#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 1.72 0.00 0.00 0.04 -1.26 -5.01 135.00 130.50 1htl s PRO 2 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1htl s PRO 2 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1htl s PRO 2 CO 0.00 -1.87 0.46 1.04 0.04 0.00 0.00 177.00 176.68 1htl n GLN 3 N -3.60 -0.47 -3.84 4.56 6.02 -1.26 -4.97 117.38 113.83 1htl n GLN 3 Ca 0.07 -0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 56.46 1htl n GLN 3 Cb 0.57 -0.91 -0.06 0.00 1.02 0.00 0.00 30.24 30.85 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 -0.09 0.10 0.24 5.09 -4.23 -1.26 -5.06 115.64 110.43 1htl s THR 4 Ca 0.00 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1htl s THR 4 Cb 0.00 -1.47 0.22 0.00 1.34 0.00 0.00 72.50 72.59 1htl s THR 4 CO 0.00 -0.45 1.85 -0.29 -0.54 0.00 0.00 174.62 175.18 1htl h ILE 5 N 2.58 1.02 -0.24 2.99 2.10 -1.97 -2.44 117.51 121.56 1htl h ILE 5 Ca -0.33 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.27 1htl h ILE 5 Cb 1.22 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1htl h ILE 5 CO 0.51 0.17 0.09 0.71 -1.08 0.00 0.00 178.15 178.56 1htl h THR 6 N 0.95 1.17 -0.62 2.19 1.35 -1.98 0.28 112.91 116.26 1htl h THR 6 Ca 0.38 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1htl h THR 6 Cb 0.20 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1htl h THR 6 CO -0.18 0.17 0.31 -0.33 -0.25 0.00 0.00 175.52 175.25 1htl h GLU 7 N 0.24 0.86 -0.15 4.72 5.08 -1.93 -2.00 114.58 121.40 1htl h GLU 7 Ca 0.08 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1htl h GLU 7 Cb 0.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1htl h GLU 7 CO -0.01 0.65 -0.28 1.25 -1.00 0.00 0.00 179.01 179.63 1htl h LEU 8 N 0.87 0.50 -1.80 1.33 6.46 -1.15 -3.05 115.31 118.47 1htl h LEU 8 Ca 0.22 -0.55 0.12 0.00 -0.12 0.00 0.00 57.88 57.55 1htl h LEU 8 Cb 0.06 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1htl h LEU 8 CO -0.03 0.95 0.38 0.00 -0.62 0.00 0.00 178.44 179.12 1htl n SER 10 N -4.44 0.00 -1.15 0.00 7.64 -0.78 -3.11 113.62 111.78 1htl n SER 10 Ca 0.09 -0.88 0.11 0.00 1.01 0.00 0.00 58.87 59.20 1htl n SER 10 Cb 0.46 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.90 1htl n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1htl n GLU 11 N -0.92 2.54 -4.40 1.43 1.02 -0.57 -4.95 120.64 114.78 1htl n GLU 11 Ca 0.16 -2.36 -0.25 0.00 -0.02 0.00 0.00 57.16 54.69 1htl n GLU 11 Cb 0.07 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.25 2.18 0.06 -0.32 1.51 -1.18 -5.11 117.35 113.24 1htl s TYR 12 Ca 0.40 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.82 1htl s TYR 12 Cb 0.22 -1.07 -0.06 0.00 -0.11 0.00 0.00 41.96 40.94 1htl s TYR 12 CO 0.30 0.47 0.77 0.50 -1.11 0.00 0.00 175.55 176.48 1htl s ARG 13 N -2.76 4.50 -0.72 -0.62 3.52 -1.26 -4.31 118.95 117.31 1htl s ARG 13 Ca 0.20 1.08 -0.01 0.00 -0.13 0.00 0.00 55.73 56.87 1htl s ARG 13 Cb -0.07 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1htl s ARG 13 CO 0.09 0.33 0.60 0.09 -0.81 0.00 0.00 175.30 175.60 1htl n ASN 14 N 2.63 -2.34 -4.30 -2.12 4.13 -1.26 -4.98 115.26 107.02 1htl n ASN 14 Ca -0.03 -0.36 -0.20 0.00 1.68 0.00 0.00 54.58 55.67 1htl n ASN 14 Cb 0.50 -3.21 -0.11 0.00 -1.54 0.00 0.00 39.78 35.42 1htl n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1htl s THR 15 N -3.21 1.64 -0.09 3.41 -4.23 -1.26 -1.43 115.64 110.47 1htl s THR 15 Ca 0.04 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1htl