#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 6.49 -0.13 1.61 0.15 -1.26 -5.09 113.70 115.47 1x65 s SER 2 Ca 0.00 0.77 -0.33 0.00 0.70 0.00 0.00 55.95 57.09 1x65 s SER 2 Cb 0.00 -2.17 0.13 0.00 -1.71 0.00 0.00 66.02 62.28 1x65 s SER 2 CO 0.00 -0.17 1.24 -0.94 1.20 0.00 0.00 173.24 174.57 1x65 s SER 3 N -2.97 -0.11 0.00 5.45 1.04 -1.26 -5.17 113.70 110.68 1x65 s SER 3 Ca 0.45 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1x65 s SER 3 Cb -0.11 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1x65 s SER 3 CO 0.28 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1x65 n GLY 4 N -0.23 3.13 2.29 7.32 0.00 -1.26 -5.12 105.19 111.31 1x65 n GLY 4 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x65 n SER 5 N 0.00 -1.67 0.00 1.61 2.88 -1.26 -5.04 113.62 110.14 1x65 n SER 5 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1x65 n SER 5 Cb 0.00 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.19 1x65 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x65 n SER 6 N 1.32 0.00 -3.15 -3.46 7.64 -1.26 -5.09 113.62 109.62 1x65 n SER 6 Ca -0.28 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.64 1x65 n SER 6 Cb 0.44 0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1x65 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x65 s GLY 7 N -3.23 -1.16 -0.02 0.23 0.00 -1.26 -5.10 107.32 96.78 1x65 s GLY 7 Ca 0.00 1.39 0.02 0.00 0.00 0.00 0.00 44.72 46.12 1x65 s GLY 7 CO 0.00 3.78 -0.04 1.09 0.00 0.00 0.00 173.10 177.93 1x65 s ARG 8 N 2.86 2.69 0.18 2.90 3.03 -1.26 -0.59 118.95 128.76 1x65 s ARG 8 Ca 0.15 -0.63 0.09 0.00 2.03 0.00 0.00 55.73 57.37 1x65 s ARG 8 Cb -0.08 -2.59 -0.04 0.00 -1.03 0.00 0.00 34.95 31.20 1x65 s ARG 8 CO -0.25 0.63 -0.13 -1.21 -1.13 0.00 0.00 175.30 173.22 1x65 s GLU 9 N -1.28 1.95 -0.02 3.89 0.41 0.01 -4.92 118.70 118.74 1x65 s GLU 9 Ca 0.16 -1.31 0.03 0.00 -0.41 0.00 0.00 54.97 53.44 1x65 s GLU 9 Cb -0.11 -2.10 -0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1x65 s GLU 9 CO 0.07 0.43 -0.11 -1.64 -0.49 0.00 0.00 175.26 173.51 1x65 s MET 10 N -2.77 1.06 0.00 1.61 -1.94 -1.26 -2.15 119.30 113.86 1x65 s MET 10 Ca 0.24 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 1x65 s MET 10 Cb -0.09 -0.99 0.00 0.00 2.01 0.00 0.00 34.83 35.77 1x65 s MET 10 CO 0.14 0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.74 1x65 n GLY 11 N 3.09 4.28 2.95 -0.03 0.00 -1.20 -4.35 105.19 109.93 1x65 n GLY 11 Ca -0.17 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 0.42 0.28 0.35 1.61 -7.23 -0.90 -3.57 120.40 111.35 1x65 s VAL 12 Ca 0.00 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.51 1x65 s VAL 12 Cb 0.00 -0.29 -0.10 0.00 0.56 0.00 0.00 36.38 36.56 1x65 s VAL 12 CO 0.00 -0.07 1.26 -0.63 -0.31 0.00 0.00 175.10 175.35 1x65 s ILE 13 N -0.45 2.85 -0.14 -0.62 -1.09 -1.21 -0.12 121.20 