#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htl s PRO 2 N 0.00 1.52 0.00 0.00 0.02 -1.26 -5.07 135.00 130.22 1htl s PRO 2 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 61.00 60.86 1htl s PRO 2 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1htl s PRO 2 CO 0.00 -1.83 0.00 1.04 -0.33 0.00 0.00 177.00 175.88 1htl n GLN 3 N -3.40 3.92 -4.24 5.54 6.02 -1.26 -5.03 117.38 118.92 1htl n GLN 3 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.96 1htl n GLN 3 Cb 0.60 -0.71 -0.10 0.00 1.02 0.00 0.00 30.24 31.05 1htl n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1htl s THR 4 N -1.42 0.98 0.35 5.09 -4.23 -1.26 -5.04 115.64 110.11 1htl s THR 4 Ca 0.00 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1htl s THR 4 Cb 0.00 -1.90 0.14 0.00 1.34 0.00 0.00 72.50 72.08 1htl s THR 4 CO 0.00 -0.69 1.86 -0.29 -0.54 0.00 0.00 174.62 174.96 1htl h ILE 5 N 2.78 1.20 -0.28 2.99 2.10 -1.97 -1.71 117.51 122.62 1htl h ILE 5 Ca -0.36 -0.90 -0.12 0.00 1.08 0.00 0.00 64.86 64.56 1htl h ILE 5 Cb 1.19 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 1htl h ILE 5 CO 0.64 0.29 -0.32 0.74 -1.08 0.00 0.00 178.15 178.41 1htl h THR 6 N 0.32 1.28 -0.04 2.19 2.02 -1.99 -0.30 112.91 116.39 1htl h THR 6 Ca 0.06 -1.44 -0.16 0.00 0.77 0.00 0.00 66.41 65.64 1htl h THR 6 Cb 0.43 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1htl h THR 6 CO 0.02 0.46 -0.69 -0.33 0.37 0.00 0.00 175.52 175.36 1htl h GLU 7 N 0.51 0.20 -0.02 6.66 5.08 -1.84 -3.12 114.58 122.05 1htl h GLU 7 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1htl h GLU 7 Cb 0.81 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1htl h GLU 7 CO 0.07 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 180.14 1htl h LEU 8 N 0.14 0.03 -1.72 1.33 6.46 -0.96 -3.12 115.31 117.46 1htl h LEU 8 Ca -0.02 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1htl h LEU 8 Cb 1.23 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 1htl h LEU 8 CO 0.10 0.29 0.29 0.00 -0.62 0.00 0.00 178.44 178.51 1htl n SER 10 N -4.48 0.41 -0.53 0.00 3.41 -1.18 -2.47 113.62 108.79 1htl n SER 10 Ca 0.06 -1.17 0.10 0.00 -0.26 0.00 0.00 58.87 57.59 1htl n SER 10 Cb 0.25 -0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.55 1htl n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1htl n GLU 11 N -0.66 1.69 -4.35 4.33 1.02 -1.04 -4.88 120.64 116.75 1htl n GLU 11 Ca 0.22 -1.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.06 1htl n GLU 11 Cb 0.17 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 1htl n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1htl s TYR 12 N -1.77 2.53 0.03 -0.32 2.02 -1.03 -5.12 117.35 113.69 1htl s TYR 12 Ca 0.30 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.63 1htl s TYR 12 Cb 0.16 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 1htl s TYR 12 CO 0.24 0.58 0.37 1.03 -1.57 0.00 0.00 175.55 176.20 1htl s ARG 13 N -3.14 3.77 -1.46 -0.62 0.52 -1.26 -4.26 118.95 112.50 1htl s ARG 13 Ca 0.27 0.21 -0.06 0.00 -0.52 0.00 0.00 55.73 55.62 1htl s ARG 13 Cb -0.07 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.33 1htl s ARG 13 CO 0.15 0.63 0.57 0.09 0.02 0.00 0.00 175.30 176.77 1htl n ASN 14 N 1.32 -5.28 -4.88 0.23 5.03 -1.26 -4.93 115.26 105.49 1htl n ASN 14 Ca -0.11 -0.32 -0.21 0.00 0.87 0.00 0.00 54.58 54.81 1htl n ASN 14 Cb 0.53 -4.29 -0.03 0.00 -1.02 0.00 0.00 39.78 34.96 1htl n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1htl s THR 15 N -3.09 2.81 -0.16 3.41 -4.23 -1.26 -0.73 115.64 112.40 1htl