s THR 15 Cb -0.02 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.08 1htl s THR 15 CO 0.43 -0.39 0.33 0.00 -0.54 0.00 0.00 174.62 174.44 1htl s GLN 16 N -2.89 0.50 0.14 3.99 -2.07 0.14 -4.87 119.66 114.61 1htl s GLN 16 Ca 0.14 0.22 -0.23 0.00 -1.82 0.00 0.00 55.36 53.68 1htl s GLN 16 Cb -0.05 0.23 -0.08 0.00 -1.09 0.00 0.00 33.01 32.03 1htl s GLN 16 CO 0.05 -0.10 0.70 0.42 -1.32 0.00 0.00 175.29 175.05 1htl s ILE 17 N -0.39 4.51 -0.24 3.63 -1.09 -1.26 -2.03 121.20 124.33 1htl s ILE 17 Ca -0.05 1.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.88 1htl s ILE 17 Cb -0.03 -4.03 0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1htl s ILE 17 CO 0.02 0.49 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.84 1htl s TYR 18 N -1.18 2.65 -0.62 3.97 2.02 -0.26 -4.99 117.35 118.94 1htl s TYR 18 Ca 0.34 -1.90 -0.27 0.00 -0.37 0.00 0.00 57.07 54.87 1htl s TYR 18 Cb -0.21 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1htl s TYR 18 CO 0.23 -0.80 1.40 0.99 -1.57 0.00 0.00 175.55 175.80 1htl s THR 19 N 1.31 3.74 0.00 -0.71 2.01 -1.26 -1.14 115.64 119.59 1htl s THR 19 Ca -0.06 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1htl s THR 19 Cb -0.19 -4.56 0.00 0.00 0.01 0.00 0.00 72.50 67.76 1htl s THR 19 CO -0.06 -1.37 0.00 -0.38 -0.69 0.00 0.00 174.62 172.12 1htl n ILE 20 N 6.73 0.00 -3.45 1.82 2.08 0.48 -4.95 119.36 122.07 1htl n ILE 20 Ca 0.10 0.45 -0.18 0.00 0.56 0.00 0.00 62.75 63.68 1htl n ILE 20 Cb 0.49 -1.36 0.09 0.00 -0.75 0.00 0.00 39.64 38.11 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 -1.90 -3.03 -3.67 4.38 4.05 -0.53 -4.97 115.26 109.59 1htl n ASN 21 Ca 0.00 -0.59 -0.04 0.00 0.45 0.00 0.00 54.58 54.40 1htl n ASN 21 Cb 0.00 -5.05 -0.01 0.00 1.23 0.00 0.00 39.78 35.95 1htl n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1htl s ASP 22 N -4.11 -0.20 0.23 1.20 2.15 -0.92 -4.97 116.67 110.06 1htl s ASP 22 Ca 0.13 -0.26 -0.06 0.00 0.43 0.00 0.00 52.55 52.79 1htl s ASP 22 Cb -0.06 0.40 -0.06 0.00 -0.30 0.00 0.00 42.92 42.91 1htl s ASP 22 CO 0.72 -0.72 0.50 -1.59 -0.17 0.00 0.00 175.17 173.91 1htl s LYS 23 N -3.09 3.67 0.34 4.34 -2.85 -1.26 -1.59 119.74 119.30 1htl s LYS 23 Ca 0.11 0.04 -0.28 0.00 -1.00 0.00 0.00 55.97 54.83 1htl s LYS 23 Cb -0.00 -2.70 -0.12 0.00 -2.06 0.00 0.00 37.83 32.94 1htl s LYS 23 CO -0.01 0.31 1.30 -0.89 0.10 0.00 0.00 175.35 176.16 1htl n ILE 24 N -0.47 1.97 -0.06 3.79 5.41 -1.26 -4.73 119.36 124.01 1htl n ILE 24 Ca -0.01 -0.49 -0.16 0.00 1.00 0.00 0.00 62.75 63.08 1htl n ILE 24 Cb 0.53 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.74 1htl n ILE 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1htl n LEU 25 N 0.80 2.07 -3.90 1.39 7.94 0.16 -4.96 117.00 120.49 1htl n LEU 25 Ca 0.05 0.09 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 1htl n LEU 25 Cb 0.36 -0.59 -0.09 0.00 0.53 0.00 0.00 43.42 43.62 1htl n LEU 25 CO 0.62 0.76 -0.18 -0.94 -1.11 0.00 0.00 177.39 176.54 1htl s SER 26 N -6.47 0.12 -0.04 1.96 1.04 -1.01 -4.96 113.70 104.34 1htl s SER 26 Ca -0.22 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1htl s SER 26 Cb 0.08 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1htl s SER 26 CO 0.73 -0.49 -0.02 -0.47 0.98 0.00 0.00 173.24 173.97 1htl s TYR 27 N -2.33 0.54 -0.04 5.02 6.14 -1.26 -1.97 117.35 123.45 1htl s TYR 27 Ca -0.07 -0.11 0.04 0.00 0.64 0.00 0.00 57.07 57.57 1htl s TYR 27 Cb -0.03 -0.57 