#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 3.04 -0.27 1.61 0.01 -1.26 -5.09 113.70 111.74 1x65 s SER 2 Ca 0.00 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 1x65 s SER 2 Cb 0.00 -1.15 0.16 0.00 0.21 0.00 0.00 66.02 65.24 1x65 s SER 2 CO 0.00 -0.12 0.48 -0.44 0.41 0.00 0.00 173.24 173.57 1x65 s SER 3 N 1.47 -0.53 0.00 2.44 0.01 -1.26 -4.97 113.70 110.86 1x65 s SER 3 Ca 0.01 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1x65 s SER 3 Cb -0.15 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1x65 s SER 3 CO -0.09 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1x65 n GLY 4 N 5.40 1.93 1.54 3.44 0.00 -1.26 -4.97 105.19 111.28 1x65 n GLY 4 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.95 0.00 1.61 2.88 -1.26 -5.07 113.62 109.84 1x65 n SER 5 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1x65 n SER 5 Cb 0.00 2.02 0.00 0.00 -0.75 0.00 0.00 64.21 65.48 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 -2.96 0.00 0.00 -3.46 7.64 -1.26 -2.97 113.62 110.61 1x65 n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x65 n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x65 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 7 N 0.00 0.00 3.91 0.23 0.00 -1.26 -5.16 105.19 102.90 1x65 n GLY 7 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 3.48 0.08 1.61 0.52 -1.16 -4.80 118.95 118.68 1x65 s ARG 8 Ca 0.00 0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 1x65 s ARG 8 Cb 0.00 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1x65 s ARG 8 CO 0.00 -0.29 -0.08 -1.21 0.02 0.00 0.00 175.30 173.74 1x65 s GLU 9 N -4.80 0.73 0.14 3.54 0.41 -0.55 -4.97 118.70 113.19 1x65 s GLU 9 Ca 0.49 -1.06 0.06 0.00 -0.41 0.00 0.00 54.97 54.05 1x65 s GLU 9 Cb -0.10 -0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 31.84 1x65 s GLU 9 CO 0.46 0.05 -0.02 -1.64 -0.49 0.00 0.00 175.26 173.62 1x65 s MET 10 N -2.61 2.40 -0.05 1.61 -1.94 -1.26 -2.58 119.30 114.87 1x65 s MET 10 Ca 0.01 -1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 52.70 1x65 s MET 10 Cb -0.03 -2.41 0.11 0.00 2.01 0.00 0.00 34.83 34.51 1x65 s MET 10 CO -0.01 0.49 0.89 0.20 -0.01 0.00 0.00 175.02 176.58 1x65 s GLY 11 N -2.62 -0.42 -0.15 -0.03 0.00 -1.15 -2.88 107.32 100.08 1x65 s GLY 11 Ca 0.26 1.31 -0.08 0.00 0.00 0.00 0.00 44.72 46.21 1x65 s GLY 11 CO 0.18 0.58 0.13 -1.34 0.00 0.00 0.00 173.10 172.64 1x65 s VAL 12 N -2.42 5.38 -0.02 1.40 -7.23 -1.24 -2.14 120.40 114.13 1x65 s VAL 12 Ca 0.02 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1x65 s VAL 12 Cb -0.01 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.49 1x65 s VAL 12 CO -0.05 0.55 1.70 -0.63 -0.31 0.00 0.00 175.10 176.37 1x65 s ILE 13 N -0.52 3.41 -0.80 -0.62 -1.09 -0.99 -1.31 121.20 119.29 1x65 s ILE 13 Ca 