120.41 1x65 s ILE 13 Ca -0.03 0.82 0.06 0.00 -2.23 0.00 0.00 60.65 59.28 1x65 s ILE 13 Cb -0.04 -3.51 -0.13 0.00 -1.58 0.00 0.00 42.46 37.21 1x65 s ILE 13 CO -0.00 0.17 -0.04 0.00 -1.23 0.00 0.00 174.94 173.84 1x65 n ALA 14 N 0.65 1.69 -2.95 9.38 0.00 0.44 -2.58 120.51 127.14 1x65 n ALA 14 Ca 0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 1x65 n ALA 14 Cb 0.43 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.30 -0.59 -0.29 0.00 0.00 -1.23 -4.95 121.76 112.40 1x65 s ALA 15 Ca -0.13 -0.09 0.18 0.00 0.00 0.00 0.00 51.96 51.92 1x65 s ALA 15 Cb 0.04 0.33 0.48 0.00 0.00 0.00 0.00 23.12 23.98 1x65 s ALA 15 CO 0.43 -0.41 1.09 -1.33 0.00 0.00 0.00 175.76 175.53 1x65 n MET 16 N 0.54 2.04 -1.33 0.00 0.00 -1.26 -1.29 117.12 115.82 1x65 n MET 16 Ca -0.18 -3.63 -0.40 0.00 0.00 0.00 0.00 57.70 53.48 1x65 n MET 16 Cb 0.60 -1.69 0.01 0.00 0.00 0.00 0.00 33.22 32.14 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 -0.49 0.16 -1.62 0.03 5.12 0.67 -4.64 116.66 115.87 1x65 n ARG 17 Ca 0.16 0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 1x65 n ARG 17 Cb 0.82 -1.18 -0.06 0.00 -1.16 0.00 0.00 32.46 30.88 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1x65 s ASP 18 N -1.02 4.09 0.00 0.55 1.01 -1.26 -1.08 116.67 118.96 1x65 s ASP 18 Ca 0.60 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.97 1x65 s ASP 18 Cb -0.55 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.84 1x65 s ASP 18 CO 0.62 -3.64 0.00 0.61 0.21 0.00 0.00 175.17 172.97 1x65 n GLY 19 N 6.71 1.10 3.77 0.21 0.00 -1.26 -5.09 105.19 110.63 1x65 n GLY 19 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 1x65 n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x65 s PHE 20 N -0.65 0.18 0.00 1.61 -0.71 -0.24 -4.17 117.98 113.99 1x65 s PHE 20 Ca 0.00 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.14 1x65 s PHE 20 Cb 0.00 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 1x65 s PHE 20 CO 0.00 -1.45 0.00 0.41 -1.34 0.00 0.00 175.22 172.84 1x65 n GLY 21 N -0.52 3.87 3.37 1.99 0.00 -1.22 -0.24 105.19 112.44 1x65 n GLY 21 Ca -0.06 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.76 -0.40 -0.19 1.61 0.08 -0.41 -3.90 117.98 113.02 1x65 s PHE 22 Ca 0.00 0.66 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 1x65 s PHE 22 Cb 0.00 0.24 0.05 0.00 -0.57 0.00 0.00 43.02 42.74 1x65 s PHE 22 CO 0.00 -0.49 -0.01 0.42 -0.10 0.00 0.00 175.22 175.04 1x65 s ILE 23 N -1.26 0.90 -0.22 0.64 1.01 -1.25 -0.42 121.20 120.59 1x65 s ILE 23 Ca -0.12 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 1x65 s ILE 23 Cb -0.03 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1x65 s ILE 23 CO 0.07 -0.05 0.97 -0.75 0.00 0.00 0.00 174.94 175.18 1x65 s LYS 24 N 1.70 4.25 0.47 2.79 2.20 0.82 -2.72 119.74 129.25 1x65 s LYS 24 Ca -0.01 1.23 -0.20 0.00 -0.36 0.00 0.00 