#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 n SER 2 N 0.00 0.84 -2.97 1.61 2.88 -1.26 -5.11 113.62 109.61 1x65 n SER 2 Ca 0.00 0.15 -0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1x65 n SER 2 Cb 0.00 -0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1x65 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x65 n SER 3 N -3.42 -7.16 0.00 -3.46 7.64 -1.26 -4.66 113.62 101.31 1x65 n SER 3 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1x65 n SER 3 Cb 0.07 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1x65 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 4 N 1.06 1.13 2.79 0.23 0.00 -1.26 -4.60 105.19 104.54 1x65 n GLY 4 Ca -0.01 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x65 s SER 5 N -4.00 3.01 -0.20 1.61 0.15 -1.26 -5.11 113.70 107.90 1x65 s SER 5 Ca 0.00 -0.83 0.01 0.00 0.70 0.00 0.00 55.95 55.83 1x65 s SER 5 Cb 0.00 -0.73 0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1x65 s SER 5 CO 0.00 -0.27 -0.10 -0.44 1.20 0.00 0.00 173.24 173.62 1x65 s SER 6 N 1.75 3.43 -0.40 5.45 0.01 -1.26 -5.03 113.70 117.65 1x65 s SER 6 Ca -0.01 -0.91 0.09 0.00 1.31 0.00 0.00 55.95 56.43 1x65 s SER 6 Cb -0.17 -1.24 0.28 0.00 0.21 0.00 0.00 66.02 65.10 1x65 s SER 6 CO -0.07 -0.15 0.61 0.61 0.41 0.00 0.00 173.24 174.65 1x65 n GLY 7 N 4.68 3.30 3.71 3.44 0.00 -1.26 -5.10 105.19 113.95 1x65 n GLY 7 Ca -0.15 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.72 4.37 0.35 1.61 0.52 -1.26 -4.67 118.95 118.14 1x65 s ARG 8 Ca 0.37 0.67 0.09 0.00 -0.52 0.00 0.00 55.73 56.34 1x65 s ARG 8 Cb 0.23 -3.46 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 1x65 s ARG 8 CO -0.10 0.06 0.01 -1.21 0.02 0.00 0.00 175.30 174.09 1x65 s GLU 9 N 0.89 2.06 0.12 3.54 8.01 -0.90 -4.94 118.70 127.47 1x65 s GLU 9 Ca 0.31 -1.78 0.07 0.00 0.01 0.00 0.00 54.97 53.58 1x65 s GLU 9 Cb -0.16 -1.90 -0.04 0.00 -4.31 0.00 0.00 34.13 27.72 1x65 s GLU 9 CO 0.14 0.11 -0.16 -1.64 0.01 0.00 0.00 175.26 173.72 1x65 s MET 10 N -3.72 1.04 0.27 1.61 -1.94 -1.26 -2.65 119.30 112.66 1x65 s MET 10 Ca 0.35 -1.21 -0.21 0.00 -1.71 0.00 0.00 55.69 52.92 1x65 s MET 10 Cb 0.01 -1.03 0.04 0.00 2.01 0.00 0.00 34.83 35.86 1x65 s MET 10 CO 0.19 0.21 0.81 0.20 -0.01 0.00 0.00 175.02 176.43 1x65 s GLY 11 N -2.28 0.01 -0.08 -0.03 0.00 -1.21 -3.35 107.32 100.37 1x65 s GLY 11 Ca 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1x65 s GLY 11 CO 0.04 0.07 -0.09 -1.34 0.00 0.00 0.00 173.10 171.78 1x65 s VAL 12 N -3.26 3.52 0.38 1.40 -7.23 -0.74 -2.58 120.40 111.89 1x65 s VAL 12 Ca 0.13 -0.54 -0.27 0.00 -1.81 0.00 0.00 61.98 59.50 1x65 s VAL 12 Cb -0.05 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1x65 s VAL 12 CO 0.07 0.58 1.25 -0.63 -0.31 0.00 0.00 175.10 176.06 1x65 s ILE 13 N -0.60 2.86 0.00 -0.62 -1.09 -1.07 -0.86 121.20 119.82 1x65 s ILE 13 Ca 0.09 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1x65 s ILE 13 Cb -0.12 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1x65 s ILE 13 CO 0.02 0.12 0.00 0.00 -1.23 0.00 0.00 174.94 173.85 1x65 n ALA 14 N 0.33 1.70 -3.06 9.38 0.00 -1.06 -0.62 120.51 127.18 1x65 n ALA 14 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1x65 