0.12 0.57 0.23 0.00 -2.23 0.00 0.00 60.65 59.34 1x65 s ILE 13 Cb -0.12 -3.37 -0.13 0.00 -1.58 0.00 0.00 42.46 37.26 1x65 s ILE 13 CO 0.02 -0.04 1.06 0.00 -1.23 0.00 0.00 174.94 174.74 1x65 n ALA 14 N 6.93 3.84 -3.50 9.38 0.00 -0.27 -1.17 120.51 135.72 1x65 n ALA 14 Ca 0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1x65 n ALA 14 Cb 0.42 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.10 -1.75 -0.26 0.00 0.00 -1.25 -4.88 121.76 110.52 1x65 s ALA 15 Ca 0.06 0.82 0.22 0.00 0.00 0.00 0.00 51.96 53.06 1x65 s ALA 15 Cb 0.16 0.56 0.50 0.00 0.00 0.00 0.00 23.12 24.33 1x65 s ALA 15 CO 0.80 -0.73 1.16 -1.33 0.00 0.00 0.00 175.76 175.66 1x65 n MET 16 N -0.29 1.66 -1.07 0.00 0.00 -1.26 -2.59 117.12 113.57 1x65 n MET 16 Ca -0.11 -3.22 -0.37 0.00 0.00 0.00 0.00 57.70 54.00 1x65 n MET 16 Cb 0.63 -1.35 0.03 0.00 0.00 0.00 0.00 33.22 32.53 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 -0.69 -0.00 -1.95 0.03 5.12 0.32 -4.63 116.66 114.86 1x65 n ARG 17 Ca 0.04 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.72 1x65 n ARG 17 Cb 0.81 -1.01 -0.06 0.00 -1.16 0.00 0.00 32.46 31.04 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 -1.01 4.76 0.00 0.55 1.01 -1.26 -2.40 116.67 118.32 1x65 s ASP 18 Ca 0.45 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.73 1x65 s ASP 18 Cb -0.26 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1x65 s ASP 18 CO 0.78 -3.23 0.00 0.61 0.21 0.00 0.00 175.17 173.54 1x65 n GLY 19 N 6.40 3.95 3.65 0.21 0.00 -1.26 -5.10 105.19 113.03 1x65 n GLY 19 Ca 0.43 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.03 0.29 0.00 1.61 -0.71 -1.01 -3.56 117.98 114.57 1x65 s PHE 20 Ca 0.00 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 1x65 s PHE 20 Cb 0.00 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1x65 s PHE 20 CO 0.00 -1.09 0.00 0.41 -1.34 0.00 0.00 175.22 173.20 1x65 n GLY 21 N -0.42 4.38 3.11 1.99 0.00 -1.15 -0.52 105.19 112.57 1x65 n GLY 21 Ca -0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.62 0.66 -0.14 1.61 0.08 -1.07 -3.90 117.98 113.60 1x65 s PHE 22 Ca 0.00 -0.87 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 1x65 s PHE 22 Cb 0.00 -0.42 0.06 0.00 -0.57 0.00 0.00 43.02 42.09 1x65 s PHE 22 CO 0.00 -0.23 0.10 0.42 -0.10 0.00 0.00 175.22 175.42 1x65 s ILE 23 N -3.18 -0.13 -1.16 0.64 1.01 -1.26 -1.12 121.20 116.01 1x65 s ILE 23 Ca 0.04 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 1x65 s ILE 23 Cb 0.02 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 42.07 1x65 s ILE 23 CO -0.05 -0.14 1.63 -0.75 0.00 0.00 0.00 174.94 175.62 1x65 s LYS 24 N 2.18 3.70 0.49 2.79 2.20 -0.43 -2.43 119.74 128.24 1x65 s LYS 24 Ca 0.03 -1.52 -0.22 0.00 -0.36 0.00 0.00 55.97 53.91 1x65 s LYS 24 Cb -0.15 -5.43 -0.08 0.00 -1.51 0.00 