0.00 0.00 0.42 0.00 0.00 41.96 41.78 1htl s TYR 27 CO -0.03 -0.18 -0.14 0.99 0.64 0.00 0.00 175.55 176.82 1htl s THR 28 N 1.11 1.21 -0.02 4.34 2.01 -0.11 -5.02 115.64 119.15 1htl s THR 28 Ca -0.08 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1htl s THR 28 Cb -0.14 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1htl s THR 28 CO -0.01 0.36 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.48 1htl s GLU 29 N 0.16 0.92 -0.07 4.92 2.12 -1.26 -1.63 118.70 123.86 1htl s GLU 29 Ca -0.05 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.00 1htl s GLU 29 Cb -0.11 -0.87 0.01 0.00 0.26 0.00 0.00 34.13 33.42 1htl s GLU 29 CO 0.02 0.12 -0.12 0.45 -0.54 0.00 0.00 175.26 175.19 1htl s SER 30 N 0.15 1.87 -0.16 -1.70 0.15 -0.44 -4.99 113.70 108.57 1htl s SER 30 Ca -0.02 -0.31 0.16 0.00 0.70 0.00 0.00 55.95 56.47 1htl s SER 30 Cb -0.08 -0.85 0.59 0.00 -1.71 0.00 0.00 66.02 63.97 1htl s SER 30 CO 0.00 0.02 1.50 1.15 1.20 0.00 0.00 173.24 177.11 1htl n MET 31 N 3.96 3.46 -2.46 5.44 0.00 -1.26 -1.68 117.12 124.58 1htl n MET 31 Ca -0.22 -2.83 -0.41 0.00 0.00 0.00 0.00 57.70 54.24 1htl n MET 31 Cb 0.51 -1.88 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 1htl n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htl s ALA 32 N -2.49 3.38 0.02 3.17 0.00 -1.26 -4.82 121.76 119.77 1htl s ALA 32 Ca 0.44 0.84 -0.39 0.00 0.00 0.00 0.00 51.96 52.85 1htl s ALA 32 Cb 0.33 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.86 1htl s ALA 32 CO 0.13 -0.33 1.05 0.41 0.00 0.00 0.00 175.76 177.02 1htl n GLY 33 N 2.60 -0.32 3.90 0.00 0.00 -1.26 -0.71 105.19 109.40 1htl n GLY 33 Ca 0.06 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 1.55 0.00 -2.29 1.61 4.76 -1.26 -4.73 118.16 117.79 1htl n LYS 34 Ca 0.20 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1htl n LYS 34 Cb 0.10 -3.27 0.05 0.00 -1.84 0.00 0.00 35.03 30.07 1htl n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1htl n ARG 35 N -2.00 2.10 -2.08 1.97 1.74 0.11 -5.01 116.66 113.49 1htl n ARG 35 Ca 0.00 -3.53 -0.32 0.00 -0.77 0.00 0.00 57.85 53.23 1htl n ARG 35 Cb 0.00 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 1htl n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1htl s GLU 36 N -3.28 2.64 0.31 5.56 8.01 -1.00 -4.34 118.70 126.61 1htl s GLU 36 Ca 0.36 -0.01 -0.04 0.00 0.01 0.00 0.00 54.97 55.28 1htl s GLU 36 Cb 0.36 -4.82 0.02 0.00 -4.31 0.00 0.00 34.13 25.38 1htl s GLU 36 CO -0.03 -3.07 0.48 0.00 0.01 0.00 0.00 175.26 172.65 1htl n MET 37 N 8.99 0.69 -4.06 1.61 0.00 -0.67 -4.50 117.12 119.17 1htl n MET 37 Ca 0.32 -2.30 -0.18 0.00 0.00 0.00 0.00 57.70 55.54 1htl n MET 37 Cb 0.49 2.34 -0.16 0.00 0.00 0.00 0.00 33.22 35.89 1htl n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1htl s VAL 38 N -2.64 0.35 -0.03 3.17 1.01 -1.24 -1.33 120.40 119.69 1htl s VAL 38 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1htl s VAL 38 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1htl s VAL 38 CO 0.16 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 1htl s ILE 39 N 0.82 1.63 0.11 2.22 1.09 -0.65 -0.53 121.20 125.90 1htl s ILE 39 Ca -0.10 -0.86 0.06 0.00 -1.10 0.00 0.00 60.65 58.65 1htl s ILE 39 Cb -0.13 -1.37 -0.04 0.00 -1.06 0.00 0.00 42.46 39.87 1htl s ILE 39 CO -0.01 0.46 -0.14 0.27 -0.10 0.00 0.00 174.94 175.43 1htl s ILE 40 N -0.28 1.27 0.07 2.92 -4.36 -0.26 -0.94 121.20 119.62 1htl s ILE 40 Ca 0.03 -1.65 0.03 0.00 -0.26 