n ALA 14 Cb 0.44 0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.70 1.00 -0.34 0.00 0.00 -1.25 -4.92 121.76 114.54 1x65 s ALA 15 Ca 0.00 -0.39 0.16 0.00 0.00 0.00 0.00 51.96 51.73 1x65 s ALA 15 Cb 0.00 -0.37 0.43 0.00 0.00 0.00 0.00 23.12 23.18 1x65 s ALA 15 CO 0.00 0.16 0.97 -1.33 0.00 0.00 0.00 175.76 175.56 1x65 n MET 16 N 3.32 1.12 0.00 0.00 0.00 -1.26 -3.42 117.12 116.88 1x65 n MET 16 Ca -0.19 -3.06 0.00 0.00 0.00 0.00 0.00 57.70 54.45 1x65 n MET 16 Cb 0.54 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.60 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 -0.06 0.00 -2.71 0.03 5.12 -1.18 -4.72 116.66 113.13 1x65 n ARG 17 Ca 0.10 0.16 -0.07 0.00 -1.93 0.00 0.00 57.85 56.11 1x65 n ARG 17 Cb 0.80 -0.74 0.11 0.00 -1.16 0.00 0.00 32.46 31.48 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1x65 n ASP 18 N -0.40 -1.99 0.00 0.55 5.68 -1.26 -4.97 116.55 114.16 1x65 n ASP 18 Ca 0.00 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.61 1x65 n ASP 18 Cb 0.00 1.18 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x65 n GLY 19 N -0.43 4.58 3.46 6.12 0.00 -1.26 -5.05 105.19 112.62 1x65 n GLY 19 Ca -0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 2.12 0.00 1.61 -0.71 -1.26 -0.58 117.98 119.15 1x65 s PHE 20 Ca 0.00 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 1x65 s PHE 20 Cb 0.00 -1.16 0.00 0.00 -1.21 0.00 0.00 43.02 40.65 1x65 s PHE 20 CO 0.00 0.44 0.00 0.41 -1.34 0.00 0.00 175.22 174.73 1x65 n GLY 21 N -0.64 0.65 3.75 1.99 0.00 -1.25 -3.13 105.19 106.58 1x65 n GLY 21 Ca -0.05 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 2.21 -0.07 -0.32 1.61 0.08 -1.22 -4.34 117.98 115.93 1x65 s PHE 22 Ca 0.00 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1x65 s PHE 22 Cb 0.00 0.56 0.14 0.00 -0.57 0.00 0.00 43.02 43.15 1x65 s PHE 22 CO 0.00 -1.14 0.33 0.42 -0.10 0.00 0.00 175.22 174.73 1x65 s ILE 23 N -3.93 -0.39 -0.30 0.64 1.01 -1.26 -2.55 121.20 114.42 1x65 s ILE 23 Ca 0.13 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 1x65 s ILE 23 Cb -0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1x65 s ILE 23 CO 0.06 -0.50 1.98 -0.75 0.00 0.00 0.00 174.94 175.74 1x65 s LYS 24 N 2.04 3.19 0.61 2.79 2.20 -0.04 -1.89 119.74 128.64 1x65 s LYS 24 Ca 0.12 1.64 -0.17 0.00 -0.36 0.00 0.00 55.97 57.20 1x65 s LYS 24 Cb -0.14 -4.28 -0.02 0.00 -1.51 0.00 0.00 37.83 31.87 1x65 s LYS 24 CO -0.22 -2.03 1.11 0.00 -0.36 0.00 0.00 175.35 173.85 1x65 h VAL 26 N 0.49 1.23 0.15 0.00 -1.51 -1.92 -3.37 116.25 111.31 1x65 h VAL 26 Ca -0.48 -3.02 -0.27 0.00 -1.23 0.00 0.00 66.70 61.70 1x65 h VAL 26 Cb 1.25 2.61 0.01 0.00 -2.13 0.00 0.00 31.29 33.03 1x65 h VAL 26 CO 0.55 0.70 -1.31 -0.78 -1.23 0.00 0.00 177.57 175.51 1x65 h ASP 27 N 0.00 0.49 -2.15 4.19 3.58 -1.93 -3.47 116.42 117.13 1x65 h ASP 27 Ca -0.16 -0.90 -0.45 0.00 0.42 0.00 0.00 57.03 55.94 1x65 h ASP 27 Cb 1.91 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.81 1x65 h ASP 27 CO 0.10 1.60 -0.26 -0.13 -2.88 0.00 0.00 179.24 177.66 1x65 s ARG 28 N -2.49 3.13 -0.51 0.28 1.81 -1.26 -5.02 118.95 114.88 1x65 s ARG 28 Ca -0.16 