.41 -0.01 0.00 0.00 175.02 176.34 1x65 n GLY 11 N -0.33 1.29 3.16 -0.03 0.00 -1.21 -3.42 105.19 104.64 1x65 n GLY 11 Ca -0.09 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1x65 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x65 s VAL 12 N -2.44 1.85 -0.94 1.61 -7.23 -0.70 -3.07 120.40 109.48 1x65 s VAL 12 Ca 0.10 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 59.13 1x65 s VAL 12 Cb -0.02 -1.63 -0.17 0.00 0.56 0.00 0.00 36.38 35.12 1x65 s VAL 12 CO 0.06 0.51 2.24 -0.63 -0.31 0.00 0.00 175.10 176.97 1x65 s ILE 13 N 0.59 3.06 0.24 -0.62 -1.09 -0.98 -1.71 121.20 120.69 1x65 s ILE 13 Ca -0.14 -0.08 0.36 0.00 -2.23 0.00 0.00 60.65 58.56 1x65 s ILE 13 Cb -0.17 -3.55 0.38 0.00 -1.58 0.00 0.00 42.46 37.54 1x65 s ILE 13 CO 0.04 -0.12 2.08 0.00 -1.23 0.00 0.00 174.94 175.71 1x65 h ALA 14 N 12.04 1.00 -1.65 9.38 0.00 -1.79 -0.82 119.26 137.42 1x65 h ALA 14 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1x65 h ALA 14 Cb 1.00 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 1x65 h ALA 14 CO 1.03 0.00 0.47 0.00 0.00 0.00 0.00 179.25 180.75 1x65 s ALA 15 N -3.82 -1.90 -0.40 0.00 0.00 -1.20 -4.89 121.76 109.54 1x65 s ALA 15 Ca -0.02 1.55 0.10 0.00 0.00 0.00 0.00 51.96 53.59 1x65 s ALA 15 Cb 0.10 -0.61 0.35 0.00 0.00 0.00 0.00 23.12 22.97 1x65 s ALA 15 CO 0.42 -0.32 0.98 0.00 0.00 0.00 0.00 175.76 176.84 1x65 n MET 16 N 0.83 1.03 -0.59 0.00 3.85 -1.26 -0.45 117.12 120.53 1x65 n MET 16 Ca -0.12 -2.61 -0.31 0.00 -1.00 0.00 0.00 57.70 53.67 1x65 n MET 16 Cb 0.58 -1.20 0.21 0.00 -1.05 0.00 0.00 33.22 31.76 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 0.17 -1.97 -2.17 3.17 5.12 0.48 -4.79 116.66 116.67 1x65 n ARG 17 Ca 0.12 -0.55 -0.30 0.00 -1.93 0.00 0.00 57.85 55.19 1x65 n ARG 17 Cb 0.72 -1.88 -0.05 0.00 -1.16 0.00 0.00 32.46 30.09 1x65 n ARG 17 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x65 s ASP 18 N -2.06 5.47 0.00 0.55 2.15 -1.26 -2.78 116.67 118.74 1x65 s ASP 18 Ca 0.61 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1x65 s ASP 18 Cb -0.17 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1x65 s ASP 18 CO 0.66 -2.44 0.00 0.61 -0.17 0.00 0.00 175.17 173.82 1x65 n GLY 19 N 6.86 3.24 2.76 2.66 0.00 -1.26 -5.10 105.19 114.35 1x65 n GLY 19 Ca 0.38 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.57 -3.45 1.61 -1.74 -1.12 -4.21 117.46 106.98 1x65 n PHE 20 Ca 0.00 -1.69 -0.00 0.00 -0.56 0.00 0.00 57.45 55.20 1x65 n PHE 20 Cb 0.00 0.55 0.00 0.00 1.52 0.00 0.00 39.48 41.55 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 -0.44 1.27 3.08 4.97 0.00 -1.24 -0.39 105.19 112.45 1x65 n GLY 21 Ca -0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 -5.83 0.51 -0.20 1.61 0.08 0.40 -3.64 117.98 110.91 1x65 s PHE 22 Ca 0.01 -1.01 -0.05 0.00 0.12 0.00 0.00 56.93 56.00 1x65 s PHE 22 Cb -0.00 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.15 1x65 s PHE 22 CO 0.00 -0.35 0.12 