s THR 15 Ca 0.34 -1.34 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 1htl s THR 15 Cb -0.16 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.75 1htl s THR 15 CO 0.42 -0.03 0.84 -1.58 -0.54 0.00 0.00 174.62 173.73 1htl s GLN 16 N -4.12 0.79 -0.16 3.99 0.74 -0.17 -4.83 119.66 115.89 1htl s GLN 16 Ca 0.47 0.39 -0.07 0.00 0.05 0.00 0.00 55.36 56.20 1htl s GLN 16 Cb -0.04 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 1htl s GLN 16 CO 0.28 -0.20 0.08 0.42 -0.55 0.00 0.00 175.29 175.31 1htl s ILE 17 N -0.70 4.96 -0.08 -2.34 -1.09 -1.26 -0.23 121.20 120.47 1htl s ILE 17 Ca -0.04 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 1htl s ILE 17 Cb -0.02 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 1htl s ILE 17 CO 0.03 0.50 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.75 1htl s TYR 18 N -0.03 2.62 -0.25 3.97 1.51 0.10 -4.97 117.35 120.29 1htl s TYR 18 Ca 0.07 -0.59 -0.15 0.00 -1.01 0.00 0.00 57.07 55.39 1htl s TYR 18 Cb -0.12 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1htl s TYR 18 CO 0.01 -0.13 0.38 0.99 -1.11 0.00 0.00 175.55 175.69 1htl s THR 19 N -0.12 5.18 -0.17 -0.71 2.01 -1.26 -0.89 115.64 119.68 1htl s THR 19 Ca -0.03 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 1htl s THR 19 Cb -0.14 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 1htl s THR 19 CO 0.04 0.18 -0.34 -0.38 -0.69 0.00 0.00 174.62 173.44 1htl n ILE 20 N 4.88 1.49 -3.47 1.82 2.08 0.31 -4.98 119.36 121.48 1htl n ILE 20 Ca -0.08 0.13 -0.25 0.00 0.56 0.00 0.00 62.75 63.11 1htl n ILE 20 Cb 0.51 -2.31 0.05 0.00 -0.75 0.00 0.00 39.64 37.14 1htl n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1htl n ASN 21 N -4.42 -5.81 -3.61 4.38 5.15 0.42 -4.96 115.26 106.42 1htl n ASN 21 Ca -0.15 -0.50 -0.11 0.00 -0.60 0.00 0.00 54.58 53.23 1htl n ASN 21 Cb 0.51 -4.63 -0.04 0.00 -0.53 0.00 0.00 39.78 35.09 1htl n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1htl s ASP 22 N -3.08 -0.27 0.53 1.20 2.15 -0.63 -4.88 116.67 111.69 1htl s ASP 22 Ca 0.50 -0.29 -0.14 0.00 0.43 0.00 0.00 52.55 53.05 1htl s ASP 22 Cb -0.23 0.49 -0.07 0.00 -0.30 0.00 0.00 42.92 42.81 1htl s ASP 22 CO 0.62 -0.87 0.97 -1.59 -0.17 0.00 0.00 175.17 174.13 1htl s LYS 23 N -3.80 3.84 -0.04 4.34 -2.85 -1.26 -0.54 119.74 119.43 1htl s LYS 23 Ca 0.03 0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 55.54 1htl s LYS 23 Cb 0.01 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.59 1htl s LYS 23 CO -0.12 -0.31 1.36 0.42 0.10 0.00 0.00 175.35 176.80 1htl s ILE 24 N -2.73 3.91 -0.04 3.79 1.01 -1.26 -4.74 121.20 121.14 1htl s ILE 24 Ca 0.57 1.23 -0.23 0.00 0.00 0.00 0.00 60.65 62.22 1htl s ILE 24 Cb -0.10 -3.79 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 1htl s ILE 24 CO 0.37 -0.03 1.04 0.25 0.00 0.00 0.00 174.94 176.56 1htl h LEU 25 N 8.71 0.32 -8.40 2.97 5.85 -1.44 -3.47 115.31 119.84 1htl h LEU 25 Ca -0.35 -0.78 -0.36 0.00 0.84 0.00 0.00 57.88 57.22 1htl h LEU 25 Cb 1.16 -0.10 -0.20 0.00 0.37 0.00 0.00 40.66 41.89 1htl h LEU 25 CO 0.91 1.06 -0.76 -0.55 -0.34 0.00 0.00 178.44 178.77 1htl s SER 26 N -6.47 1.52 -0.04 1.25 0.15 -1.03 -4.99 113.70 104.09 1htl s SER 26 Ca -0.15 -0.68 -0.00 0.00 0.70 0.00 0.00 55.95 55.82 1htl s SER 26 Cb 0.02 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1htl s SER 26 CO 0.77 -0.16 0.01 -0.47 1.20 0.00 0.00 173.24 174.60 1htl s TYR 27 N -1.70 0.29 -0.10 3.44 5.04 -1.26 -2.23 117.35 120.83 1htl s TYR 27 Ca -0.00 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 