0.00 37.83 30.66 1x65 s LYS 24 CO -0.08 -2.35 0.98 0.00 -0.36 0.00 0.00 175.35 173.54 1x65 h VAL 26 N 1.14 1.45 0.17 0.00 2.07 -1.90 -3.30 116.25 115.87 1x65 h VAL 26 Ca -0.46 -2.36 -0.35 0.00 0.82 0.00 0.00 66.70 64.35 1x65 h VAL 26 Cb 1.35 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1x65 h VAL 26 CO 0.54 0.69 -1.75 -0.78 0.02 0.00 0.00 177.57 176.29 1x65 h ASP 27 N 0.15 0.56 -3.22 0.57 1.82 -1.91 -3.46 116.42 110.93 1x65 h ASP 27 Ca -0.03 -0.93 -0.67 0.00 -0.39 0.00 0.00 57.03 55.00 1x65 h ASP 27 Cb 1.35 -0.18 -0.13 0.00 0.68 0.00 0.00 39.33 41.05 1x65 h ASP 27 CO 0.12 1.78 -0.60 -0.13 -1.61 0.00 0.00 179.24 178.80 1x65 s ARG 28 N -2.56 3.02 -0.33 0.28 0.52 -1.24 -5.00 118.95 113.64 1x65 s ARG 28 Ca -0.18 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1x65 s ARG 28 Cb 0.05 -2.83 0.54 0.00 0.52 0.00 0.00 34.95 33.23 1x65 s ARG 28 CO 0.83 0.70 1.69 -0.25 0.02 0.00 0.00 175.30 178.28 1x65 n ASP 29 N 1.92 3.75 -4.21 0.23 9.92 -1.26 -3.40 116.55 123.49 1x65 n ASP 29 Ca -0.18 -3.19 -0.29 0.00 -0.53 0.00 0.00 54.79 50.61 1x65 n ASP 29 Cb 0.54 -0.75 -0.16 0.00 -0.64 0.00 0.00 41.12 40.10 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 -2.56 1.75 0.37 2.53 -7.23 -1.26 -5.01 120.40 108.99 1x65 s VAL 30 Ca 0.44 -0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 59.42 1x65 s VAL 30 Cb 0.37 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.71 1x65 s VAL 30 CO 0.09 0.49 1.50 0.54 -0.31 0.00 0.00 175.10 177.41 1x65 n ARG 31 N 2.92 2.66 -3.36 4.82 1.74 -1.26 -4.34 116.66 119.85 1x65 n ARG 31 Ca -0.17 0.94 -0.45 0.00 -0.77 0.00 0.00 57.85 57.39 1x65 n ARG 31 Cb 0.52 -2.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 1x65 n ARG 31 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1x65 s MET 32 N -1.90 3.77 -0.40 5.56 -2.45 -1.02 -4.83 119.30 118.04 1x65 s MET 32 Ca 0.55 -2.79 -0.41 0.00 -1.25 0.00 0.00 55.69 51.79 1x65 s MET 32 Cb -0.48 -4.43 -0.16 0.00 1.25 0.00 0.00 34.83 31.02 1x65 s MET 32 CO 0.62 -1.27 2.00 0.34 1.05 0.00 0.00 175.02 177.77 1x65 n PHE 33 N 3.39 1.59 -4.25 4.11 -0.00 -1.26 -4.18 117.46 116.86 1x65 n PHE 33 Ca 0.18 0.59 -0.18 0.00 -0.00 0.00 0.00 57.45 58.04 1x65 n PHE 33 Cb 0.43 -2.41 -0.11 0.00 -0.00 0.00 0.00 39.48 37.40 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1x65 s PHE 34 N 5.51 1.44 0.17 -5.13 -0.71 -1.25 -4.44 117.98 113.58 1x65 s PHE 34 Ca 1.10 -0.56 0.06 0.00 -1.04 0.00 0.00 56.93 56.49 1x65 s PHE 34 Cb -1.18 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 39.84 1x65 s PHE 34 CO 0.62 0.16 0.08 -1.01 -1.34 0.00 0.00 175.22 173.74 1x65 s HIS 35 N -2.22 3.02 -0.03 3.49 3.76 -1.26 -2.95 115.29 119.10 1x65 s HIS 35 Ca 0.10 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.93 1x65 s HIS 35 Cb -0.04 