0.42 -0.10 0.00 0.00 175.22 175.31 1x65 s ILE 23 N -3.66 -0.12 -0.20 0.64 1.01 -1.25 -2.24 121.20 115.39 1x65 s ILE 23 Ca 0.05 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 1x65 s ILE 23 Cb 0.06 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1x65 s ILE 23 CO -0.09 -0.38 1.06 -0.75 0.00 0.00 0.00 174.94 174.79 1x65 s LYS 24 N 2.15 4.28 0.63 2.79 2.20 -0.69 -1.10 119.74 130.00 1x65 s LYS 24 Ca 0.04 1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 56.87 1x65 s LYS 24 Cb -0.16 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1x65 s LYS 24 CO -0.16 -0.59 1.29 0.00 -0.36 0.00 0.00 175.35 175.52 1x65 h VAL 26 N 0.67 1.28 0.10 0.00 -1.51 -1.93 -3.33 116.25 111.53 1x65 h VAL 26 Ca -0.51 -1.71 -0.25 0.00 -1.23 0.00 0.00 66.70 63.00 1x65 h VAL 26 Cb 1.33 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1x65 h VAL 26 CO 0.54 0.55 -1.25 -0.78 -1.23 0.00 0.00 177.57 175.40 1x65 h ASP 27 N 0.59 0.33 -1.96 4.19 1.82 -1.92 -3.48 116.42 116.00 1x65 h ASP 27 Ca 0.01 -0.84 -0.44 0.00 -0.39 0.00 0.00 57.03 55.37 1x65 h ASP 27 Cb 1.13 -0.11 0.04 0.00 0.68 0.00 0.00 39.33 41.08 1x65 h ASP 27 CO 0.12 1.55 -0.08 -0.13 -1.61 0.00 0.00 179.24 179.09 1x65 s ARG 28 N -2.45 2.44 -0.22 0.28 1.81 -1.25 -5.03 118.95 114.53 1x65 s ARG 28 Ca -0.20 -1.07 0.13 0.00 -1.72 0.00 0.00 55.73 52.88 1x65 s ARG 28 Cb 0.04 -2.55 0.48 0.00 -0.45 0.00 0.00 34.95 32.46 1x65 s ARG 28 CO 0.75 -0.75 1.39 -0.25 -0.68 0.00 0.00 175.30 175.76 1x65 n ASP 29 N -2.29 2.89 -4.94 0.23 9.92 -1.26 -3.81 116.55 117.29 1x65 n ASP 29 Ca 0.10 -3.42 -0.26 0.00 -0.53 0.00 0.00 54.79 50.68 1x65 n ASP 29 Cb 0.60 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 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 -3.05 5.28 -0.12 2.53 -7.23 -1.26 -4.90 120.40 111.66 1x65 s VAL 30 Ca 0.41 -0.62 -0.07 0.00 -1.81 0.00 0.00 61.98 59.90 1x65 s VAL 30 Cb 0.36 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1x65 s VAL 30 CO 0.03 -0.14 0.12 -0.13 -0.31 0.00 0.00 175.10 174.67 1x65 s ARG 31 N -3.34 3.44 -0.80 4.82 0.52 -1.26 -2.28 118.95 120.06 1x65 s ARG 31 Ca 0.36 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.34 1x65 s ARG 31 Cb -0.11 -3.16 0.20 0.00 0.52 0.00 0.00 34.95 32.41 1x65 s ARG 31 CO 0.29 0.74 0.68 1.41 0.02 0.00 0.00 175.30 178.44 1x65 s MET 32 N -0.92 3.18 0.12 3.54 -2.45 -0.26 -4.82 119.30 117.69 1x65 s MET 32 Ca 0.14 -2.81 -0.35 0.00 -1.25 0.00 0.00 55.69 51.42 1x65 s MET 32 Cb -0.12 -4.04 -0.16 0.00 1.25 0.00 0.00 34.83 31.76 1x65 s MET 32 CO 0.03 -1.23 1.28 0.34 1.05 0.00 0.00 175.02 176.49 1x65 n PHE 33 N 3.17 1.44 -4.22 4.11 7.35 -1.26 -3.82 117.46 124.24 1x65 n PHE 33 Ca 0.15 0.65 -0.13 0.00 -0.76 0.00 0.00 57.45 57.36 1x65 n PHE 33 Cb 0.40 -2.31 -0.10 0.00 0.35 0.00 0.00 39.48 37.81 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1x65 s PHE 34 N 0.25 1.13 0.18 -5.13 -0.71 -1.24 -4.54 117.98 107.92 1x65 s PHE 34 Ca 0.80 -1.06 0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1x65 s PHE 34 Cb -0.92 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.21 1x65 s PHE 34 CO 0.49 -0.27 0.03 -1.01 -1.34 0.00 0.00 175.22 173.12 1x65 s HIS 35 N -3.74 2.90 -0.03 3.49 3.76 -1.26 -3.66 115.29 116.76 1x65 s HIS 35 Ca 0.24 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.01 1x65 s HIS 35 Cb 0.06 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 1x65 s HIS 35 CO 0.03 0.52 2.44 1.19 -0.85 0.00 0.00 174.74 178.08 1x65 n PHE 36 N -0.25 0.13 0.00 1.40 3.01 -1.26 -3.30 117.46 117.19 1x65 n PHE 36 Ca -0.09 -1.21 0.00 0.00 1.01 0.00 0.00 57.45 57.16 1x65 n PHE 36 Cb 0.55 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1x65 n SER 37 N 1.68 3.78 0.02 4.37 7.64 -1.26 -4.68 113.62 125.16 1x65 n SER 37 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1x65 n SER 37 Cb 0.62 0.59 0.38 0.00 -1.01 0.00 0.00 64.21 64.79 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 -1.35 0.07 0.00 1.43 -0.58 -1.21 -3.58 120.64 115.41 1x65 n GLU 38 Ca 0.00 0.03 0.09 0.00 -0.42 0.00 0.00 57.16 56.86 1x65 n GLU 38 Cb 0.17 -1.55 0.53 0.00 -0.57 0.00 0.00 31.44 30.01 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x65 n ILE 39 N -1.66 0.00 0.18 -3.67 5.41 -1.26 -1.02 119.36 117.34 1x65 n ILE 39 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.99 1x65 n ILE 39 Cb 0.36 -0.69 0.76 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.21 1.39 8.10 -1.85 -1.59 115.31 120.14 1x65 h LEU 40 Ca 0.00 0.00 0.36 0.00 0.11 0.00 0.00 57.88 58.35 1x65 h LEU 40 Cb 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 40.09 1x65 h LEU 40 CO 0.00 0.00 0.69 -0.78 -4.11 0.00 0.00 178.44 174.24 1x65 h ASP 41 N 0.00 0.40 0.00 0.17 1.82 -1.72 -3.45 116.42 113.63 1x65 h ASP 41 Ca 0.12 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1x65 h ASP 41 Cb 0.94 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1x65 h ASP 41 CO -0.00 -0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.11 1x65 n GLY 42 N -1.40 0.74 0.00 -0.78 0.00 -0.60 -5.04 105.19 98.11 1x65 n GLY 42 Ca 0.33 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.00 -4.56 1.61 3.02 -1.26 -4.83 115.26 109.25 1x65 n ASN 43 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 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 2.61 0.95 3.52 -0.21 -1.26 -4.95 119.66 120.32 1x65 s GLN 44 Ca 0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.19 1x65 s GLN 44 Cb 0.00 -4.88 0.08 0.00 1.00 0.00 0.00 33.01 29.22 1x65 s GLN 44 CO 0.00 -3.16 0.65 1.28 -2.12 0.00 0.00 175.29 171.94 1x65 n LEU 45 N 13.45 0.81 -3.83 2.90 4.77 -1.26 -5.04 117.00 128.80 1x65 n LEU 45 Ca 0.34 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.56 1x65 n LEU 45 Cb 0.48 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1x65 n LEU 45 CO 0.63 -3.13 0.30 -2.28 -1.33 0.00 0.00 177.39 171.58 1x65 s HIS 46 N -2.47 -0.02 -0.23 -1.77 2.46 -1.26 -5.08 115.29 106.91 1x65 s HIS 46 Ca 0.60 -0.35 -0.31 0.00 0.47 0.00 0.00 55.06 55.47 1x65 s HIS 46 Cb -0.21 0.42 -0.08 0.00 -0.13 0.00 0.00 32.58 32.58 1x65 s HIS 46 CO 0.64 -1.01 2.17 -0.89 -2.47 0.00 0.00 174.74 173.18 1x65 n ILE 47 N -0.38 0.34 -1.69 0.89 2.08 -1.26 -2.03 119.36 117.31 1x65 n ILE 47 Ca -0.07 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1x65 n ILE 47 Cb 0.62 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 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 10.43 0.00 -2.82 -1.39 0.00 -0.31 -4.76 120.51 121.66 1x65 n ALA 48 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1x65 n ALA 48 Cb 0.36 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.68 4.49 -0.29 0.00 1.11 -0.86 -4.79 116.67 113.66 1x65 s ASP 49 Ca 0.00 -0.14 -0.24 0.00 0.18 0.00 0.00 52.55 52.35 1x65 s ASP 49 Cb 0.00 -1.45 0.00 0.00 1.07 0.00 0.00 42.92 42.54 1x65 s ASP 49 CO 0.00 0.25 0.82 -1.61 1.18 0.00 0.00 175.17 175.81 1x65 s GLU 50 N -0.14 4.03 0.26 8.23 2.02 -1.26 -2.32 118.70 129.53 1x65 s GLU 50 Ca 0.01 0.71 0.05 0.00 0.02 0.00 0.00 54.97 55.76 1x65 s GLU 50 Cb -0.13 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.34 1x65 s GLU 50 CO 0.03 -0.65 -0.04 0.14 0.02 0.00 0.00 175.26 174.76 1x65 s VAL 51 N 2.97 1.42 -0.08 2.63 -7.23 -1.18 -1.45 120.40 117.49 1x65 s VAL 51 Ca 0.34 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1x65 s VAL 51 Cb -0.14 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 1x65 s VAL 51 CO 0.11 -0.31 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.68 1x65 s GLU 52 N -3.78 2.56 0.07 4.82 2.12 0.18 -3.34 118.70 121.33 1x65 s GLU 52 Ca 0.29 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 1x65 s GLU 52 Cb 0.05 -2.03 -0.01 0.00 0.26 0.00 0.00 34.13 32.39 1x65 s GLU 52 CO 0.11 0.21 0.15 -0.59 -0.54 0.00 0.00 175.26 174.60 1x65 s PHE 53 N 0.23 0.20 -0.24 5.30 -0.12 -1.09 -2.28 117.98 119.96 1x65 s PHE 53 Ca -0.13 -0.61 -0.19 0.00 -0.05 0.00 0.00 56.93 55.95 1x65 s PHE 53 Cb -0.16 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 1x65 s PHE 53 CO 0.06 -0.49 0.56 0.99 -0.05 0.00 0.00 175.22 176.30 1x65 s THR 54 N -3.60 5.04 -0.23 -4.49 2.01 -1.25 -1.77 115.64 111.35 1x65 s THR 54 Ca 0.03 1.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.99 1x65 s THR 54 Cb 0.04 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1x65 s THR 54 CO -0.09 0.08 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.20 1x65 s VAL 55 N 2.25 3.50 0.01 3.82 1.01 -1.12 -4.09 120.40 125.78 1x65 s VAL 55 Ca 0.24 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1x65 s VAL 55 Cb -0.16 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1x65 s VAL 55 CO 0.09 0.40 -0.05 0.68 0.00 0.00 0.00 175.10 176.22 1x65 s VAL 56 N 1.49 0.32 0.06 2.92 -7.23 -1.26 -4.85 120.40 111.86 1x65 s VAL 56 Ca 0.06 -0.52 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 1x65 s VAL 56 