1htl s TYR 27 Cb -0.07 -0.46 0.02 0.00 0.35 0.00 0.00 41.96 41.80 1htl s TYR 27 CO 0.01 -0.16 -0.10 0.99 -1.34 0.00 0.00 175.55 174.95 1htl s THR 28 N 1.33 1.14 -0.12 4.34 2.01 0.69 -4.98 115.64 120.05 1htl s THR 28 Ca -0.05 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1htl s THR 28 Cb -0.13 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1htl s THR 28 CO -0.02 0.37 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.38 1htl s GLU 29 N 1.27 3.17 -0.08 4.92 2.12 -1.26 -0.76 118.70 128.09 1htl s GLU 29 Ca -0.03 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1htl s GLU 29 Cb -0.14 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.82 1htl s GLU 29 CO -0.04 0.17 -0.09 0.45 -0.54 0.00 0.00 175.26 175.21 1htl s SER 30 N 0.41 1.75 -0.08 -1.70 0.15 -0.59 -4.98 113.70 108.66 1htl s SER 30 Ca -0.14 -0.26 0.19 0.00 0.70 0.00 0.00 55.95 56.44 1htl s SER 30 Cb -0.17 -0.75 0.69 0.00 -1.71 0.00 0.00 66.02 64.08 1htl s SER 30 CO 0.06 -0.04 1.59 1.15 1.20 0.00 0.00 173.24 177.21 1htl n MET 31 N 4.29 3.46 -1.73 5.44 0.00 -1.26 -1.84 117.12 125.48 1htl n MET 31 Ca -0.19 -2.81 -0.40 0.00 0.00 0.00 0.00 57.70 54.29 1htl n MET 31 Cb 0.51 -1.79 0.02 0.00 0.00 0.00 0.00 33.22 31.95 1htl n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htl n ALA 32 N 1.19 1.66 -1.67 3.17 0.00 -1.26 -4.78 120.51 118.82 1htl n ALA 32 Ca 0.25 0.24 -0.46 0.00 0.00 0.00 0.00 53.44 53.48 1htl n ALA 32 Cb 0.81 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1htl n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1htl n GLY 33 N 0.70 0.98 2.74 0.00 0.00 -1.26 -1.62 105.19 106.73 1htl n GLY 33 Ca 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 1htl n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1htl n LYS 34 N 2.91 -1.63 -2.35 1.61 5.02 -1.26 -4.78 118.16 117.68 1htl n LYS 34 Ca 0.15 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 1htl n LYS 34 Cb 0.29 -5.36 0.04 0.00 -0.02 0.00 0.00 35.03 29.98 1htl n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1htl n ARG 35 N -1.16 1.12 -2.42 1.97 5.12 -0.64 -5.02 116.66 115.63 1htl n ARG 35 Ca -0.13 -2.68 -0.43 0.00 -1.93 0.00 0.00 57.85 52.68 1htl n ARG 35 Cb 0.61 -0.81 -0.02 0.00 -1.16 0.00 0.00 32.46 31.08 1htl n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1htl s GLU 36 N -2.09 4.01 -0.07 5.56 8.01 -1.14 -4.23 118.70 128.75 1htl s GLU 36 Ca 0.25 1.37 -0.32 0.00 0.01 0.00 0.00 54.97 56.29 1htl s GLU 36 Cb 0.34 -3.84 0.13 0.00 -4.31 0.00 0.00 34.13 26.44 1htl s GLU 36 CO -0.08 -0.99 1.25 0.00 0.01 0.00 0.00 175.26 175.44 1htl s MET 37 N 3.96 0.39 -0.05 1.61 0.23 -0.77 -4.28 119.30 120.40 1htl s MET 37 Ca 0.56 -0.20 0.06 0.00 -1.03 0.00 0.00 55.69 55.08 1htl s MET 37 Cb -0.18 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.25 1htl s MET 37 CO 0.20 -0.18 -0.24 0.08 -2.03 0.00 0.00 175.02 172.85 1htl s VAL 38 N -2.45 1.99 -0.04 5.16 1.01 -1.25 -1.55 120.40 123.27 1htl s VAL 38 Ca 0.12 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1htl s VAL 38 Cb 0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1htl s VAL 38 CO -0.04 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 1htl s ILE 39 N -0.23 1.69 0.09 2.22 1.01 0.06 -2.30 121.20 123.75 1htl s ILE 39 Ca -0.01 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1htl s ILE 39 Cb -0.13 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1htl s ILE 39 CO 0.03 0.48 -0.13 0.27 0.00 0.00 0.00 174.94 175.58 1htl s ILE 40 N -0.13 1.12 0.03 2.92 -4.36 -0.88 -0.22 121.20 119.68 1htl s