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1x65 s HIS 35 CO 0.03 0.52 2.41 1.19 -0.85 0.00 0.00 174.74 178.05 1x65 n PHE 36 N -0.31 0.15 0.00 1.40 3.72 -1.23 -3.31 117.46 117.87 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 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.64 3.99 0.06 4.37 7.64 -1.26 -4.68 113.62 125.39 1x65 n SER 37 Ca 0.14 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1x65 n SER 37 Cb 0.61 0.68 0.21 0.00 -1.01 0.00 0.00 64.21 64.69 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 0.26 0.00 1.43 -0.58 -1.21 -3.70 120.64 115.48 1x65 n GLU 38 Ca 0.00 0.09 0.08 0.00 -0.42 0.00 0.00 57.16 56.91 1x65 n GLU 38 Cb 0.12 -1.67 0.49 0.00 -0.57 0.00 0.00 31.44 29.80 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 -2.05 0.00 0.23 -3.67 5.41 -1.26 -0.10 119.36 117.91 1x65 n ILE 39 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.96 1x65 n ILE 39 Cb 0.43 -0.71 0.77 0.00 -0.71 0.00 0.00 39.64 39.41 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 -1.42 1.39 8.10 -1.81 -1.94 115.31 119.63 1x65 h LEU 40 Ca 0.00 0.00 0.35 0.00 0.11 0.00 0.00 57.88 58.34 1x65 h LEU 40 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 1x65 h LEU 40 CO 0.00 0.00 1.18 -0.78 -4.11 0.00 0.00 178.44 174.73 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 3.58 -1.69 -3.44 116.42 115.04 1x65 h ASP 41 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1x65 h ASP 41 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1x65 n GLY 42 N -1.75 0.57 0.00 -0.78 0.00 -0.73 -5.02 105.19 97.47 1x65 n GLY 42 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.38 1.61 3.02 -1.26 -4.79 115.26 109.46 1x65 n ASN 43 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.10 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 -0.94 3.46 0.96 3.52 0.74 -1.26 -4.96 119.66 121.18 1x65 s GLN 44 Ca 0.00 -1.93 -0.14 0.00 0.05 0.00 0.00 55.36 53.34 1x65 s GLN 44 Cb 0.00 -4.56 0.11 0.00 1.10 0.00 0.00 33.01 29.66 1x65 s GLN 44 CO 0.00 -1.52 0.07 1.28 -0.55 0.00 0.00 175.29 174.57 1x65 n LEU 45 N 5.45 -1.71 -3.64 3.68 4.32 -1.26 -5.04 117.00 118.79 1x65 n LEU 45 Ca 0.11 -0.27 -0.02 0.00 -0.02 0.00 0.00 56.01 55.81 1x65 n LEU 45 Cb 0.46 -0.74 -0.04 0.00 -1.62 0.00 0.00 43.42 41.49 1x65 n LEU 45 CO 0.46 -3.01 1.14 -2.28 -1.22 0.00 0.00 177.39 172.48 1x65 s HIS 46 N -2.08 -0.05 -0.47 -1.77 2.46 -1.26 -5.08 115.29 107.04 1x65 s HIS 46 Ca 0.35 0.09 -0.45 0.00 0.47 0.00 0.00 55.06 55.52 1x65 s HIS 46 Cb -0.05 0.49 -0.19 0.00 -0.13 0.00 0.00 32.58 32.71 1x65 s HIS 46 CO 0.37 -0.05 1.82 -0.89 -2.47 0.00 0.00 174.74 173.52 1x65 n ILE 47 N 0.54 0.04 -2.05 0.89 2.08 -1.26 -1.76 119.36 117.85 1x65 n ILE 47 Ca -0.01 -0.02 -0.05 0.00 0.56 0.00 0.00 62.75 63.24 1x65 n ILE 47 Cb 0.59 -0.63 0.02 0.00 -0.75 