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.05 1x65 s ARG 28 Cb 0.04 -2.74 0.47 0.00 -0.45 0.00 0.00 34.95 32.27 1x65 s ARG 28 CO 0.82 -0.02 1.73 -0.25 -0.68 0.00 0.00 175.30 176.90 1x65 n ASP 29 N -1.77 6.14 -3.68 0.23 9.92 -1.26 -4.35 116.55 121.78 1x65 n ASP 29 Ca -0.00 -3.77 -0.19 0.00 -0.53 0.00 0.00 54.79 50.31 1x65 n ASP 29 Cb 0.58 -0.75 -0.09 0.00 -0.64 0.00 0.00 41.12 40.22 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 -4.51 0.10 0.06 2.53 -7.23 -1.26 -5.05 120.40 105.04 1x65 s VAL 30 Ca 0.59 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1x65 s VAL 30 Cb 0.47 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1x65 s VAL 30 CO 0.01 0.00 0.17 -0.13 -0.31 0.00 0.00 175.10 174.84 1x65 s ARG 31 N -3.66 3.28 -0.76 4.82 0.52 -1.26 -2.81 118.95 119.09 1x65 s ARG 31 Ca 0.38 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1x65 s ARG 31 Cb 0.04 -2.96 0.24 0.00 0.52 0.00 0.00 34.95 32.78 1x65 s ARG 31 CO 0.22 0.60 0.81 -0.12 0.02 0.00 0.00 175.30 176.83 1x65 n MET 32 N 0.41 2.68 -1.08 3.54 0.00 -0.79 -4.84 117.12 117.04 1x65 n MET 32 Ca -0.07 -4.59 -0.34 0.00 -0.00 0.00 0.00 57.70 52.70 1x65 n MET 32 Cb 0.51 -2.33 0.01 0.00 0.00 0.00 0.00 33.22 31.41 1x65 n MET 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x65 n PHE 33 N 1.38 -2.26 -3.64 1.12 -0.00 -1.26 -4.01 117.46 108.78 1x65 n PHE 33 Ca 0.26 0.43 -0.10 0.00 -0.00 0.00 0.00 57.45 58.04 1x65 n PHE 33 Cb 0.38 -1.46 -0.05 0.00 -0.00 0.00 0.00 39.48 38.35 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 -1.63 -0.19 0.17 -5.13 -0.71 -1.26 -4.39 117.98 104.84 1x65 s PHE 34 Ca 0.49 -0.11 0.06 0.00 -1.04 0.00 0.00 56.93 56.33 1x65 s PHE 34 Cb -0.46 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1x65 s PHE 34 CO 0.56 -0.69 0.12 -1.01 -1.34 0.00 0.00 175.22 172.85 1x65 s HIS 35 N -3.73 3.09 -0.09 3.49 3.76 -1.26 -3.75 115.29 116.81 1x65 s HIS 35 Ca 0.02 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1x65 s HIS 35 Cb 0.02 -1.48 0.07 0.00 1.11 0.00 0.00 32.58 32.30 1x65 s HIS 35 CO -0.11 0.52 1.77 1.19 -0.85 0.00 0.00 174.74 177.26 1x65 n PHE 36 N -0.39 0.45 0.00 1.40 3.01 0.25 -3.30 117.46 118.88 1x65 n PHE 36 Ca -0.08 -1.13 0.00 0.00 1.01 0.00 0.00 57.45 57.25 1x65 n PHE 36 Cb 0.55 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 0.92 3.67 0.02 4.37 7.64 -1.26 -4.64 113.62 124.34 1x65 n SER 37 Ca 0.09 -0.10 0.11 0.00 1.01 0.00 0.00 58.87 59.98 1x65 n SER 37 Cb 0.56 0.93 0.09 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 -1.30 0.17 0.00 1.43 4.71 -1.21 -3.94 120.64 120.50 1x65 n GLU 38 Ca 0.00 0.01 0.08 0.00 -0.01 0.00 0.00 57.16 57.24 1x65 n GLU 38 Cb 0.00 -1.56 0.48 0.00 -1.01 0.00 0.00 31.44 29.35 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 -1.78 0.00 0.30 -3.67 5.41 -1.26 -0.52 119.36 117.84 1x65 n ILE 39 Ca 0.03 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.94 1x65 n ILE 39 Cb 0.39 -0.71 0.78 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.71 1.39 8.10 -1.82 -1.66 115.31 119.62 1x65 h LEU 40 Ca 0.00 0.00 0.33 0.00 0.11 0.00 0.00 57.88 58.32 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 1.01 -0.78 -4.11 0.00 0.00 178.44 174.56 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 1.82 -1.68 -3.44 116.42 113.29 1x65 h ASP 41 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1x65 h ASP 41 Cb 0.