55.97 56.63 1x65 s LYS 24 Cb -0.17 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.43 1x65 s LYS 24 CO -0.07 -0.57 0.98 0.00 -0.36 0.00 0.00 175.35 175.33 1x65 h VAL 26 N 1.58 1.44 0.00 0.00 -1.51 -1.96 -3.36 116.25 112.44 1x65 h VAL 26 Ca -0.49 -2.10 -0.25 0.00 -1.23 0.00 0.00 66.70 62.63 1x65 h VAL 26 Cb 1.19 2.13 -0.04 0.00 -2.13 0.00 0.00 31.29 32.44 1x65 h VAL 26 CO 0.60 0.60 -1.91 -0.67 -1.23 0.00 0.00 177.57 174.96 1x65 n ASP 27 N -3.81 2.17 -4.70 4.19 2.03 -1.26 -4.97 116.55 110.19 1x65 n ASP 27 Ca -0.01 0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 1x65 n ASP 27 Cb 0.61 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.64 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x65 s ARG 28 N -2.31 4.49 -0.21 -0.67 0.52 -1.26 -4.92 118.95 114.58 1x65 s ARG 28 Ca -0.22 1.47 0.01 0.00 -0.52 0.00 0.00 55.73 56.46 1x65 s ARG 28 Cb 0.07 -3.48 0.23 0.00 0.52 0.00 0.00 34.95 32.29 1x65 s ARG 28 CO 0.34 -0.19 1.60 -0.25 0.02 0.00 0.00 175.30 176.82 1x65 n ASP 29 N 4.36 4.39 -3.97 0.23 9.92 -1.26 -3.46 116.55 126.77 1x65 n ASP 29 Ca 0.08 -2.75 -0.17 0.00 -0.53 0.00 0.00 54.79 51.42 1x65 n ASP 29 Cb 0.49 -0.79 -0.15 0.00 -0.64 0.00 0.00 41.12 40.03 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 -1.52 0.49 0.52 2.53 -7.23 -1.26 -5.05 120.40 108.88 1x65 s VAL 30 Ca 0.24 -0.25 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1x65 s VAL 30 Cb 0.19 -0.42 -0.06 0.00 0.56 0.00 0.00 36.38 36.66 1x65 s VAL 30 CO 0.03 0.14 0.93 -0.13 -0.31 0.00 0.00 175.10 175.76 1x65 s ARG 31 N -0.08 3.77 -0.59 4.82 0.52 -1.26 -4.14 118.95 121.98 1x65 s ARG 31 Ca 0.02 0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.93 1x65 s ARG 31 Cb -0.03 -2.20 0.15 0.00 0.52 0.00 0.00 34.95 33.39 1x65 s ARG 31 CO -0.00 -0.30 0.38 1.41 0.02 0.00 0.00 175.30 176.81 1x65 s MET 32 N -4.42 2.37 -0.64 3.54 -2.45 -1.10 -4.86 119.30 111.74 1x65 s MET 32 Ca 0.55 -2.55 -0.28 0.00 -1.25 0.00 0.00 55.69 52.16 1x65 s MET 32 Cb -0.10 -3.60 -0.12 0.00 1.25 0.00 0.00 34.83 32.25 1x65 s MET 32 CO 0.39 -1.15 2.49 0.34 1.05 0.00 0.00 175.02 178.15 1x65 n PHE 33 N 3.39 1.16 -3.59 4.11 7.35 -1.26 -3.97 117.46 124.65 1x65 n PHE 33 Ca 0.07 0.21 -0.20 0.00 -0.76 0.00 0.00 57.45 56.77 1x65 n PHE 33 Cb 0.36 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.64 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 10.77 3.22 0.18 -5.13 -0.71 -1.25 -4.78 117.98 120.28 1x65 s PHE 34 Ca 1.11 -0.14 0.08 0.00 -1.04 0.00 0.00 56.93 56.94 1x65 s PHE 34 Cb -0.58 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.30 1x65 s PHE 34 CO 0.35 0.11 0.00 -1.01 -1.34 0.00 0.00 175.22 173.33 1x65 s HIS 35 N -2.13 2.83 -0.06 3.49 3.76 -1.26 -3.37 115.29 118.55 1x65 s HIS 35 Ca 0.42 -0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1x65 s HIS 35 Cb -0.09 