Cb -0.14 -0.34 -0.07 0.00 0.56 0.00 0.00 36.38 36.39 1x65 s VAL 56 CO -0.02 -0.14 1.40 -2.16 -0.31 0.00 0.00 175.10 173.87 1x65 s PRO 57 N -0.71 4.30 0.76 4.82 0.04 -1.26 -4.49 135.00 138.47 1x65 s PRO 57 Ca -0.04 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1x65 s PRO 57 Cb -0.05 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.13 1x65 s PRO 57 CO -0.00 -0.50 1.13 -0.51 0.04 0.00 0.00 177.00 177.16 1x65 s ASP 58 N 1.51 4.29 -0.07 6.66 1.01 -1.26 -4.83 116.67 123.98 1x65 s ASP 58 Ca 0.65 2.07 -0.24 0.00 0.71 0.00 0.00 52.55 55.73 1x65 s ASP 58 Cb -0.34 -2.55 -0.27 0.00 1.01 0.00 0.00 42.92 40.76 1x65 s ASP 58 CO 0.29 -2.19 0.92 0.24 0.21 0.00 0.00 175.17 174.63 1x65 h MET 59 N -0.76 0.20 -0.86 8.23 2.86 -1.96 -0.87 114.93 121.78 1x65 h MET 59 Ca -0.45 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.01 1x65 h MET 59 Cb 1.26 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.89 1x65 h MET 59 CO 0.50 1.09 -0.37 1.28 1.06 0.00 0.00 176.91 180.47 1x65 n LEU 60 N -4.35 -0.63 -1.82 1.22 4.77 -1.26 -4.28 117.00 110.66 1x65 n LEU 60 Ca -0.12 1.50 -0.01 0.00 -0.03 0.00 0.00 56.01 57.36 1x65 n LEU 60 Cb 0.65 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1x65 n LEU 60 CO 0.42 -1.32 0.35 -1.54 -1.33 0.00 0.00 177.39 173.98 1x65 n SER 61 N -5.22 -0.38 -3.04 -1.43 3.41 -1.26 -4.97 113.62 100.73 1x65 n SER 61 Ca 0.07 -1.30 -0.22 0.00 -0.26 0.00 0.00 58.87 57.16 1x65 n SER 61 Cb 0.32 0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x65 n ALA 62 N -0.35 -0.99 -0.89 7.33 0.00 -0.33 -4.93 120.51 120.34 1x65 n ALA 62 Ca -0.05 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 1x65 n ALA 62 Cb 0.59 -4.03 0.08 0.00 0.00 0.00 0.00 19.45 16.09 1x65 n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x65 n GLN 63 N -4.10 -0.29 -1.52 0.00 6.02 -1.26 -4.51 117.38 111.71 1x65 n GLN 63 Ca -0.11 -0.07 -0.34 0.00 -0.01 0.00 0.00 57.00 56.48 1x65 n GLN 63 Cb 0.62 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 30.39 1x65 n GLN 63 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x65 n ARG 64 N 0.56 0.35 -0.93 -1.09 3.00 -1.26 -4.22 116.66 113.07 1x65 n ARG 64 Ca 0.01 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.85 57.47 1x65 n ARG 64 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.86 1x65 n ARG 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1x65 n ASN 65 N 12.08 -2.23 -4.62 0.55 0.23 -1.26 -4.96 115.26 115.04 1x65 n ASN 65 Ca 0.56 0.56 -0.23 0.00 -0.53 0.00 0.00 54.58 54.94 1x65 n ASN 65 Cb 0.23 -0.63 -0.08 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.28 2.63 -0.12 -2.53 -3.43 -1.26 -4.83 115.29 104.48 1x65 s HIS 66 Ca 0.42 -0.25 -0.03 0.00 -0.80 0.00 0.00 55.06 54.41 1x65 s HIS 66 Cb -0.43 -1.18 -0.03 0.00 -1.43 0.00 0.00 32.58 29.51 1x65 s HIS 66 CO 0.46 0.63 -0.01 0.00 -2.00 0.00 0.00 174.74 173.82 1x65 s ALA 67 N -2.36 3.18 0.20 -1.38 0.00 -1.26 -4.41 121.76 115.72 