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.77 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 -1.73 0.56 0.00 -0.78 0.00 -0.62 -5.04 105.19 97.58 1x65 n GLY 42 Ca 0.25 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.70 1.61 3.02 -1.26 -4.86 115.26 109.08 1x65 n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 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 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N 0.00 4.42 0.69 3.52 -0.21 -1.26 -4.89 119.66 121.93 1x65 s GLN 44 Ca 0.00 1.64 -0.10 0.00 0.02 0.00 0.00 55.36 56.93 1x65 s GLN 44 Cb 0.00 -3.46 0.02 0.00 1.00 0.00 0.00 33.01 30.57 1x65 s GLN 44 CO 0.00 -0.29 1.05 -0.51 -2.12 0.00 0.00 175.29 173.42 1x65 s LEU 45 N 1.55 2.94 -0.18 2.90 2.01 -1.26 -5.06 118.68 121.58 1x65 s LEU 45 Ca 0.56 0.96 -0.29 0.00 0.01 0.00 0.00 54.13 55.37 1x65 s LEU 45 Cb -0.25 -3.73 0.12 0.00 0.01 0.00 0.00 46.19 42.34 1x65 s LEU 45 CO 0.25 -1.34 0.96 -2.28 1.01 0.00 0.00 176.35 174.96 1x65 s HIS 46 N -3.29 -0.44 -0.47 0.29 2.46 -1.26 -5.08 115.29 107.50 1x65 s HIS 46 Ca 0.58 0.84 -0.45 0.00 0.47 0.00 0.00 55.06 56.50 1x65 s HIS 46 Cb -0.11 0.42 -0.19 0.00 -0.13 0.00 0.00 32.58 32.57 1x65 s HIS 46 CO 0.49 -0.35 1.81 -0.89 -2.47 0.00 0.00 174.74 173.34 1x65 n ILE 47 N 1.15 0.04 -1.97 0.89 2.08 -1.26 -1.42 119.36 118.87 1x65 n ILE 47 Ca -0.12 -0.02 -0.00 0.00 0.56 0.00 0.00 62.75 63.17 1x65 n ILE 47 Cb 0.57 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 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 5.49 -0.12 -3.12 -1.39 0.00 0.20 -4.93 120.51 116.64 1x65 n ALA 48 Ca 0.39 -0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1x65 n ALA 48 Cb -0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.03 3.55 0.12 0.00 1.01 -0.51 -4.77 116.67 113.04 1x65 s ASP 49 Ca 0.00 -0.44 -0.30 0.00 0.71 0.00 0.00 52.55 52.52 1x65 s ASP 49 Cb -0.00 -1.47 -0.06 0.00 1.01 0.00 0.00 42.92 42.40 1x65 s ASP 49 CO 0.02 0.17 0.95 -1.61 0.21 0.00 0.00 175.17 174.91 1x65 s GLU 50 N 0.30 4.71 0.19 8.23 2.02 -1.25 -2.61 118.70 130.29 1x65 s GLU 50 Ca -0.14 1.44 -0.01 0.00 0.02 0.00 0.00 54.97 56.28 1x65 s GLU 50 Cb -0.17 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1x65 s GLU 50 CO 0.07 0.26 0.12 0.14 0.02 0.00 0.00 175.26 175.87 1x65 s VAL 51 N -0.16 0.03 -0.06 2.63 -7.23 -1.07 -0.91 120.40 113.64 1x65 s VAL 51 Ca 0.46 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1x65 s VAL 51 Cb -0.24 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1x65 s VAL 51 CO 0.30 -0.06 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.27 1x65 s GLU 52 N -4.14 1.08 0.03 4.82 2.12 0.56 -3.36 118.70 119.81 1x65 s GLU 52 Ca 0.37 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.54 1x65 s GLU 52 Cb 0.07 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 33.36 1x65 s GLU 52 CO 0.11 -0.11 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.08 1x65 s PHE 53 N 1.11 0.42 -0.07 5.30 -0.12 -1.08 -2.96 117.98 120.58 1x65 s PHE 53 