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.24 1x65 s HIS 35 CO 0.31 0.53 2.17 1.19 -0.85 0.00 0.00 174.74 178.08 1x65 n PHE 36 N -0.20 0.26 0.00 1.40 3.72 -1.26 -3.31 117.46 118.07 1x65 n PHE 36 Ca -0.09 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 1x65 n PHE 36 Cb 0.55 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x65 n SER 37 N 1.41 3.65 0.02 4.37 7.64 -1.26 -4.69 113.62 124.76 1x65 n SER 37 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.10 1x65 n SER 37 Cb 0.55 0.52 0.35 0.00 -1.01 0.00 0.00 64.21 64.63 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 -1.38 0.07 0.00 1.43 -0.58 -1.21 -3.61 120.64 115.36 1x65 n GLU 38 Ca 0.00 0.03 0.10 0.00 -0.42 0.00 0.00 57.16 56.87 1x65 n GLU 38 Cb 0.21 -1.55 0.57 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.17 -3.67 5.41 -1.26 -0.21 119.36 118.15 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 -0.67 0.76 0.00 -0.71 0.00 0.00 39.64 39.39 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 -1.43 1.39 8.10 -1.82 -1.94 115.31 119.60 1x65 h LEU 40 Ca 0.00 0.00 0.46 0.00 0.11 0.00 0.00 57.88 58.45 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 0.90 -0.78 -4.11 0.00 0.00 178.44 174.45 1x65 h ASP 41 N 0.00 0.21 0.00 0.17 1.82 -1.69 -3.44 116.42 113.48 1x65 h ASP 41 Ca 0.13 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1x65 h ASP 41 Cb 0.95 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1x65 h ASP 41 CO -0.00 -0.21 0.00 0.61 -1.61 0.00 0.00 179.24 178.03 1x65 n GLY 42 N -1.55 0.72 0.00 -0.78 0.00 -0.73 -5.05 105.19 97.81 1x65 n GLY 42 Ca 0.39 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.55 1.61 3.02 -1.26 -4.79 115.26 109.28 1x65 n ASN 43 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1x65 n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1x65 s GLN 44 N 0.00 2.92 1.02 3.52 0.74 -1.26 -4.93 119.66 121.66 1x65 s GLN 44 Ca 0.00 0.05 -0.13 0.00 0.05 0.00 0.00 55.36 55.33 1x65 s GLN 44 Cb 0.00 -4.45 0.14 0.00 1.10 0.00 0.00 33.01 29.79 1x65 s GLN 44 CO 0.00 -2.52 0.70 1.28 -0.55 0.00 0.00 175.29 174.20 1x65 n LEU 45 N 11.24 0.32 -3.47 3.68 4.77 -1.26 -5.05 117.00 127.24 1x65 n LEU 45 Ca 0.17 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 1x65 n LEU 45 Cb 0.50 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1x65 n LEU 45 CO 0.70 -3.01 0.41 -1.38 -1.33 0.00 0.00 177.39 172.78 1x65 s HIS 46 N -2.45 -0.58 -0.31 -1.77 -3.43 -1.26 -5.08 115.29 100.40 1x65 s HIS 46 Ca 0.62 0.65 -0.42 0.00 -0.80 0.00 0.00 55.06 55.11 1x65 s HIS 46 Cb -0.21 0.49 -0.17 0.00 -1.43 0.00 0.00 32.58 31.26 1x65 s HIS 46 CO 0.64 -0.75 1.62 -0.89 -2.00 0.00 0.00 174.74 173.36 1x65 n ILE 47 N 0.15 0.16 -2.74 -5.38 2.08 -1.26 -1.28 119.36 111.09 1x65 n ILE 47 Ca -0.18 -0.03 -0.09 0.00 0.56 0.00 0.00 62.75 63.01 1x65 n ILE 47 Cb 0.62 -0.87 0.05 0.00 -0.75 