0.00 0.00 39.64 38.87 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 5.57 -1.12 -2.81 -1.39 0.00 -0.31 -4.97 120.51 115.48 1x65 n ALA 48 Ca 0.39 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 1x65 n ALA 48 Cb -0.02 -2.16 -0.16 0.00 0.00 0.00 0.00 19.45 17.11 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 -3.12 2.66 0.00 0.00 1.01 -0.72 -4.79 116.67 111.70 1x65 s ASP 49 Ca 0.14 -0.44 -0.30 0.00 0.71 0.00 0.00 52.55 52.66 1x65 s ASP 49 Cb -0.02 -0.73 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 1x65 s ASP 49 CO 0.23 0.20 1.07 -1.61 0.21 0.00 0.00 175.17 175.28 1x65 s GLU 50 N -0.07 4.48 0.03 8.23 8.01 -1.26 -2.35 118.70 135.77 1x65 s GLU 50 Ca -0.04 1.55 0.03 0.00 0.01 0.00 0.00 54.97 56.52 1x65 s GLU 50 Cb -0.13 -3.44 -0.02 0.00 -4.31 0.00 0.00 34.13 26.23 1x65 s GLU 50 CO 0.03 -0.18 -0.09 0.14 0.01 0.00 0.00 175.26 175.17 1x65 s VAL 51 N 1.26 0.65 -0.20 2.63 -7.23 -0.91 0.48 120.40 117.08 1x65 s VAL 51 Ca 0.54 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 1x65 s VAL 51 Cb -0.24 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1x65 s VAL 51 CO 0.27 -0.16 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.14 1x65 s GLU 52 N -1.09 3.38 0.16 4.82 2.12 -0.72 -2.92 118.70 124.45 1x65 s GLU 52 Ca -0.04 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.70 1x65 s GLU 52 Cb -0.07 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1x65 s GLU 52 CO 0.00 -0.12 -0.08 -0.59 -0.54 0.00 0.00 175.26 173.94 1x65 s PHE 53 N 1.26 1.27 -0.15 5.30 -0.12 -1.06 -2.54 117.98 121.94 1x65 s PHE 53 Ca 0.03 -0.81 -0.12 0.00 -0.05 0.00 0.00 56.93 55.98 1x65 s PHE 53 Cb -0.14 -0.67 -0.07 0.00 -0.63 0.00 0.00 43.02 41.50 1x65 s PHE 53 CO -0.02 0.03 -0.03 1.15 -0.05 0.00 0.00 175.22 176.29 1x65 h THR 54 N 2.75 0.28 -3.57 -4.49 2.02 -1.87 -1.47 112.91 106.57 1x65 h THR 54 Ca -0.37 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1x65 h THR 54 Cb 1.19 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1x65 h THR 54 CO 0.64 0.10 -0.78 0.52 0.37 0.00 0.00 175.52 176.36 1x65 n VAL 55 N -4.59 -8.53 -4.00 3.16 0.31 -1.25 -4.61 118.33 98.82 1x65 n VAL 55 Ca -0.12 2.53 -0.09 0.00 -0.01 0.00 0.00 64.34 66.65 1x65 n VAL 55 Cb 0.34 -4.05 -0.11 0.00 -0.91 0.00 0.00 33.84 29.11 1x65 n VAL 55 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x65 s VAL 56 N -1.06 0.13 -2.00 2.52 -7.23 -1.25 -4.98 120.40 106.53 1x65 s VAL 56 Ca 0.00 -1.10 0.11 0.00 -1.81 0.00 0.00 61.98 59.18 1x65 s VAL 56 Cb 0.00 -0.57 0.31 0.00 0.56 0.00 0.00 36.38 36.68 1x65 s VAL 56 CO 0.00 -0.61 1.09 -0.81 -0.31 0.00 0.00 175.10 174.47 1x65 n PRO 57 N 1.23 0.49 -1.05 4.82 -0.04 -1.26 -4.04 135.00 135.15 1x65 n PRO 57 Ca -0.22 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1x65 n PRO 57 Cb 0.56 