1x65 s ALA 67 Ca 0.31 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1x65 s ALA 67 Cb -0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1x65 s ALA 67 CO 0.19 0.43 -0.17 0.96 0.00 0.00 0.00 175.76 177.17 1x65 s ILE 68 N -0.36 1.92 -0.34 0.00 -4.36 -1.26 -4.85 121.20 111.95 1x65 s ILE 68 Ca 0.07 -2.13 -0.30 0.00 -0.26 0.00 0.00 60.65 58.03 1x65 s ILE 68 Cb -0.12 -2.01 0.05 0.00 1.25 0.00 0.00 42.46 41.62 1x65 s ILE 68 CO 0.02 -0.44 0.50 0.54 0.24 0.00 0.00 174.94 175.81 1x65 n ARG 69 N -0.14 -1.48 -2.57 0.37 5.12 -1.26 -3.90 116.66 112.80 1x65 n ARG 69 Ca -0.10 1.15 -0.43 0.00 -1.93 0.00 0.00 57.85 56.54 1x65 n ARG 69 Cb 0.59 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 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 -1.20 4.33 -0.12 0.55 1.01 -0.19 -4.59 121.20 120.99 1x65 s ILE 70 Ca 0.29 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.45 1x65 s ILE 70 Cb -0.03 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.06 1x65 s ILE 70 CO 0.66 -0.61 -0.17 -0.75 0.00 0.00 0.00 174.94 174.07 1x65 s LYS 71 N 4.00 2.47 0.55 2.79 2.36 -0.97 -4.20 119.74 126.74 1x65 s LYS 71 Ca 0.49 -0.65 -0.20 0.00 -2.55 0.00 0.00 55.97 53.05 1x65 s LYS 71 Cb -0.12 -2.05 -0.05 0.00 -1.05 0.00 0.00 37.83 34.56 1x65 s LYS 71 CO 0.21 -0.04 1.22 0.21 1.55 0.00 0.00 175.35 178.51 1x65 s LYS 72 N 0.91 3.22 0.03 4.03 2.20 -1.26 0.47 119.74 129.34 1x65 s LYS 72 Ca -0.07 1.88 0.02 0.00 -0.36 0.00 0.00 55.97 57.44 1x65 s LYS 72 Cb -0.15 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 1x65 s LYS 72 CO -0.01 -1.02 0.02 -0.51 -0.36 0.00 0.00 175.35 173.46 1x65 s LEU 73 N -3.70 3.58 0.53 5.43 1.43 -0.53 -4.81 118.68 120.62 1x65 s LEU 73 Ca 0.73 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 1x65 s LEU 73 Cb -0.32 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1x65 s LEU 73 CO 0.36 0.24 1.13 -2.16 0.23 0.00 0.00 176.35 176.15 1x65 s PRO 74 N -1.88 3.41 0.57 1.29 0.04 -1.26 -4.86 135.00 132.30 1x65 s PRO 74 Ca 0.23 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1x65 s PRO 74 Cb -0.12 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1x65 s PRO 74 CO 0.14 -0.81 1.10 1.63 0.04 0.00 0.00 177.00 179.10 1x65 n LYS 75 N -1.20 1.18 -1.36 4.56 4.01 -1.26 -4.08 118.16 120.00 1x65 n LYS 75 Ca 0.11 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1x65 n LYS 75 Cb 0.51 -2.29 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x65 n GLY 76 N 1.11 0.62 1.58 0.72 0.00 -1.26 -4.97 105.19 102.99 1x65 n GLY 76 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1x65 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x65 n THR 77 N -0.88 0.00 -2.07 2.61 -1.04 -1.26 -5.14 114.28 106.51 1x65 n THR 77 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1x65 n THR 77 Cb 0.37 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.90 1x65 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x65 s VAL 78 N -1.49 