Ca -0.08 -0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 56.22 1x65 s PHE 53 Cb -0.14 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 1x65 s PHE 53 CO -0.01 -0.15 0.23 1.15 -0.05 0.00 0.00 175.22 176.39 1x65 h THR 54 N 4.56 0.00 -3.46 -4.49 2.02 -1.84 -2.41 112.91 107.29 1x65 h THR 54 Ca -0.33 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1x65 h THR 54 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1x65 h THR 54 CO 0.41 0.00 -0.84 0.52 0.37 0.00 0.00 175.52 175.99 1x65 n VAL 55 N -4.66 -5.04 -3.73 3.16 0.31 -1.26 -4.41 118.33 102.69 1x65 n VAL 55 Ca -0.02 2.24 -0.13 0.00 -0.01 0.00 0.00 64.34 66.42 1x65 n VAL 55 Cb 0.08 -3.08 -0.09 0.00 -0.91 0.00 0.00 33.84 29.83 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 -2.95 0.02 0.44 2.52 -7.23 -1.26 -4.91 120.40 107.03 1x65 s VAL 56 Ca 0.00 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 1x65 s VAL 56 Cb 0.00 -0.61 -0.08 0.00 0.56 0.00 0.00 36.38 36.26 1x65 s VAL 56 CO 0.00 -0.11 1.17 -2.16 -0.31 0.00 0.00 175.10 173.70 1x65 s PRO 57 N -0.50 3.86 0.42 4.82 0.04 -1.26 -4.40 135.00 137.98 1x65 s PRO 57 Ca -0.06 1.82 0.05 0.00 0.04 0.00 0.00 61.00 62.84 1x65 s PRO 57 Cb -0.04 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 32.07 1x65 s PRO 57 CO 0.03 -0.48 0.58 -0.25 0.04 0.00 0.00 177.00 176.92 1x65 n ASP 58 N -0.28 1.27 0.00 6.66 8.00 -1.26 -5.02 116.55 125.92 1x65 n ASP 58 Ca 0.06 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.60 1x65 n ASP 58 Cb 0.47 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1x65 n ASP 58 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x65 n MET 59 N -1.97 0.00 0.02 -1.24 2.81 -1.26 -5.00 117.12 110.47 1x65 n MET 59 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1x65 n MET 59 Cb 0.40 -0.58 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1x65 n LEU 60 N -2.35 0.10 -3.42 4.03 4.32 -1.26 -5.05 117.00 113.38 1x65 n LEU 60 Ca 0.00 0.05 -0.49 0.00 -0.02 0.00 0.00 56.01 55.55 1x65 n LEU 60 Cb 0.28 -0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 1x65 n LEU 60 CO 0.00 -0.30 1.10 -0.24 -1.22 0.00 0.00 177.39 176.72 1x65 n SER 61 N -2.92 0.74 -0.28 -1.43 2.88 -1.26 -4.75 113.62 106.60 1x65 n SER 61 Ca 0.00 0.71 -0.07 0.00 -1.33 0.00 0.00 58.87 58.17 1x65 n SER 61 Cb 0.25 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x65 n ALA 62 N 4.38 -0.43 -0.94 -1.46 0.00 -1.26 -4.48 120.51 116.32 1x65 n ALA 62 Ca 0.33 0.58 -0.36 0.00 0.00 0.00 0.00 53.44 53.99 1x65 n ALA 62 Cb -0.04 -0.08 0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.80 -0.16 0.00 0.00 3.00 -1.26 -5.02 117.38 109.14 1x65 n GLN 63 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1x65 n GLN 63 Cb 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.20 1x65 n GLN 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1x65 n ARG 64 N 1.35 2.93 -1.48 -1.09 3.00 -1.26 -4.83 116.66 115.28 1x65 n ARG 64 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1x65 n ARG 64 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.94 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 0.00 0.99 -4.56 6.15 6.94 -1.26 -4.86 115.26 118.65 1x65 n ASN 65 