ILE 40 Ca -0.02 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 1htl s ILE 40 Cb -0.12 -1.20 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1htl s ILE 40 CO 0.02 -0.32 -0.04 0.42 0.24 0.00 0.00 174.94 175.26 1htl s THR 41 N -1.65 0.23 0.21 8.37 -4.23 -0.95 -2.31 115.64 115.32 1htl s THR 41 Ca 0.01 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1htl s THR 41 Cb -0.08 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1htl s THR 41 CO 0.02 -0.47 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.21 1htl s PHE 42 N -1.46 2.67 -0.97 3.99 0.08 -0.90 -1.04 117.98 120.35 1htl s PHE 42 Ca -0.14 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1htl s PHE 42 Cb -0.10 -1.26 0.17 0.00 -0.57 0.00 0.00 43.02 41.26 1htl s PHE 42 CO -0.01 0.55 1.12 0.36 -0.10 0.00 0.00 175.22 177.15 1htl n LYS 43 N -0.28 0.01 0.20 0.44 2.85 -1.26 -0.33 118.16 119.78 1htl n LYS 43 Ca -0.09 0.45 0.07 0.00 -1.05 0.00 0.00 58.31 57.69 1htl n LYS 43 Cb 0.57 -1.52 0.35 0.00 -0.65 0.00 0.00 35.03 33.78 1htl n LYS 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1htl h SER 44 N 0.00 0.00 0.00 -5.58 4.64 -1.98 -3.47 113.55 107.17 1htl h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1htl h SER 44 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1htl h SER 44 CO 0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1htl n GLY 45 N 0.33 0.80 3.80 -0.77 0.00 0.55 -5.10 105.19 104.80 1htl n GLY 45 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1htl n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1htl s GLU 46 N -0.44 4.17 -0.05 1.61 2.02 -1.25 -4.84 118.70 119.92 1htl s GLU 46 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.29 1htl s GLU 46 Cb 0.00 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1htl s GLU 46 CO 0.00 -0.10 -0.02 0.99 0.02 0.00 0.00 175.26 176.14 1htl s THR 47 N -1.93 0.43 0.24 3.63 2.01 -1.26 -2.11 115.64 116.65 1htl s THR 47 Ca 0.61 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1htl s THR 47 Cb -0.15 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1htl s THR 47 CO 0.19 0.22 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.91 1htl s PHE 48 N 1.28 1.78 0.14 4.92 0.08 -0.98 -3.66 117.98 121.54 1htl s PHE 48 Ca -0.06 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1htl s PHE 48 Cb -0.13 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1htl s PHE 48 CO -0.02 0.24 0.03 1.14 -0.10 0.00 0.00 175.22 176.51 1htl s GLN 49 N -3.72 0.98 -0.30 0.44 -2.07 -0.23 -2.07 119.66 112.69 1htl s GLN 49 Ca 0.26 -1.47 -0.01 0.00 -1.82 0.00 0.00 55.36 52.33 1htl s GLN 49 Cb 0.03 0.01 0.06 0.00 -1.09 0.00 0.00 33.01 32.02 1htl s GLN 49 CO 0.09 -0.19 -0.01 0.08 -1.32 0.00 0.00 175.29 173.94 1htl s VAL 50 N -3.87 2.84 1.20 3.63 1.01 -0.97 -1.78 120.40 122.46 1htl s VAL 50 Ca 0.23 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.59 1htl s VAL 50 Cb 0.07 -2.66 0.30 0.00 0.00 0.00 0.00 36.38 34.08 1htl s VAL 50 CO 0.02 -0.13 1.02 -1.83 0.00 0.00 0.00 175.10 174.18 1htl s GLU 51 N 1.21 -1.17 0.12 2.72 -1.05 -1.26 -3.75 118.70 115.53 1htl s GLU 51 Ca -0.05 0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 55.19 1htl s GLU 51 Cb -0.20 -1.53 -0.06 0.00 -0.44 0.00 0.00 34.13 31.89 1htl s GLU 51 CO -0.02 -3.86 1.11 0.08 0.95 0.00 0.00 175.26 173.52 1htl s VAL 52 N -2.46 4.06 -0.69 1.83 1.01 -1.26 -4.90 120.40 117.99 1htl s VAL 52 Ca 0.68 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 64.04 1htl s VAL 52 Cb -0.24 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1htl