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1x65 n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x65 n ASP 58 N -0.86 -5.69 0.05 3.54 9.92 -1.26 -2.46 116.55 119.79 1x65 n ASP 58 Ca 0.08 1.06 0.09 0.00 -0.53 0.00 0.00 54.79 55.50 1x65 n ASP 58 Cb 0.04 -3.61 0.38 0.00 -0.64 0.00 0.00 41.12 37.29 1x65 n ASP 58 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1x65 n MET 59 N -3.70 0.07 0.12 -1.24 0.00 -1.26 -2.03 117.12 109.07 1x65 n MET 59 Ca -0.07 0.30 0.12 0.00 0.00 0.00 0.00 57.70 58.05 1x65 n MET 59 Cb 0.50 -1.63 0.03 0.00 0.00 0.00 0.00 33.22 32.12 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 0.00 -1.42 3.17 3.38 -1.99 -3.47 115.31 114.97 1x65 h LEU 60 Ca 0.00 -0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.51 1x65 h LEU 60 Cb 0.30 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.81 1x65 h LEU 60 CO 0.00 0.01 -0.66 -1.20 0.09 0.00 0.00 178.44 176.67 1x65 n SER 61 N -2.70 -0.72 -2.49 -0.43 7.64 -0.86 -4.76 113.62 109.31 1x65 n SER 61 Ca 0.01 -0.90 -0.35 0.00 1.01 0.00 0.00 58.87 58.63 1x65 n SER 61 Cb 0.54 -1.14 0.06 0.00 -1.01 0.00 0.00 64.21 62.66 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 -3.20 6.25 -2.73 -0.43 0.00 -1.26 -4.90 120.51 114.24 1x65 n ALA 62 Ca -0.01 -3.73 -0.04 0.00 0.00 0.00 0.00 53.44 49.66 1x65 n ALA 62 Cb 0.38 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.14 1x65 n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x65 n GLN 63 N -0.77 -1.70 -3.63 0.00 0.00 -1.26 -5.06 117.38 104.96 1x65 n GLN 63 Ca 0.58 1.69 -0.03 0.00 -0.00 0.00 0.00 57.00 59.24 1x65 n GLN 63 Cb 0.55 -5.13 -0.04 0.00 0.00 0.00 0.00 30.24 25.62 1x65 n GLN 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1x65 s ARG 64 N -2.63 0.14 -0.09 3.69 0.52 -1.26 -5.19 118.95 114.13 1x65 s ARG 64 Ca 0.13 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 1x65 s ARG 64 Cb -0.04 0.06 0.09 0.00 0.52 0.00 0.00 34.95 35.58 1x65 s ARG 64 CO 0.66 -0.05 0.77 0.54 0.02 0.00 0.00 175.30 177.24 1x65 s ASN 65 N -1.23 -0.58 0.03 0.23 4.22 -1.26 -4.36 114.94 111.99 1x65 s ASN 65 Ca 0.08 0.68 -0.05 0.00 -2.14 0.00 0.00 52.86 51.42 1x65 s ASN 65 Cb -0.01 0.53 -0.01 0.00 1.28 0.00 0.00 41.25 43.04 1x65 s ASN 65 CO -0.06 -0.51 0.09 -1.38 -2.04 0.00 0.00 177.10 173.20 1x65 s HIS 66 N -1.07 0.19 -0.12 1.54 -3.43 -1.26 -4.88 115.29 106.26 1x65 s HIS 66 Ca -0.08 -0.46 -0.24 0.00 -0.80 0.00 0.00 55.06 53.48 1x65 s HIS 66 Cb -0.00 -0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 30.98 1x65 s HIS 66 CO 0.07 -0.34 0.73 0.00 -2.00 0.00 0.00 174.74 173.20 1x65 s ALA 67 N -2.39 3.43 0.19 -1.38 0.00 -1.26 -3.80 121.76 116.55 1x65 s ALA 67 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1x65 s ALA 67 Cb -0.02 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1x65 