0.00 0.00 60.65 58.79 1htl s ILE 40 Cb -0.10 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 1htl s ILE 40 CO 0.01 -0.40 -0.08 0.42 0.24 0.00 0.00 174.94 175.13 1htl s THR 41 N -2.04 0.70 0.23 8.37 -4.23 -0.83 -1.56 115.64 116.27 1htl s THR 41 Ca 0.07 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 1htl s THR 41 Cb -0.05 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 1htl s THR 41 CO 0.03 -0.55 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.03 1htl s PHE 42 N -2.23 1.92 0.22 3.99 0.40 -1.11 0.38 117.98 121.55 1htl s PHE 42 Ca -0.00 -0.48 -0.07 0.00 -0.60 0.00 0.00 56.93 55.77 1htl s PHE 42 Cb -0.04 -0.87 0.35 0.00 0.51 0.00 0.00 43.02 42.97 1htl s PHE 42 CO -0.01 0.48 1.73 -0.22 0.70 0.00 0.00 175.22 177.90 1htl h LYS 43 N 2.53 0.39 -0.62 0.44 1.63 -1.91 -1.09 116.57 117.93 1htl h LYS 43 Ca -0.39 -0.02 0.18 0.00 -0.85 0.00 0.00 60.65 59.57 1htl h LYS 43 Cb 1.23 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1htl h LYS 43 CO 0.60 0.26 0.60 0.66 -3.45 0.00 0.00 179.45 178.12 1htl h SER 44 N 0.40 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 117.36 1htl h SER 44 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1htl h SER 44 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1htl h SER 44 CO -0.36 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.21 1htl n GLY 45 N -1.58 1.73 3.73 -0.77 0.00 -0.41 -5.12 105.19 102.77 1htl n GLY 45 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.44 -0.01 1.61 0.41 -1.26 -4.84 118.70 116.04 1htl s GLU 46 Ca 0.00 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.45 1htl s GLU 46 Cb 0.00 -1.82 0.02 0.00 -1.78 0.00 0.00 34.13 30.54 1htl s GLU 46 CO 0.00 -2.14 0.01 0.99 -0.49 0.00 0.00 175.26 173.64 1htl s THR 47 N -2.93 -0.01 0.17 3.63 2.01 -1.26 -2.74 115.64 114.52 1htl s THR 47 Ca 0.63 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.79 1htl s THR 47 Cb -0.18 -0.07 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1htl s THR 47 CO 0.57 0.06 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.13 1htl s PHE 48 N 0.65 1.33 0.21 4.92 0.08 -0.60 -3.60 117.98 120.96 1htl s PHE 48 Ca -0.05 -0.83 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1htl s PHE 48 Cb -0.08 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1htl s PHE 48 CO -0.02 0.02 0.13 1.14 -0.10 0.00 0.00 175.22 176.39 1htl s GLN 49 N -3.80 1.23 -0.24 0.44 -2.07 -0.97 -1.10 119.66 113.15 1htl s GLN 49 Ca 0.20 -1.65 0.02 0.00 -1.82 0.00 0.00 55.36 52.12 1htl s GLN 49 Cb 0.04 0.21 0.05 0.00 -1.09 0.00 0.00 33.01 32.23 1htl s GLN 49 CO 0.03 -0.39 -0.11 0.08 -1.32 0.00 0.00 175.29 173.58 1htl s VAL 50 N -4.10 2.05 0.96 3.63 1.01 0.31 -2.01 120.40 122.25 1htl s VAL 50 Ca 0.39 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1htl s VAL 50 Cb 0.07 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1htl s VAL 50 CO 0.12 0.05 -0.30 -0.62 0.00 0.00 0.00 175.10 174.35 1htl n GLU 51 N 4.50 -0.10 -2.99 2.72 1.02 -1.26 -3.61 120.64 120.92 1htl n GLU 51 Ca -0.15 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.58 1htl n GLU 51 Cb 0.44 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 1htl n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1htl s VAL 52 N -2.15 4.99 -0.51 2.62 1.01 -1.26 -4.88 120.40 120.22 1htl s VAL 52 Ca 0.47 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 1htl s VAL 52 Cb -0.20 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1htl