0.00 0.00 39.64 38.69 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 4.45 -1.14 -2.66 -1.39 0.00 -1.07 -4.95 120.51 113.75 1x65 n ALA 48 Ca 0.27 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1x65 n ALA 48 Cb 0.06 -1.71 -0.12 0.00 0.00 0.00 0.00 19.45 17.69 1x65 n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x65 s ASP 49 N -3.68 4.64 -0.15 0.00 2.15 -0.41 -4.82 116.67 114.40 1x65 s ASP 49 Ca 0.02 -0.05 -0.29 0.00 0.43 0.00 0.00 52.55 52.66 1x65 s ASP 49 Cb -0.00 -1.28 -0.01 0.00 -0.30 0.00 0.00 42.92 41.33 1x65 s ASP 49 CO 0.39 0.32 1.06 -1.61 -0.17 0.00 0.00 175.17 175.17 1x65 s GLU 50 N -0.58 4.34 0.10 4.34 2.02 -1.26 -3.33 118.70 124.33 1x65 s GLU 50 Ca 0.09 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1x65 s GLU 50 Cb -0.12 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1x65 s GLU 50 CO 0.02 -0.48 -0.02 0.14 0.02 0.00 0.00 175.26 174.94 1x65 s VAL 51 N 2.59 0.40 -0.08 2.63 -7.23 -1.23 -0.53 120.40 116.95 1x65 s VAL 51 Ca 0.48 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1x65 s VAL 51 Cb -0.18 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.02 1x65 s VAL 51 CO 0.14 -0.78 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.40 1x65 s GLU 52 N -3.92 1.03 0.12 4.82 2.12 -0.62 -3.22 118.70 119.02 1x65 s GLU 52 Ca 0.14 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1x65 s GLU 52 Cb 0.07 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 1x65 s GLU 52 CO -0.04 -0.22 -0.10 -0.59 -0.54 0.00 0.00 175.26 173.77 1x65 s PHE 53 N 1.55 1.14 -0.05 5.30 -0.12 -0.91 -3.34 117.98 121.55 1x65 s PHE 53 Ca -0.00 -0.71 -0.21 0.00 -0.05 0.00 0.00 56.93 55.96 1x65 s PHE 53 Cb -0.13 -0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 41.61 1x65 s PHE 53 CO -0.04 0.02 0.62 0.99 -0.05 0.00 0.00 175.22 176.76 1x65 s THR 54 N -2.84 5.00 -0.28 -4.49 2.01 -1.26 -0.81 115.64 112.98 1x65 s THR 54 Ca 0.10 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.32 1x65 s THR 54 Cb -0.00 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1x65 s THR 54 CO -0.00 0.34 0.07 -0.69 -0.69 0.00 0.00 174.62 173.64 1x65 s VAL 55 N 0.33 3.97 -0.09 3.82 1.01 0.24 -4.06 120.40 125.61 1x65 s VAL 55 Ca 0.33 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1x65 s VAL 55 Cb -0.18 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1x65 s VAL 55 CO 0.16 0.16 0.37 0.68 0.00 0.00 0.00 175.10 176.48 1x65 s VAL 56 N 1.52 0.02 0.62 2.92 -7.23 -1.26 -4.60 120.40 112.39 1x65 s VAL 56 Ca 0.04 -0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 1x65 s VAL 56 Cb -0.16 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1x65 s VAL 56 CO 0.02 -0.10 1.12 -2.16 -0.31 0.00 0.00 175.10 173.66 1x65 s PRO 57 N -0.47 2.98 0.32 4.82 0.04 -1.26 -3.94 135.00 137.50 1x65 s PRO 57 Ca -0.06 1.46 0.10 0.00 0.04 0.00 0.00 61.00 62.54 