s VAL 52 CO 0.64 0.22 2.28 -2.84 0.00 0.00 0.00 175.10 175.39 1htl s PRO 53 N 0.24 2.02 0.00 2.72 0.02 -1.26 -4.85 135.00 133.89 1htl s PRO 53 Ca 0.52 0.69 0.00 0.00 0.02 0.00 0.00 61.00 62.24 1htl s PRO 53 Cb -0.28 -4.71 0.00 0.00 0.02 0.00 0.00 34.50 29.53 1htl s PRO 53 CO 0.32 -3.70 0.00 0.41 -0.33 0.00 0.00 177.00 173.70 1htl n GLY 54 N 6.42 3.48 0.01 0.52 0.00 -1.26 -5.04 105.19 109.32 1htl n GLY 54 Ca 0.39 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.76 1htl n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1htl n SER 55 N 0.00 0.58 0.00 1.61 7.64 -1.26 -4.09 113.62 118.10 1htl n SER 55 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1htl n SER 55 Cb 0.00 1.27 0.01 0.00 -1.01 0.00 0.00 64.21 64.48 1htl n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1htl n GLN 56 N -1.86 0.50 -4.84 1.43 0.00 -1.26 -4.56 117.38 106.79 1htl n GLN 56 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 57.00 56.74 1htl n GLN 56 Cb 0.43 -1.01 -0.16 0.00 0.00 0.00 0.00 30.24 29.50 1htl n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1htl s HIS 57 N -2.00 1.81 0.49 2.61 3.76 -1.26 -5.13 115.29 115.57 1htl s HIS 57 Ca 0.00 -0.61 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 1htl s HIS 57 Cb 0.00 -1.24 -0.08 0.00 1.11 0.00 0.00 32.58 32.37 1htl s HIS 57 CO 0.00 -0.25 1.00 0.96 -0.85 0.00 0.00 174.74 175.60 1htl s ILE 58 N 0.28 4.20 0.28 0.60 -4.36 -1.26 -4.95 121.20 115.99 1htl s ILE 58 Ca -0.10 1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 61.49 1htl s ILE 58 Cb -0.14 -3.57 0.35 0.00 1.25 0.00 0.00 42.46 40.36 1htl s ILE 58 CO 0.04 -0.44 1.60 0.44 0.24 0.00 0.00 174.94 176.83 1htl h ASP 59 N 1.32 -0.45 -0.45 4.36 3.32 -1.97 -0.94 116.42 121.61 1htl h ASP 59 Ca -0.48 0.24 0.13 0.00 0.02 0.00 0.00 57.03 56.94 1htl h ASP 59 Cb 1.20 0.43 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 1htl h ASP 59 CO 0.60 -0.26 0.43 0.77 -1.72 0.00 0.00 179.24 179.05 1htl h SER 60 N 0.06 0.00 0.49 6.45 4.64 -2.05 -1.67 113.55 121.48 1htl h SER 60 Ca 0.50 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.73 1htl h SER 60 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1htl h SER 60 CO -0.81 0.00 -0.43 1.56 -0.87 0.00 0.00 176.83 176.28 1htl h GLN 61 N 0.00 0.00 -0.90 4.77 4.20 -1.53 -3.22 115.11 118.42 1htl h GLN 61 Ca 0.22 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.09 1htl h GLN 61 Cb 1.06 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 1htl h GLN 61 CO -0.00 0.43 0.58 0.87 -0.67 0.00 0.00 178.83 180.05 1htl h LYS 62 N 0.00 0.61 0.00 1.46 6.56 -1.43 0.16 116.57 123.92 1htl h LYS 62 Ca -0.00 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 1htl h LYS 62 Cb 0.80 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1htl h LYS 62 CO 0.06 0.40 -0.32 1.57 -2.06 0.00 0.00 179.45 179.10 1htl h LYS 63 N 0.63 0.00 0.01 3.15 2.10 -1.75 -3.24 116.57 117.46 1htl h LYS 63 Ca 0.47 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.91 1htl h LYS 63 Cb 0.85 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.16 1htl h LYS 63 CO -0.22 0.12 -0.97 0.00 -2.00 0.00 0.00 179.45 176.38 1htl h ALA 64 N 1.86 0.41 -0.06 0.07 0.00 -0.98 -2.95 119.26 117.61 1htl h ALA 64 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1htl h ALA 64 Cb 1.