s VAL 52 CO 0.76 0.25 2.39 -2.84 0.00 0.00 0.00 175.10 175.67 1htl s PRO 53 N 0.73 2.08 0.00 2.72 0.02 -1.26 -4.83 135.00 134.46 1htl s PRO 53 Ca 0.40 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1htl s PRO 53 Cb -0.18 -4.59 0.00 0.00 0.02 0.00 0.00 34.50 29.74 1htl s PRO 53 CO 0.20 -3.33 0.00 0.41 -0.33 0.00 0.00 177.00 173.96 1htl n GLY 54 N 6.03 5.11 2.77 0.52 0.00 -1.26 -5.06 105.19 113.30 1htl n GLY 54 Ca 0.37 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 4.70 -0.49 1.61 7.64 -1.26 -4.13 113.62 121.69 1htl n SER 55 Ca 0.00 -3.61 0.02 0.00 1.01 0.00 0.00 58.87 56.29 1htl n SER 55 Cb 0.00 -0.69 0.03 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.14 0.26 -3.98 1.43 3.00 -1.26 -5.04 117.38 111.94 1htl n GLN 56 Ca 0.32 -1.39 -0.17 0.00 -0.01 0.00 0.00 57.00 55.75 1htl n GLN 56 Cb 0.38 -0.67 -0.16 0.00 0.00 0.00 0.00 30.24 29.79 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 -0.58 0.37 0.41 1.08 3.76 -1.26 -5.15 115.29 113.93 1htl s HIS 57 Ca 0.09 -0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1htl s HIS 57 Cb 0.08 -0.42 -0.05 0.00 1.11 0.00 0.00 32.58 33.30 1htl s HIS 57 CO -0.01 -0.13 0.72 0.96 -0.85 0.00 0.00 174.74 175.44 1htl s ILE 58 N 0.89 4.90 0.44 0.60 -4.36 -1.26 -4.92 121.20 117.50 1htl s ILE 58 Ca -0.09 0.27 0.32 0.00 -0.26 0.00 0.00 60.65 60.88 1htl s ILE 58 Cb -0.13 -3.80 0.50 0.00 1.25 0.00 0.00 42.46 40.29 1htl s ILE 58 CO -0.01 -0.63 1.60 0.44 0.24 0.00 0.00 174.94 176.58 1htl h ASP 59 N 0.86 0.22 1.73 4.36 3.32 -2.01 0.56 116.42 125.45 1htl h ASP 59 Ca -0.47 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1htl h ASP 59 Cb 1.20 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1htl h ASP 59 CO 0.63 -0.21 -0.23 -1.28 -1.72 0.00 0.00 179.24 176.43 1htl h SER 60 N 0.05 0.00 0.91 6.45 0.87 -2.01 -3.17 113.55 116.65 1htl h SER 60 Ca 0.85 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.32 1htl h SER 60 Cb 2.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.67 1htl h SER 60 CO -0.43 0.23 -0.41 -0.61 -0.53 0.00 0.00 176.83 175.08 1htl h GLN 61 N 0.00 0.00 -0.25 2.24 4.15 -0.24 -2.58 115.11 118.43 1htl h GLN 61 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1htl h GLN 61 Cb 1.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1htl h GLN 61 CO 0.03 0.41 0.09 0.87 -1.93 0.00 0.00 178.83 178.30 1htl h LYS 62 N 0.00 0.38 -0.44 1.69 1.79 -1.49 0.15 116.57 118.64 1htl h LYS 62 Ca -0.00 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1htl h LYS 62 Cb 0.98 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1htl h LYS 62 CO 0.05 0.43 0.09 0.87 -1.08 0.00 0.00 179.45 179.81 1htl h LYS 63 N 0.25 0.67 -0.04 3.15 1.57 -1.66 -2.24 116.57 118.27 1htl h LYS 63 Ca 0.08 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1htl h LYS 63 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1htl h LYS 63 CO -0.01 0.63 -0.65 0.00 -0.57 0.00 0.00 179.45 178.85 1htl h ALA 64 N 1.45 0.82 -0.31 3.86 0.00 -1.05 -2.50 119.26 121.53 1htl h ALA 64 Ca 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1htl h ALA 64 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1htl h ALA 64 CO 0.00 0.77 -0.05 0.82 0.00 0.00 0.00 179.25 180.79 1htl h ILE 65 N 0.13 1.27 -0.54 0.00 2.04 -0.14 -2.58 117.51 117.69 1htl h ILE 65 Ca -0.01 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1htl h ILE 65 Cb 1.17 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1htl