s ALA 67 CO -0.04 -0.36 0.11 0.96 0.00 0.00 0.00 175.76 176.44 1x65 s ILE 68 N 1.42 4.28 -0.35 0.00 -4.36 -1.26 -4.78 121.20 116.16 1x65 s ILE 68 Ca 0.36 -1.24 -0.27 0.00 -0.26 0.00 0.00 60.65 59.25 1x65 s ILE 68 Cb -0.17 -3.21 0.04 0.00 1.25 0.00 0.00 42.46 40.37 1x65 s ILE 68 CO 0.15 -0.16 0.48 0.54 0.24 0.00 0.00 174.94 176.19 1x65 n ARG 69 N -0.47 -1.38 -2.60 0.37 1.74 -1.25 -4.14 116.66 108.92 1x65 n ARG 69 Ca -0.08 0.99 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 1x65 n ARG 69 Cb 0.55 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x65 s ILE 70 N -1.21 4.55 -0.37 0.55 1.01 0.85 -4.73 121.20 121.86 1x65 s ILE 70 Ca 0.26 1.85 -0.00 0.00 0.00 0.00 0.00 60.65 62.76 1x65 s ILE 70 Cb -0.03 -4.27 0.10 0.00 0.01 0.00 0.00 42.46 38.27 1x65 s ILE 70 CO 0.64 -0.25 0.13 -0.75 0.00 0.00 0.00 174.94 174.71 1x65 s LYS 71 N 3.39 1.87 -0.09 2.79 2.20 -1.05 -4.03 119.74 124.82 1x65 s LYS 71 Ca 0.47 -1.78 -0.35 0.00 -0.36 0.00 0.00 55.97 53.95 1x65 s LYS 71 Cb -0.16 -3.41 -0.13 0.00 -1.51 0.00 0.00 37.83 32.63 1x65 s LYS 71 CO 0.10 -0.98 1.82 1.17 -0.36 0.00 0.00 175.35 177.11 1x65 n LYS 72 N 4.48 2.02 -2.77 4.03 0.00 -1.26 -1.75 118.16 122.90 1x65 n LYS 72 Ca -0.01 0.74 -0.35 0.00 0.00 0.00 0.00 58.31 58.69 1x65 n LYS 72 Cb 0.42 -2.55 -0.06 0.00 0.00 0.00 0.00 35.03 32.83 1x65 n LYS 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1x65 s LEU 73 N 3.63 4.12 0.83 3.14 1.43 0.18 -4.90 118.68 127.11 1x65 s LEU 73 Ca 0.92 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1x65 s LEU 73 Cb -0.75 -4.29 0.09 0.00 0.03 0.00 0.00 46.19 41.27 1x65 s LEU 73 CO 0.52 -0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 1x65 s PRO 74 N -2.66 1.77 -0.47 1.29 0.04 -1.26 -4.54 135.00 129.16 1x65 s PRO 74 Ca 0.57 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 1x65 s PRO 74 Cb -0.14 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x65 s PRO 74 CO 0.19 -1.94 1.88 0.21 0.04 0.00 0.00 177.00 177.38 1x65 s LYS 75 N -4.92 2.90 0.00 4.56 2.20 -1.26 -3.85 119.74 119.37 1x65 s LYS 75 Ca 0.62 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1x65 s LYS 75 Cb -0.18 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1x65 s LYS 75 CO 0.56 -2.39 0.00 0.41 -0.36 0.00 0.00 175.35 173.58 1x65 n GLY 76 N 5.60 0.53 2.00 5.54 0.00 -1.26 -5.09 105.19 112.51 1x65 n GLY 76 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.00 -3.46 2.61 -1.04 -1.25 -5.12 114.28 106.02 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 0.00 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.20 1x65 n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x65 s VAL 78 N -1.57 5.09 -0.21 12.58 0.11 -1.26 -5.11 120.40 130.04 1x65 s VAL 78 Ca 0.00 -0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.69 