3.57 0.00 12.58 1.01 -1.26 -5.04 120.40 129.77 1x65 s VAL 78 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1x65 s VAL 78 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1x65 s VAL 78 CO 0.00 -0.38 0.00 -0.24 0.00 0.00 0.00 175.10 174.48 1x65 n SER 79 N -1.89 0.00 -1.72 3.32 2.88 -1.26 -4.91 113.62 110.04 1x65 n SER 79 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1x65 n SER 79 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1x65 n SER 79 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x65 n PHE 80 N -0.81 -4.56 -1.35 0.66 3.01 -1.26 -4.94 117.46 108.21 1x65 n PHE 80 Ca 0.00 2.39 -0.30 0.00 1.01 0.00 0.00 57.45 60.56 1x65 n PHE 80 Cb 0.00 -3.59 0.13 0.00 -0.01 0.00 0.00 39.48 36.01 1x65 n PHE 80 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1x65 s HIS 81 N -2.57 2.48 -0.19 1.38 3.76 -1.26 -5.02 115.29 113.87 1x65 s HIS 81 Ca 0.00 1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 56.05 1x65 s HIS 81 Cb 0.00 -3.18 -0.11 0.00 1.11 0.00 0.00 32.58 30.41 1x65 s HIS 81 CO 0.00 -2.23 -0.20 0.43 -0.85 0.00 0.00 174.74 171.89 1x65 n SER 82 N -3.75 2.13 -4.92 1.40 7.64 -1.26 -4.91 113.62 109.94 1x65 n SER 82 Ca 0.07 0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1x65 n SER 82 Cb 0.56 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1x65 n SER 82 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1x65 s HIS 83 N -2.37 3.49 -0.95 1.43 3.76 -1.26 -4.43 115.29 114.96 1x65 s HIS 83 Ca -0.26 0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 1x65 s HIS 83 Cb 0.08 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1x65 s HIS 83 CO 0.40 0.55 0.54 0.45 -0.85 0.00 0.00 174.74 175.84 1x65 n SER 84 N -0.09 -4.63 -1.43 1.40 2.88 -1.26 -5.03 113.62 105.47 1x65 n SER 84 Ca -0.06 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1x65 n SER 84 Cb 0.52 -3.38 0.00 0.00 -0.75 0.00 0.00 64.21 60.61 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x65 n GLY 85 N -1.34 0.80 0.00 0.46 0.00 -1.26 -4.91 105.19 98.93 1x65 n GLY 85 Ca -0.04 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.22 1x65 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x65 n PRO 86 N 0.00 0.49 0.00 1.61 -0.04 -1.26 -4.86 135.00 130.93 1x65 n PRO 86 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x65 n PRO 86 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1x65 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x65 n SER 87 N -0.87 0.00 -4.69 3.54 2.88 -1.26 -4.94 113.62 108.29 1x65 n SER 87 Ca 0.09 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.09 1x65 n SER 87 Cb 0.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 1x65 n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x65 n SER 88 N 3.60 2.78 0.00 -3.46 2.88 -1.26 -5.16 113.62 112.99 1x65 n SER 88 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1x65 n SER 88 Cb 0.00 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42