h ILE 65 CO 0.10 0.34 0.24 -0.33 0.00 0.00 0.00 178.15 178.50 1htl h GLU 66 N 0.36 0.79 -0.69 2.37 4.39 -1.39 -2.62 114.58 117.79 1htl h GLU 66 Ca 0.08 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1htl h GLU 66 Cb 0.53 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 1htl h GLU 66 CO 0.03 0.67 0.39 -0.09 -1.16 0.00 0.00 179.01 178.85 1htl h ARG 67 N 0.73 0.70 -0.53 2.33 2.43 -1.36 -1.59 114.38 117.09 1htl h ARG 67 Ca 0.18 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1htl h ARG 67 Cb 0.15 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1htl h ARG 67 CO -0.02 0.46 0.13 1.98 -1.51 0.00 0.00 179.97 181.01 1htl h MET 68 N 0.72 0.81 0.00 0.20 4.05 -1.21 0.52 114.93 120.02 1htl h MET 68 Ca 0.31 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 1htl h MET 68 Cb 0.18 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1htl h MET 68 CO -0.18 0.73 -0.48 0.87 0.23 0.00 0.00 176.91 178.09 1htl h LYS 69 N 0.78 0.00 0.18 0.39 1.57 -1.02 -0.09 116.57 118.39 1htl h LYS 69 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1htl h LYS 69 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1htl h LYS 69 CO -0.00 0.48 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.83 1htl h ASP 70 N 0.00 -0.21 -0.90 0.86 3.32 -0.49 -1.62 116.42 117.38 1htl h ASP 70 Ca -0.00 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1htl h ASP 70 Cb 0.85 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1htl h ASP 70 CO 0.06 0.12 0.59 0.74 -1.72 0.00 0.00 179.24 179.03 1htl h THR 71 N -0.54 1.22 -0.44 0.35 2.02 -0.69 -1.43 112.91 113.40 1htl h THR 71 Ca -0.02 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 1htl h THR 71 Cb 0.41 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1htl h THR 71 CO 0.04 0.22 -0.11 -0.07 0.37 0.00 0.00 175.52 175.97 1htl h LEU 72 N 1.21 0.86 -0.39 2.58 3.38 -0.96 0.14 115.31 122.14 1htl h LEU 72 Ca 0.33 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1htl h LEU 72 Cb -0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1htl h LEU 72 CO -0.08 1.03 0.24 -0.09 0.09 0.00 0.00 178.44 179.63 1htl h ARG 73 N 0.68 0.52 0.41 1.13 2.43 -1.03 -0.71 114.38 117.82 1htl h ARG 73 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1htl h ARG 73 Cb 0.65 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1htl h ARG 73 CO 0.04 0.38 -0.23 0.82 -1.51 0.00 0.00 179.97 179.48 1htl h ILE 74 N 0.51 0.53 -0.92 1.20 2.04 -1.15 -0.10 117.51 119.62 1htl h ILE 74 Ca 0.14 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 1htl h ILE 74 Cb -0.01 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 1htl h ILE 74 CO -0.03 0.00 0.59 0.71 0.00 0.00 0.00 178.15 179.42 1htl h THR 75 N -0.60 0.91 0.39 -0.27 1.35 -0.56 -0.91 112.91 113.22 1htl h THR 75 Ca -0.05 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1htl h THR 75 Cb 0.48 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1htl h THR 75 CO 0.06 0.16 -0.19 0.22 -0.25 0.00 0.00 175.52 175.52 1htl h TYR 76 N 0.85 -0.49 -0.97 4.73 3.20 -0.95 -0.24 116.97 123.11 1htl h TYR 76 Ca 0.44 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.58 1htl h TYR 76 Cb 0.53 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1htl h TYR 76 CO -0.00 -0.30 0.82 -0.07 -1.64 0.00 0.00 178.16 176.97 1htl h LEU 77 N -1.07 0.00 -1.04 2.82 3.38 -0.76 -0.42 115.31 118.21 1htl h LEU 77 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1htl h LEU 