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1htl h ALA 64 CO 0.02 1.16 0.01 0.82 0.00 0.00 0.00 179.25 181.26 1htl h ILE 65 N 0.01 1.22 -0.61 0.00 2.04 -0.85 -1.88 117.51 117.44 1htl h ILE 65 Ca -0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1htl h ILE 65 Cb 1.70 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 1htl h ILE 65 CO 0.13 0.18 0.31 -0.33 0.00 0.00 0.00 178.15 178.45 1htl h GLU 66 N -0.16 0.84 -0.55 2.37 4.39 -1.61 -2.00 114.58 117.86 1htl h GLU 66 Ca 0.02 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1htl h GLU 66 Cb 0.29 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1htl h GLU 66 CO 0.00 0.63 0.10 -0.09 -1.16 0.00 0.00 179.01 178.49 1htl h ARG 67 N 0.85 0.91 -0.59 2.33 2.43 -1.37 -2.80 114.38 116.13 1htl h ARG 67 Ca 0.21 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1htl h ARG 67 Cb 0.05 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1htl h ARG 67 CO -0.03 0.87 0.26 1.98 -1.51 0.00 0.00 179.97 181.55 1htl h MET 68 N 0.80 0.84 0.00 0.20 4.05 -0.62 -1.93 114.93 118.27 1htl h MET 68 Ca 0.17 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1htl h MET 68 Cb 0.40 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1htl h MET 68 CO 0.01 0.67 -0.44 0.87 0.23 0.00 0.00 176.91 178.25 1htl h LYS 69 N 0.84 0.00 -0.19 0.39 1.57 -1.27 -2.01 116.57 115.90 1htl h LYS 69 Ca 0.20 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1htl h LYS 69 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1htl h LYS 69 CO -0.02 0.44 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.63 1htl h ASP 70 N 0.00 0.53 0.19 0.86 3.32 -1.15 -2.48 116.42 117.70 1htl h ASP 70 Ca -0.00 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 1htl h ASP 70 Cb 0.86 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1htl h ASP 70 CO 0.06 0.92 -0.12 0.74 -1.72 0.00 0.00 179.24 179.11 1htl h THR 71 N 0.15 0.74 -0.61 0.35 2.02 -1.32 -2.13 112.91 112.10 1htl h THR 71 Ca 0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1htl h THR 71 Cb 0.78 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1htl h THR 71 CO 0.05 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 176.28 1htl h LEU 72 N -0.31 0.65 0.10 2.58 3.38 -1.37 -0.45 115.31 119.89 1htl h LEU 72 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1htl h LEU 72 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1htl h LEU 72 CO 0.02 0.45 -0.05 -0.09 0.09 0.00 0.00 178.44 178.86 1htl h ARG 73 N 0.76 -0.13 0.00 1.13 2.43 -1.27 -1.44 114.38 115.86 1htl h ARG 73 Ca 0.24 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1htl h ARG 73 Cb 0.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1htl h ARG 73 CO -0.06 0.20 -0.22 0.97 -1.51 0.00 0.00 179.97 179.35 1htl h ILE 74 N -0.47 0.97 -0.09 1.20 2.10 -1.24 0.39 117.51 120.37 1htl h ILE 74 Ca -0.01 -0.82 -0.08 0.00 1.08 0.00 0.00 64.86 65.03 1htl h ILE 74 Cb 0.39 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1htl h ILE 74 CO 0.02 0.22 -0.25 0.74 -1.08 0.00 0.00 178.15 177.80 1htl h THR 75 N 0.00 1.40 -0.37 2.19 2.02 -1.04 -1.20 112.91 115.92 1htl h THR 75 Ca -0.00 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 1htl h THR 75 Cb 0.45 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 1htl h THR 75 CO 0.03 0.46 0.11 0.22 0.37 0.00 0.00 175.52 176.71 1htl h TYR 76 N -0.13 0.60 -0.72 3.16 3.20 -0.92 -0.34 116.97 121.82 1htl h TYR 76 Ca -0.01 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 1htl h TYR 76 Cb 0.87 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1htl h TYR 76 CO 0.12 0.57 0.24 -0.07 -1.64 0.00 0.00 178.16 177.38 1htl h LEU 77 N 0.45 1.03 0.00 2.82 3.38 -0.93 -3.09 115.31 118.97 1htl h LEU 77 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1htl