1x65 s PRO 57 Cb -0.04 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x65 s PRO 57 CO 0.02 -1.12 -0.07 -0.51 0.04 0.00 0.00 177.00 175.37 1x65 s ASP 58 N -2.33 3.94 0.17 6.66 1.11 -1.23 -5.02 116.67 119.97 1x65 s ASP 58 Ca 0.69 -1.04 0.25 0.00 0.18 0.00 0.00 52.55 52.62 1x65 s ASP 58 Cb -0.22 -0.45 0.91 0.00 1.07 0.00 0.00 42.92 44.24 1x65 s ASP 58 CO 0.37 -0.15 1.75 1.15 1.18 0.00 0.00 175.17 179.46 1x65 n MET 59 N -0.83 0.18 -0.17 8.23 0.00 -1.26 -3.38 117.12 119.89 1x65 n MET 59 Ca -0.05 0.25 -0.08 0.00 0.00 0.00 0.00 57.70 57.83 1x65 n MET 59 Cb 0.62 -1.75 0.01 0.00 0.00 0.00 0.00 33.22 32.10 1x65 n MET 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1x65 h LEU 60 N 0.00 0.60 -8.56 3.17 3.38 -1.95 -3.46 115.31 108.49 1x65 h LEU 60 Ca 0.00 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1x65 h LEU 60 Cb 0.53 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 1x65 h LEU 60 CO 0.00 0.50 -0.48 -0.44 0.09 0.00 0.00 178.44 178.11 1x65 s SER 61 N -5.76 0.34 -0.04 -0.43 0.01 -1.22 -5.07 113.70 101.53 1x65 s SER 61 Ca -0.13 -1.35 -0.17 0.00 1.31 0.00 0.00 55.95 55.60 1x65 s SER 61 Cb 0.12 0.46 -0.31 0.00 0.21 0.00 0.00 66.02 66.49 1x65 s SER 61 CO 0.75 -0.96 0.81 0.00 0.41 0.00 0.00 173.24 174.25 1x65 h ALA 62 N 2.46 -0.01 -3.13 1.44 0.00 -1.89 -3.39 119.26 114.73 1x65 h ALA 62 Ca -0.32 -0.90 -0.62 0.00 0.00 0.00 0.00 54.91 53.07 1x65 h ALA 62 Cb 1.25 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.89 1x65 h ALA 62 CO 0.47 0.66 -0.63 -1.14 0.00 0.00 0.00 179.25 178.60 1x65 s GLN 63 N -2.51 2.09 -0.30 0.00 0.74 -1.26 -4.89 119.66 113.53 1x65 s GLN 63 Ca -0.14 -2.90 -0.11 0.00 0.05 0.00 0.00 55.36 52.26 1x65 s GLN 63 Cb 0.03 -3.16 0.18 0.00 1.10 0.00 0.00 33.01 31.16 1x65 s GLN 63 CO 0.85 -1.22 0.99 0.50 -0.55 0.00 0.00 175.29 175.86 1x65 s ARG 64 N -0.79 0.23 0.47 1.67 3.52 -1.26 -5.13 118.95 117.66 1x65 s ARG 64 Ca 0.22 0.37 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 1x65 s ARG 64 Cb -0.13 0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.53 1x65 s ARG 64 CO -0.10 -0.28 0.60 0.09 -0.81 0.00 0.00 175.30 174.80 1x65 n ASN 65 N 5.41 1.88 -3.65 -2.12 3.02 -1.26 -3.58 115.26 114.96 1x65 n ASN 65 Ca -0.03 -2.33 -0.15 0.00 -0.03 0.00 0.00 54.58 52.04 1x65 n ASN 65 Cb 0.54 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1x65 s HIS 66 N -2.02 -0.47 -0.25 3.10 -3.43 -1.25 -5.02 115.29 105.95 1x65 s HIS 66 Ca 0.45 0.89 -0.18 0.00 -0.80 0.00 0.00 55.06 55.42 1x65 s HIS 66 Cb -0.04 0.24 -0.03 0.00 -1.43 0.00 0.00 32.58 31.33 1x65 s HIS 66 CO 0.29 -0.45 0.51 0.00 -2.00 0.00 0.00 174.74 173.08 1x65 s ALA 67 N -0.88 3.58 0.21 -1.38 0.00 -1.26 -4.44 121.76 117.59 1x65 s ALA 67 Ca -0.09 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1x65 s ALA 67 Cb -0.03 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1x65 