77 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1htl h LEU 77 CO 0.09 0.00 -0.25 0.35 0.09 0.00 0.00 178.44 178.72 1htl n THR 78 N -3.87 0.00 -2.89 0.22 -2.24 -0.37 -4.99 114.28 100.14 1htl n THR 78 Ca 0.21 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1htl n THR 78 Cb 1.14 1.22 0.03 0.00 -2.10 0.00 0.00 70.33 70.62 1htl n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1htl n GLU 79 N 0.10 -4.11 -2.38 -0.78 1.02 -0.17 -4.96 120.64 109.36 1htl n GLU 79 Ca 0.07 0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 57.60 1htl n GLU 79 Cb 0.35 -5.38 -0.04 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.08 3.32 -0.16 2.62 2.01 -0.53 -4.85 115.64 114.97 1htl s THR 80 Ca 0.25 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 63.31 1htl s THR 80 Cb -0.11 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1htl s THR 80 CO 0.31 0.30 0.82 -0.54 -0.69 0.00 0.00 174.62 174.82 1htl s LYS 81 N -1.41 4.30 0.32 4.92 1.02 -1.26 -4.39 119.74 123.24 1htl s LYS 81 Ca 0.46 1.00 -0.13 0.00 0.02 0.00 0.00 55.97 57.32 1htl s LYS 81 Cb -0.34 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.33 1htl s LYS 81 CO 0.43 -0.30 0.69 0.42 -0.92 0.00 0.00 175.35 175.68 1htl s ILE 82 N 2.04 4.76 -0.16 2.17 1.01 -0.62 -4.41 121.20 126.00 1htl s ILE 82 Ca 0.38 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.62 1htl s ILE 82 Cb -0.17 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1htl s ILE 82 CO 0.13 -0.22 -0.32 -0.67 0.00 0.00 0.00 174.94 173.86 1htl n ASP 83 N -0.49 1.87 -3.89 3.58 2.03 0.84 -1.57 116.55 118.92 1htl n ASP 83 Ca 0.03 0.31 -0.11 0.00 0.52 0.00 0.00 54.79 55.54 1htl n ASP 83 Cb 0.53 -0.71 -0.10 0.00 -0.72 0.00 0.00 41.12 40.12 1htl n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1htl s LYS 84 N -2.82 0.46 0.09 -0.67 1.02 -1.19 -0.39 119.74 116.24 1htl s LYS 84 Ca -0.27 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 55.37 1htl s LYS 84 Cb 0.04 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1htl s LYS 84 CO 0.40 -0.10 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.99 1htl s LEU 85 N -1.40 2.26 -0.17 3.17 1.43 -0.29 -2.09 118.68 121.59 1htl s LEU 85 Ca -0.15 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1htl s LEU 85 Cb -0.08 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1htl s LEU 85 CO 0.01 0.12 -0.19 0.00 0.23 0.00 0.00 176.35 176.52 1htl s VAL 87 N 1.12 1.01 -0.52 0.00 -7.23 -0.86 0.01 120.40 113.93 1htl s VAL 87 Ca 0.00 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 1htl s VAL 87 Cb -0.14 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.52 1htl s VAL 87 CO -0.07 -0.48 0.93 0.26 -0.31 0.00 0.00 175.10 175.42 1htl s TRP 88 N -2.17 2.84 -1.88 2.82 0.51 0.62 -0.68 118.94 121.00 1htl s TRP 88 Ca 0.04 0.11 0.00 0.00 -2.12 0.00 0.00 56.10 54.13 1htl s TRP 88 Cb -0.05 -4.02 0.00 0.00 -0.81 0.00 0.00 33.47 28.60 1htl s TRP 88 CO 0.01 -1.26 0.88 0.27 -0.51 0.00 0.00 176.95 176.34 1htl n ASN 89 N 7.33 0.11 -2.24 2.95 0.23 -0.51 -2.50 115.26 120.62 1htl n ASN 89 Ca 0.03 -1.87 -0.31 0.00 -0.53 0.00 0.00 54.58 51.90 1htl n ASN 89 Cb 0.48 -0.06 0.10 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.44 6.46 -3.90 0.53 2.04 -1.26 -4.91 115.26 113.79 1htl n ASN 90 Ca 0.00 -3.75 -0.09 0.00 -0.44 0.00 0.00 54.58 50.30 1htl n ASN 90 Cb 0.03 -0.89 -0.07 0.00 -2.53 0.00 0.00 39.78 36.32 1htl n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1htl