h LEU 77 Cb 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1htl h LEU 77 CO -0.00 0.95 -0.37 0.71 0.09 0.00 0.00 178.44 179.82 1htl h THR 78 N 1.06 0.00 -0.41 0.22 1.35 -1.11 -3.48 112.91 110.54 1htl h THR 78 Ca 0.24 -0.84 -0.06 0.00 -0.55 0.00 0.00 66.41 65.20 1htl h THR 78 Cb 0.28 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1htl h THR 78 CO -0.01 0.00 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.56 1htl n GLU 79 N -2.70 -0.25 -2.35 4.72 1.02 -0.17 -5.02 120.64 115.90 1htl n GLU 79 Ca 0.03 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 1htl n GLU 79 Cb 0.51 -3.88 -0.03 0.00 -0.02 0.00 0.00 31.44 28.01 1htl n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1htl s THR 80 N -2.15 3.52 0.15 2.62 2.01 -1.02 -4.78 115.64 115.99 1htl s THR 80 Ca 0.00 1.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 1htl s THR 80 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1htl s THR 80 CO 0.00 0.20 1.24 -0.54 -0.69 0.00 0.00 174.62 174.82 1htl s LYS 81 N -0.17 4.44 -0.11 4.92 1.02 -1.26 -4.49 119.74 124.09 1htl s LYS 81 Ca 0.54 1.90 -0.14 0.00 0.02 0.00 0.00 55.97 58.28 1htl s LYS 81 Cb -0.33 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1htl s LYS 81 CO 0.37 -0.19 0.35 0.42 -0.92 0.00 0.00 175.35 175.38 1htl s ILE 82 N 0.36 5.23 -0.02 2.17 1.01 0.30 -4.55 121.20 125.70 1htl s ILE 82 Ca 0.56 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 1htl s ILE 82 Cb -0.33 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1htl s ILE 82 CO 0.34 0.44 -0.02 -0.78 0.00 0.00 0.00 174.94 174.92 1htl h ASP 83 N 6.11 0.00 -3.56 3.58 3.58 -1.45 0.15 116.42 124.83 1htl h ASP 83 Ca -0.44 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.56 1htl h ASP 83 Cb 1.18 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.07 1htl h ASP 83 CO 0.71 0.12 -0.75 -0.54 -2.88 0.00 0.00 179.24 175.90 1htl s LYS 84 N -1.17 1.22 -0.02 0.28 1.02 -1.18 0.11 119.74 120.00 1htl s LYS 84 Ca -0.01 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 54.54 1htl s LYS 84 Cb 0.00 -1.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 1htl s LYS 84 CO 0.02 0.19 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.07 1htl s LEU 85 N -2.95 1.70 -0.28 3.17 1.43 -0.07 -2.42 118.68 119.28 1htl s LEU 85 Ca 0.17 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1htl s LEU 85 Cb -0.03 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 1htl s LEU 85 CO 0.05 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.74 1htl s VAL 87 N 1.57 2.51 -0.26 0.00 -7.23 0.68 0.45 120.40 118.13 1htl s VAL 87 Ca 0.05 -2.26 -0.15 0.00 -1.81 0.00 0.00 61.98 57.81 1htl s VAL 87 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1htl s VAL 87 CO 0.03 -0.32 0.38 0.26 -0.31 0.00 0.00 175.10 175.14 1htl s TRP 88 N -2.52 3.27 -2.63 2.82 0.51 0.10 -1.00 118.94 119.49 1htl s TRP 88 Ca 0.31 0.45 0.26 0.00 -2.12 0.00 0.00 56.10 55.00 1htl s TRP 88 Cb -0.02 -2.56 0.72 0.00 -0.81 0.00 0.00 33.47 30.80 1htl s TRP 88 CO 0.16 -0.18 1.56 0.27 -0.51 0.00 0.00 176.95 178.25 1htl n ASN 89 N 5.14 2.09 0.00 2.95 0.23 0.10 -2.01 115.26 123.76 1htl n ASN 89 Ca -0.08 -1.70 0.12 0.00 -0.53 0.00 0.00 54.58 52.38 1htl n ASN 89 Cb 0.51 -0.02 0.72 0.00 -2.08 0.00 0.00 39.78 38.90 1htl n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1htl n ASN 90 N 0.63 0.00 -3.90 0.53 0.23 -1.26 -4.81 115.26 106.67 1htl n ASN 90 Ca 0.17 -0.94 -0.09 0.00 -0.53 0.00 0.00 54.58 53.19 1htl n ASN 90 Cb 0.44 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.06 