s ALA 67 CO 0.06 -0.67 -0.01 0.96 0.00 0.00 0.00 175.76 176.10 1x65 s ILE 68 N 2.15 3.57 -0.47 0.00 -4.36 -1.26 -4.80 121.20 116.03 1x65 s ILE 68 Ca 0.21 -1.65 -0.32 0.00 -0.26 0.00 0.00 60.65 58.63 1x65 s ILE 68 Cb -0.16 -2.84 0.05 0.00 1.25 0.00 0.00 42.46 40.76 1x65 s ILE 68 CO 0.09 -0.23 0.61 0.54 0.24 0.00 0.00 174.94 176.20 1x65 n ARG 69 N -0.45 -1.74 -2.58 0.37 5.12 -1.26 -4.05 116.66 112.08 1x65 n ARG 69 Ca -0.08 1.22 -0.43 0.00 -1.93 0.00 0.00 57.85 56.63 1x65 n ARG 69 Cb 0.57 -1.87 -0.02 0.00 -1.16 0.00 0.00 32.46 29.98 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 -1.56 4.55 0.12 0.55 1.01 0.71 -4.74 121.20 121.84 1x65 s ILE 70 Ca 0.31 1.84 0.09 0.00 0.00 0.00 0.00 60.65 62.90 1x65 s ILE 70 Cb -0.03 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1x65 s ILE 70 CO 0.82 -0.04 -0.22 -0.75 0.00 0.00 0.00 174.94 174.75 1x65 s LYS 71 N 2.37 1.23 -0.17 2.79 2.20 -1.21 -4.01 119.74 122.94 1x65 s LYS 71 Ca 0.51 -1.26 -0.17 0.00 -0.36 0.00 0.00 55.97 54.69 1x65 s LYS 71 Cb -0.20 -1.51 -0.04 0.00 -1.51 0.00 0.00 37.83 34.57 1x65 s LYS 71 CO 0.17 0.34 0.43 0.21 -0.36 0.00 0.00 175.35 176.15 1x65 s LYS 72 N -2.14 4.24 0.23 4.03 2.20 -1.26 -1.59 119.74 125.46 1x65 s LYS 72 Ca 0.10 0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.81 1x65 s LYS 72 Cb -0.09 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 1x65 s LYS 72 CO 0.05 0.05 0.76 -0.51 -0.36 0.00 0.00 175.35 175.34 1x65 s LEU 73 N 1.02 4.37 0.70 5.43 1.43 0.31 -4.95 118.68 126.99 1x65 s LEU 73 Ca 0.22 1.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1x65 s LEU 73 Cb -0.15 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1x65 s LEU 73 CO 0.08 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.64 1x65 s PRO 74 N -1.90 2.62 0.35 1.29 0.04 -1.26 -4.72 135.00 131.41 1x65 s PRO 74 Ca 0.43 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1x65 s PRO 74 Cb -0.18 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1x65 s PRO 74 CO 0.22 -1.38 1.42 1.63 0.04 0.00 0.00 177.00 178.93 1x65 n LYS 75 N -2.80 2.46 -0.97 4.56 4.01 -1.26 -4.04 118.16 120.11 1x65 n LYS 75 Ca 0.10 0.86 0.00 0.00 -0.51 0.00 0.00 58.31 58.76 1x65 n LYS 75 Cb 0.52 -2.54 0.00 0.00 -0.51 0.00 0.00 35.03 32.50 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 0.77 0.88 2.10 0.72 0.00 -1.26 -5.03 105.19 103.38 1x65 n GLY 76 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.96 0.00 -3.99 2.61 -1.04 -1.26 -5.13 114.28 104.51 1x65 n THR 77 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1x65 n THR 77 Cb 0.32 -0.25 -0.04 0.00 -1.82 0.00 0.00 70.33 68.54 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 -2.00 5.02 0.04 12.58 1.01 -1.26 -5.10 120.40 130.69 1x65 s VAL 78 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 1x65 s VAL 78 Cb 0.00 