s LYS 91 N -3.68 1.07 -0.09 -3.83 -0.14 -1.25 -5.06 119.74 106.76 1htl s LYS 91 Ca 0.62 -1.07 -0.03 0.00 -1.36 0.00 0.00 55.97 54.13 1htl s LYS 91 Cb 0.49 0.38 0.04 0.00 -1.68 0.00 0.00 37.83 37.07 1htl s LYS 91 CO 0.02 -0.38 0.08 0.99 -0.76 0.00 0.00 175.35 175.30 1htl s THR 92 N -3.92 -0.12 1.00 2.17 2.01 -1.26 -3.31 115.64 112.21 1htl s THR 92 Ca 0.12 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1htl s THR 92 Cb 0.03 -0.32 0.19 0.00 0.01 0.00 0.00 72.50 72.41 1htl s THR 92 CO -0.04 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.81 1htl s PRO 93 N 2.17 0.42 0.49 4.92 0.04 -1.26 -5.07 135.00 136.71 1htl s PRO 93 Ca 0.04 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.65 1htl s PRO 93 Cb -0.14 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1htl s PRO 93 CO -0.06 -2.81 0.89 0.09 0.04 0.00 0.00 177.00 175.16 1htl n ASN 94 N -4.27 0.62 -4.76 6.66 5.03 -1.21 -4.61 115.26 112.72 1htl n ASN 94 Ca 0.06 0.92 -0.36 0.00 0.87 0.00 0.00 54.58 56.07 1htl n ASN 94 Cb 0.55 -1.32 -0.08 0.00 -1.02 0.00 0.00 39.78 37.92 1htl n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1htl s SER 95 N -0.95 6.12 0.06 6.41 0.15 -1.04 -2.29 113.70 122.15 1htl s SER 95 Ca 0.67 0.28 -0.31 0.00 0.70 0.00 0.00 55.95 57.29 1htl s SER 95 Cb -0.51 -2.03 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1htl s SER 95 CO 0.54 0.26 1.26 -0.63 1.20 0.00 0.00 173.24 175.88 1htl s ILE 96 N -0.16 3.85 -0.16 6.45 1.01 -0.85 -0.28 121.20 131.07 1htl s ILE 96 Ca 0.10 1.31 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 1htl s ILE 96 Cb -0.12 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1htl s ILE 96 CO 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 174.94 174.82 1htl n ALA 97 N 4.18 1.97 -2.22 9.38 0.00 0.10 -4.90 120.51 129.02 1htl n ALA 97 Ca 0.10 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 1htl n ALA 97 Cb 0.45 0.29 -0.10 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.30 1.35 -0.03 0.00 0.00 -1.03 -4.99 121.76 114.77 1htl s ALA 98 Ca -0.22 -1.79 -0.24 0.00 0.00 0.00 0.00 51.96 49.71 1htl s ALA 98 Cb 0.08 1.41 0.05 0.00 0.00 0.00 0.00 23.12 24.66 1htl s ALA 98 CO 0.28 -0.61 0.52 -1.50 0.00 0.00 0.00 175.76 174.45 1htl s ILE 99 N -3.98 0.03 -0.01 0.00 2.07 -1.26 -2.50 121.20 115.55 1htl s ILE 99 Ca 0.39 -0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.37 1htl s ILE 99 Cb 0.06 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.81 1htl s ILE 99 CO 0.16 -0.12 0.10 -0.94 -1.91 0.00 0.00 174.94 172.23 1htl s SER 100 N -1.30 0.03 0.02 4.50 1.04 -0.89 -5.00 113.70 112.10 1htl s SER 100 Ca -0.12 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1htl s SER 100 Cb -0.02 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1htl s SER 100 CO 0.07 -0.27 -0.06 -0.04 0.98 0.00 0.00 173.24 173.92 1htl s MET 101 N -1.03 0.44 -0.02 4.02 1.00 -1.26 -0.11 119.30 122.33 1htl s MET 101 Ca -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 55.69 55.20 1htl s MET 101 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 34.83 34.44 1htl s MET 101 CO 0.01 0.07 -0.12 0.15 0.00 0.00 0.00 175.02 175.13 1htl s LYS 102 N -0.74 1.18 0.00 2.03 1.02 -1.26 -4.93 119.74 117.04 1htl s LYS 102 Ca -0.04 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1htl s LYS 102 Cb -0.05 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 1htl s LYS 102 CO 0.00 0.20 0.37 -1.71 -0.92 0.00 0.00 175.35 173.29