1htl n ASN 90 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1htl s LYS 91 N -2.00 0.69 -0.11 -3.83 -2.85 -1.26 -5.14 119.74 105.23 1htl s LYS 91 Ca 0.36 -0.83 0.03 0.00 -1.00 0.00 0.00 55.97 54.54 1htl s LYS 91 Cb 0.17 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1htl s LYS 91 CO 0.28 -0.19 -0.22 0.99 0.10 0.00 0.00 175.35 176.31 1htl s THR 92 N -3.08 1.94 0.76 3.79 2.01 -1.26 -3.02 115.64 116.78 1htl s THR 92 Ca -0.01 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 1htl s THR 92 Cb 0.01 -1.70 0.05 0.00 0.01 0.00 0.00 72.50 70.88 1htl s THR 92 CO -0.07 0.53 1.10 -2.84 -0.69 0.00 0.00 174.62 172.65 1htl s PRO 93 N 0.60 2.29 0.37 4.92 0.02 -1.26 -5.09 135.00 136.85 1htl s PRO 93 Ca -0.13 1.22 -0.27 0.00 0.02 0.00 0.00 61.00 61.84 1htl s PRO 93 Cb -0.17 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 1htl s PRO 93 CO 0.04 -1.62 1.34 0.09 -0.33 0.00 0.00 177.00 176.51 1htl n ASN 94 N -3.36 3.00 -4.78 2.53 5.03 -1.17 -4.44 115.26 112.06 1htl n ASN 94 Ca 0.09 1.19 -0.37 0.00 0.87 0.00 0.00 54.58 56.36 1htl n ASN 94 Cb 0.53 -1.53 -0.06 0.00 -1.02 0.00 0.00 39.78 37.70 1htl n ASN 94 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1htl s SER 95 N -0.31 7.34 -0.24 6.41 0.01 -0.85 -1.07 113.70 125.00 1htl s SER 95 Ca 0.56 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 59.44 1htl s SER 95 Cb -0.53 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.11 1htl s SER 95 CO 0.62 -0.00 0.39 -0.63 0.41 0.00 0.00 173.24 174.02 1htl s ILE 96 N -1.51 5.18 -0.23 1.44 1.01 -0.73 0.03 121.20 126.39 1htl s ILE 96 Ca 0.47 0.65 -0.05 0.00 0.00 0.00 0.00 60.65 61.72 1htl s ILE 96 Cb -0.20 -3.72 -0.18 0.00 0.01 0.00 0.00 42.46 38.38 1htl s ILE 96 CO 0.25 0.20 -0.11 0.00 0.00 0.00 0.00 174.94 175.28 1htl n ALA 97 N 4.90 1.24 -2.63 9.38 0.00 0.17 -4.91 120.51 128.65 1htl n ALA 97 Ca -0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 1htl n ALA 97 Cb 0.51 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 1htl n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1htl s ALA 98 N -2.51 -0.33 0.03 0.00 0.00 -1.01 -4.99 121.76 112.94 1htl s ALA 98 Ca -0.33 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1htl s ALA 98 Cb 0.10 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1htl s ALA 98 CO 0.61 -0.52 -0.03 -1.50 0.00 0.00 0.00 175.76 174.32 1htl s ILE 99 N -3.76 0.16 -0.06 0.00 2.07 -1.26 -1.66 121.20 116.69 1htl s ILE 99 Ca 0.04 -1.26 -0.11 0.00 -1.41 0.00 0.00 60.65 57.92 1htl s ILE 99 Cb 0.04 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.91 1htl s ILE 99 CO -0.11 -0.69 0.26 -0.94 -1.91 0.00 0.00 174.94 171.56 1htl s SER 100 N -2.02 -0.21 -0.00 4.50 1.04 -1.01 -5.02 113.70 110.98 1htl s SER 100 Ca -0.07 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1htl s SER 100 Cb -0.03 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 1htl s SER 100 CO -0.04 -0.24 -0.02 -0.04 0.98 0.00 0.00 173.24 173.88 1htl s MET 101 N -0.51 0.13 0.05 4.02 -1.94 -1.26 -1.20 119.30 118.59 1htl s MET 101 Ca -0.06 -0.07 0.06 0.00 -1.71 0.00 0.00 55.69 53.91 1htl s MET 101 Cb -0.04 -0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.66 1htl s MET 101 CO 0.02 0.03 -0.17 -1.59 -0.01 0.00 0.00 175.02 173.30 1htl s LYS 102 N -0.08 1.07 0.00 2.03 -2.85 -1.26 -4.95 119.74 113.70 1htl s LYS 102 Ca 0.00 -0.89 0.12 0.00 -1.00 0.00 0.00 55.97 54.20 1htl s LYS 102 Cb -0.01 -1.15 0.10 0.00 -2.06 0.00 0.00 37.83 34.71 1htl s LYS 102 CO -0.00 0.28 0.89 -1.71 0.10 0.00 0.00 175.35 174.91