1x65 s VAL 78 Cb 0.00 -3.74 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1x65 s VAL 78 CO 0.00 -0.28 0.66 -0.94 -3.33 0.00 0.00 175.10 171.20 1x65 s SER 79 N -3.21 -0.67 -0.28 3.54 1.04 -1.26 -5.15 113.70 107.71 1x65 s SER 79 Ca 0.42 1.20 -0.26 0.00 0.48 0.00 0.00 55.95 57.79 1x65 s SER 79 Cb -0.11 1.19 0.17 0.00 0.10 0.00 0.00 66.02 67.38 1x65 s SER 79 CO 0.30 -0.30 1.32 0.72 0.98 0.00 0.00 173.24 176.25 1x65 s PHE 80 N 0.05 -0.15 0.46 5.02 -0.71 -1.26 -5.10 117.98 116.28 1x65 s PHE 80 Ca -0.02 0.35 -0.20 0.00 -1.04 0.00 0.00 56.93 56.01 1x65 s PHE 80 Cb -0.04 0.46 -0.13 0.00 -1.21 0.00 0.00 43.02 42.10 1x65 s PHE 80 CO 0.03 -0.09 0.27 0.72 -1.34 0.00 0.00 175.22 174.80 1x65 n HIS 81 N 1.41 -1.51 -3.29 3.49 8.25 -1.26 -4.99 115.22 117.32 1x65 n HIS 81 Ca -0.09 0.55 -0.05 0.00 -0.26 0.00 0.00 57.72 57.88 1x65 n HIS 81 Cb 0.57 -1.86 -0.06 0.00 1.12 0.00 0.00 29.99 29.77 1x65 n HIS 81 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x65 s SER 82 N -1.01 -0.22 -0.18 0.41 0.01 -1.26 -5.14 113.70 106.31 1x65 s SER 82 Ca 0.62 0.29 -0.06 0.00 1.31 0.00 0.00 55.95 58.11 1x65 s SER 82 Cb -0.57 1.41 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 1x65 s SER 82 CO 0.60 -0.30 0.01 -2.28 0.41 0.00 0.00 173.24 171.69 1x65 s HIS 83 N 2.63 3.12 0.23 2.43 2.46 -1.26 -5.10 115.29 119.80 1x65 s HIS 83 Ca 0.14 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.52 1x65 s HIS 83 Cb -0.15 -2.04 -0.01 0.00 -0.13 0.00 0.00 32.58 30.26 1x65 s HIS 83 CO -0.20 0.00 0.06 0.43 -2.47 0.00 0.00 174.74 172.56 1x65 n SER 84 N 3.69 1.52 0.00 9.88 7.64 -1.26 -5.14 113.62 129.94 1x65 n SER 84 Ca -0.17 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1x65 n SER 84 Cb 0.52 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 85 N 1.00 1.17 3.77 0.23 0.00 -1.26 -5.13 105.19 104.97 1x65 n GLY 85 Ca -0.05 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 0.50 2.95 0.43 1.61 0.04 -1.26 -5.07 135.00 134.21 1x65 s PRO 86 Ca 0.00 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1x65 s PRO 86 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1x65 s PRO 86 CO 0.00 -1.14 0.33 0.45 0.04 0.00 0.00 177.00 176.68 1x65 s SER 87 N -2.37 4.84 -0.07 6.66 0.15 -1.26 -5.13 113.70 116.51 1x65 s SER 87 Ca 0.68 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1x65 s SER 87 Cb -0.21 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.69 1x65 s SER 87 CO 0.38 -0.68 -0.02 -0.44 1.20 0.00 0.00 173.24 173.68 1x65 s SER 88 N -4.09 1.53 0.00 5.45 0.01 -1.26 -5.33 113.70 110.01 1x65 s SER 88 Ca 0.45 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1x65 s SER 88 Cb -0.01 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1x65 s SER 88 CO 0.26 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.36