Ca 0.00 0.09 -0.31 0.00 -0.02 0.00 0.00 54.58 54.34 1x65 n ASN 65 Cb 0.00 -1.11 -0.11 0.00 -2.36 0.00 0.00 39.78 36.21 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1x65 s HIS 66 N 9.30 2.75 -0.17 -2.53 -3.43 -1.26 -4.91 115.29 115.04 1x65 s HIS 66 Ca 1.23 -0.14 -0.22 0.00 -0.80 0.00 0.00 55.06 55.13 1x65 s HIS 66 Cb -0.99 -1.49 -0.02 0.00 -1.43 0.00 0.00 32.58 28.65 1x65 s HIS 66 CO 0.45 0.38 0.67 0.00 -2.00 0.00 0.00 174.74 174.25 1x65 s ALA 67 N -1.10 3.51 0.28 -1.38 0.00 -1.26 -4.11 121.76 117.71 1x65 s ALA 67 Ca 0.19 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.08 1x65 s ALA 67 Cb -0.11 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1x65 s ALA 67 CO 0.10 -0.50 0.11 0.96 0.00 0.00 0.00 175.76 176.43 1x65 s ILE 68 N 1.77 3.62 -0.40 0.00 -4.36 -1.26 -4.79 121.20 115.79 1x65 s ILE 68 Ca 0.32 -1.69 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 1x65 s ILE 68 Cb -0.16 -3.05 0.03 0.00 1.25 0.00 0.00 42.46 40.53 1x65 s ILE 68 CO 0.12 -0.31 0.47 0.54 0.24 0.00 0.00 174.94 176.00 1x65 n ARG 69 N -1.07 -1.32 -2.58 0.37 5.12 -1.26 -4.24 116.66 111.69 1x65 n ARG 69 Ca -0.06 0.90 -0.42 0.00 -1.93 0.00 0.00 57.85 56.34 1x65 n ARG 69 Cb 0.59 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.48 4.52 -0.09 0.55 1.01 0.32 -4.68 121.20 121.35 1x65 s ILE 70 Ca 0.21 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1x65 s ILE 70 Cb -0.02 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1x65 s ILE 70 CO 0.64 0.03 -0.07 -0.75 0.00 0.00 0.00 174.94 174.79 1x65 s LYS 71 N 1.90 1.30 0.17 2.79 2.20 -1.16 -3.96 119.74 122.98 1x65 s LYS 71 Ca 0.53 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 1x65 s LYS 71 Cb -0.22 -1.35 -0.08 0.00 -1.51 0.00 0.00 37.83 34.67 1x65 s LYS 71 CO 0.22 -0.20 1.30 0.21 -0.36 0.00 0.00 175.35 176.52 1x65 s LYS 72 N 1.48 4.39 0.15 4.03 2.20 -1.26 -0.32 119.74 130.41 1x65 s LYS 72 Ca -0.00 2.01 -0.06 0.00 -0.36 0.00 0.00 55.97 57.56 1x65 s LYS 72 Cb -0.13 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 1x65 s LYS 72 CO -0.05 -0.27 0.41 -0.51 -0.36 0.00 0.00 175.35 174.58 1x65 s LEU 73 N 0.18 4.26 0.64 5.43 1.43 -0.09 -4.90 118.68 125.63 1x65 s LEU 73 Ca 0.58 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 1x65 s LEU 73 Cb -0.36 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1x65 s LEU 73 CO 0.36 0.05 1.11 -2.16 0.23 0.00 0.00 176.35 175.94 1x65 s PRO 74 N -2.57 2.91 -0.22 1.29 0.04 -1.26 -4.68 135.00 130.51 1x65 s PRO 74 Ca 0.41 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1x65 s PRO 74 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1x65 s PRO 74 CO 0.23 -1.17 1.99 0.21 0.04 0.00 0.00 177.00 178.30 1x65 s LYS 75 N -3.94 3.39 0.00 4.56 2.20 -1.26 -3.02 119.74 121.68 1x65 s LYS 75 Ca 0.68 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1x65 s LYS 75 Cb -0.21 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1x65 s LYS 75 CO 0.39 -1.