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.95 1x65 s VAL 78 CO 0.00 -0.01 1.21 -0.44 0.00 0.00 0.00 175.10 175.87 1x65 s SER 79 N -2.90 -0.02 0.44 3.32 0.01 -1.26 -5.12 113.70 108.17 1x65 s SER 79 Ca 0.33 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.33 1x65 s SER 79 Cb -0.11 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.31 1x65 s SER 79 CO 0.26 -0.49 0.01 -0.36 0.41 0.00 0.00 173.24 173.08 1x65 s PHE 80 N -2.20 2.26 0.08 2.43 0.40 -1.26 -5.03 117.98 114.65 1x65 s PHE 80 Ca 0.23 -0.80 -0.34 0.00 -0.60 0.00 0.00 56.93 55.42 1x65 s PHE 80 Cb 0.00 -1.68 -0.18 0.00 0.51 0.00 0.00 43.02 41.68 1x65 s PHE 80 CO 0.00 0.33 1.60 1.25 0.70 0.00 0.00 175.22 179.10 1x65 h HIS 81 N 1.66 -1.09 -2.39 0.36 2.76 -2.03 -3.44 115.15 110.99 1x65 h HIS 81 Ca -0.44 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 57.66 1x65 h HIS 81 Cb 1.26 0.39 -0.26 0.00 1.55 0.00 0.00 27.41 30.35 1x65 h HIS 81 CO 0.99 -0.62 -0.32 0.45 -1.30 0.00 0.00 177.93 177.13 1x65 s SER 82 N -4.32 -0.44 -0.07 3.26 0.15 -1.26 -5.14 113.70 105.89 1x65 s SER 82 Ca -0.18 1.10 -0.30 0.00 0.70 0.00 0.00 55.95 57.27 1x65 s SER 82 Cb 0.04 1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 65.87 1x65 s SER 82 CO 0.61 -0.23 1.16 -1.00 1.20 0.00 0.00 173.24 174.98 1x65 s HIS 83 N 2.67 3.26 0.80 3.44 0.09 -1.26 -5.01 115.29 119.29 1x65 s HIS 83 Ca -0.02 1.30 -0.13 0.00 -0.00 0.00 0.00 55.06 56.21 1x65 s HIS 83 Cb -0.12 -3.37 0.08 0.00 -0.00 0.00 0.00 32.58 29.17 1x65 s HIS 83 CO -0.14 -1.07 1.17 0.45 -0.00 0.00 0.00 174.74 175.15 1x65 s SER 84 N 1.39 3.75 0.45 1.40 0.15 -1.26 -4.91 113.70 114.68 1x65 s SER 84 Ca 0.54 2.23 -0.22 0.00 0.70 0.00 0.00 55.95 59.20 1x65 s SER 84 Cb -0.23 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.39 1x65 s SER 84 CO 0.21 -2.55 0.63 0.61 1.20 0.00 0.00 173.24 173.34 1x65 n GLY 85 N 0.14 -1.24 3.74 9.45 0.00 -1.26 -4.89 105.19 111.13 1x65 n GLY 85 Ca 0.12 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.77 4.40 -0.05 1.61 0.04 -1.26 -5.04 135.00 132.92 1x65 s PRO 86 Ca 0.65 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.70 1x65 s PRO 86 Cb -0.56 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 30.81 1x65 s PRO 86 CO 0.57 -0.23 0.13 -1.54 0.04 0.00 0.00 177.00 175.97 1x65 s SER 87 N 0.26 -0.12 -0.14 6.66 1.04 -1.26 -5.14 113.70 115.00 1x65 s SER 87 Ca 0.56 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1x65 s SER 87 Cb -0.36 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1x65 s SER 87 CO 0.39 -0.08 -0.14 -0.94 0.98 0.00 0.00 173.24 173.45 1x65 s SER 88 N 0.49 2.63 0.00 7.02 1.04 -1.26 -5.28 113.70 118.34 1x65 s SER 88 Ca -0.04 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1x65 s SER 88 Cb -0.05 -1.15 0.03 0.00 0.10 0.00 0.00 66.02 64.95 1x65 s SER 88 CO -0.02 -0.05 0.60 0.61 0.98 0.00 0.00 173.24 175.36