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 1x65 n GLY 76 N 5.38 4.18 0.16 5.54 0.00 -1.26 -4.99 105.19 114.20 1x65 n GLY 76 Ca 0.25 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.74 -2.76 2.61 2.02 -1.92 -3.43 112.91 110.17 1x65 h THR 77 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.60 1x65 h THR 77 Cb 0.00 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1x65 h THR 77 CO 0.00 0.00 -0.49 -0.69 0.37 0.00 0.00 175.52 174.71 1x65 s VAL 78 N -6.14 5.30 -0.30 3.16 1.01 -1.26 -5.10 120.40 117.06 1x65 s VAL 78 Ca -0.14 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1x65 s VAL 78 Cb 0.06 -3.65 0.20 0.00 0.00 0.00 0.00 36.38 33.00 1x65 s VAL 78 CO 0.65 0.03 1.26 -0.55 0.00 0.00 0.00 175.10 176.49 1x65 s SER 79 N -2.84 -0.08 -0.28 3.32 0.15 -1.26 -5.01 113.70 107.70 1x65 s SER 79 Ca 0.34 0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.95 1x65 s SER 79 Cb -0.12 1.06 0.10 0.00 -1.71 0.00 0.00 66.02 65.35 1x65 s SER 79 CO 0.28 -0.02 0.78 0.72 1.20 0.00 0.00 173.24 176.20 1x65 s PHE 80 N 1.42 -0.90 -0.03 3.44 -0.71 -1.26 -5.09 117.98 114.85 1x65 s PHE 80 Ca -0.05 1.82 -0.03 0.00 -1.04 0.00 0.00 56.93 57.63 1x65 s PHE 80 Cb -0.02 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1x65 s PHE 80 CO -0.12 -0.45 0.06 1.58 -1.34 0.00 0.00 175.22 174.95 1x65 n HIS 81 N 4.06 -3.52 -1.71 3.49 -0.00 -1.26 -4.76 115.22 111.51 1x65 n HIS 81 Ca -0.19 2.08 -0.42 0.00 -0.00 0.00 0.00 57.72 59.19 1x65 n HIS 81 Cb 0.58 -3.13 -0.03 0.00 -0.00 0.00 0.00 29.99 27.42 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 -0.46 6.46 -0.01 0.26 0.01 -1.26 -4.96 113.70 113.75 1x65 s SER 82 Ca -0.06 2.61 -0.22 0.00 1.31 0.00 0.00 55.95 59.59 1x65 s SER 82 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1x65 s SER 82 CO 0.17 -1.05 0.66 -1.00 0.41 0.00 0.00 173.24 172.43 1x65 s HIS 83 N 4.46 3.67 -0.28 2.43 3.76 -1.26 -5.05 115.29 123.01 1x65 s HIS 83 Ca 0.87 1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 56.90 1x65 s HIS 83 Cb -0.41 -2.70 0.09 0.00 1.11 0.00 0.00 32.58 30.66 1x65 s HIS 83 CO 0.40 0.27 0.67 -1.12 -0.85 0.00 0.00 174.74 174.11 1x65 s SER 84 N 0.09 -0.97 0.00 1.40 0.01 -1.26 -5.09 113.70 107.88 1x65 s SER 84 Ca 0.34 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.11 1x65 s SER 84 Cb -0.19 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.62 1x65 s SER 84 CO 0.19 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1x65 n GLY 85 N 4.58 0.08 3.62 3.44 0.00 -1.26 -5.11 105.19 110.54 1x65 n GLY 85 Ca -0.18 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.67 0.00 1.61 0.04 -1.26 -4.77 135.00 134.29 1x65 s PRO 86 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1x65 s PRO 86 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1x65 s PRO 86 CO 0.00 -1.44 0.00 0.45 0.04 0.00 0.00 177.00 176.05 1x65 n SER 87 N 8.89 1.04 -4.04 6.66 2.88 -1.26 -5.12 113.62 122.66 1x65 n SER 87 Ca 0.19 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1x65 n SER 87 Cb 0.46 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1x65 n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x65 s SER 88 N -4.32 0.19 0.00 -3.46 0.01 -1.26 -5.37 113.70 99.49 1x65 s SER 88 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1x65 s SER 88 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x65 s SER 88 CO 0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47