#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdp n HIS -4 N 0.00 0.00 -2.63 1.43 -0.00 -1.26 -4.87 115.22 107.90 3hdp n HIS -4 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3hdp n HIS -4 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 3hdp n HIS -4 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3hdp n MET -3 N -2.00 1.89 -5.04 -1.40 2.81 -1.26 -5.07 117.12 107.05 3hdp n MET -3 Ca 0.00 -3.60 -0.32 0.00 -1.81 0.00 0.00 57.70 51.97 3hdp n MET -3 Cb 0.00 -1.60 -0.15 0.00 -0.71 0.00 0.00 33.22 30.76 3hdp n MET -3 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hdp s SER -2 N -3.43 3.57 0.44 7.83 1.04 -1.26 -5.11 113.70 116.78 3hdp s SER -2 Ca 0.32 -0.38 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 3hdp s SER -2 Cb 0.41 -1.08 -0.08 0.00 0.10 0.00 0.00 66.02 65.36 3hdp s SER -2 CO -0.02 0.24 1.11 -0.76 0.98 0.00 0.00 173.24 174.80 3hdp s LEU -1 N -0.14 4.04 0.02 2.42 1.43 -1.26 -5.03 118.68 120.16 3hdp s LEU -1 Ca -0.03 2.17 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 3hdp s LEU -1 Cb -0.14 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 3hdp s LEU -1 CO 0.04 -0.75 0.44 -0.54 0.23 0.00 0.00 176.35 175.77 3hdp s LYS 2 N -2.67 3.97 0.16 1.70 -0.14 -1.26 -4.94 119.74 116.56 3hdp s LYS 2 Ca 0.62 0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 55.40 3hdp s LYS 2 Cb -0.25 -3.22 -0.07 0.00 -1.68 0.00 0.00 37.83 32.61 3hdp s LYS 2 CO 0.31 0.68 0.96 0.08 -0.76 0.00 0.00 175.35 176.62 3hdp s VAL 3 N -1.10 4.32 -0.26 3.17 1.01 -1.26 -0.78 120.40 125.50 3hdp s VAL 3 Ca 0.25 2.05 -0.01 0.00 0.00 0.00 0.00 61.98 64.27 3hdp s VAL 3 Cb -0.17 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.74 3hdp s VAL 3 CO 0.15 0.37 -0.25 1.57 0.00 0.00 0.00 175.10 176.94 3hdp n HIS 4 N 2.33 0.01 -3.69 5.22 -0.00 0.50 -4.84 115.22 114.74 3hdp n HIS 4 Ca 0.01 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.15 3hdp n HIS 4 Cb 0.48 -1.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.34 3hdp n HIS 4 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 3hdp s HIS 5 N -2.52 -0.18 -0.25 1.57 -3.43 -1.19 -4.63 115.29 104.68 3hdp s HIS 5 Ca -0.36 -0.08 -0.07 0.00 -0.80 0.00 0.00 55.06 53.76 3hdp s HIS 5 Cb 0.10 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.83 3hdp s HIS 5 CO 0.58 -0.72 0.06 0.42 -2.00 0.00 0.00 174.74 173.07 3hdp s ILE 6 N -3.19 4.19 0.13 -5.38 -1.09 -0.58 -0.44 121.20 114.83 3hdp s ILE 6 Ca 0.11 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 3hdp s ILE 6 Cb -0.01 -2.96 -0.07 0.00 -1.58 0.00 0.00 42.46 37.85 3hdp s ILE 6 CO -0.01 0.35 1.15 -0.83 -1.23 0.00 0.00 174.94 174.37 3hdp s GLY 7 N 1.60 2.66 -0.22 6.18 0.00 0.43 -0.98 107.32 117.00 3hdp s GLY 7 Ca 0.06 0.84 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 3hdp s GLY 7 CO 0.03 1.84 0.04 -0.47 0.00 0.00 0.00 173.10 174.53 3hdp s TYR 8 N 0.34 1.27 -0.12 1.90 5.04 0.97 -0.33 117.35 126.41 3hdp s TYR 8 Ca 0.54 -1.09 -0.28 0.00 -2.44 0.00 0.00 57.07 53.79 3hdp s TYR 8 Cb -0.30 -1.19 -0.01 0.00 0.35 0.00 0.00 41.96 40.82 3hdp s TYR 8 CO 0.33 -0.67 0.95 0.00 -1.34 0.00 0.00 175.55 174.82 3hdp s ALA 9 N 1.77 3.44 0.24 3.97 0.00 -0.04 -0.75 121.76 130.40 3hdp s ALA 9 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.31 3hdp s ALA 9 Cb -0.17 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3hdp s ALA 9 CO -0.11 -0.62 -0.10 0.14 0.00 0.00 0.00 175.76 175.08 3hdp s VAL 10 N 2.05 1.62 -0.06 0.00 -7.23 -0.40 -0.45 120.40 115.92 3hdp s VAL 10 Ca 0.45 -2.16 0.13 0.00 -1.81 0.00 0.00 61.98 58.60 3hdp s VAL 10 Cb -0.18 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 3hdp s VAL 10 CO 0.16 -0.45 1.16 0.07 -0.31 0.00 0.00 175.10 175.73 3hdp h LYS 11 N 2.44 0.00 -2.44 4.82 2.10 -1.95 -3.37 116.57 118.17 3hdp h LYS 11 Ca -0.39 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.19 3hdp h LYS 11 Cb 1.23 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.30 3hdp h LYS 11 CO 0.64 0.58 -0.30 1.21 -2.00 0.00 0.00 179.45 179.58 3hdp s ASN 12 N -6.32 -0.46 0.16 7.07 3.84 -1.26 -4.51 114.94 113.46 3hdp s ASN 12 Ca 0.01 1.08 -0.19 0.00 0.21 0.00 0.00 52.86 53.97 3hdp s ASN 12 Cb 0.08 1.36 0.06 0.00 -0.55 0.00 0.00 41.25 42.21 3hdp s ASN 12 CO 0.79 -0.22 1.67 0.40 -2.79 0.00 0.00 177.10 176.94 3hdp h ILE 13 N 5.95 0.59 0.10 -5.21 1.08 -1.95 0.26 117.51 118.34 3hdp h ILE 13 Ca -0.21 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3hdp h ILE 13 Cb 1.13 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3hdp h ILE 13 CO 0.15 0.00 -0.05 0.44 -0.69 0.00 0.00 178.15 178.01 3hdp h ASP 14 N -0.05 -0.11 -0.85 1.72 3.32 -1.98 0.49 116.42 118.96 3hdp h ASP 14 Ca 0.17 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hdp h ASP 14 Cb 0.30 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3hdp h ASP 14 CO -0.37 -0.08 0.56 -1.28 -1.72 0.00 0.00 179.24 176.35 3hdp h SER 15 N -0.13 0.96 -0.02 6.45 0.87 -1.93 -2.53 113.55 117.21 3hdp h SER 15 Ca -0.01 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3hdp h SER 15 Cb 0.10 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3hdp h SER 15 CO 0.02 0.69 -0.06 0.00 -0.53 0.00 0.00 176.83 176.95 3hdp h ALA 16 N 1.32 0.04 -1.00 6.23 0.00 -0.15 -3.22 119.26 122.48 3hdp h ALA 16 Ca 0.32 -0.32 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3hdp h ALA 16 Cb -0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 3hdp h ALA 16 CO -0.08 -0.12 0.63 1.25 0.00 0.00 0.00 179.25 180.93 3hdp h LEU 17 N -0.49 0.60 0.11 0.00 5.85 0.09 -0.22 115.31 121.25 3hdp h LEU 17 Ca -0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hdp h LEU 17 Cb 0.66 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3hdp h LEU 17 CO 0.01 0.17 -0.05 0.50 -0.34 0.00 0.00 178.44 178.74 3hdp h LYS 18 N 0.56 -0.14 -0.61 1.25 3.64 -1.46 -1.23 116.57 118.58 3hdp h LYS 18 Ca 0.57 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3hdp h LYS 18 Cb 1.18 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3hdp h LYS 18 CO -0.33 -0.09 0.36 0.87 -2.27 0.00 0.00 179.45 177.99 3hdp h LYS 19 N -0.15 0.83 -0.55 1.90 1.79 -1.09 -2.15 116.57 117.16 3hdp h LYS 19 Ca -0.01 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 3hdp h LYS 19 Cb 0.11 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3hdp h LYS 19 CO 0.02 0.60 0.03 0.74 -1.08 0.00 0.00 179.45 179.76 3hdp h PHE 20 N 0.83 1.02 -0.27 -1.35 0.04 -1.18 -1.97 116.94 114.05 3hdp h PHE 20 Ca 0.22 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hdp h PHE 20 Cb -0.01 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3hdp h PHE 20 CO -0.02 0.93 0.18 0.87 -0.60 0.00 0.00 178.31 179.66 3hdp h LYS 21 N 0.83 0.36 -0.67 1.51 1.57 -1.11 -0.72 116.57 118.34 3hdp h LYS 21 Ca 0.16 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 3hdp h LYS 21 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3hdp h LYS 21 CO 0.02 0.25 0.46 -0.09 -0.57 0.00 0.00 179.45 179.52 3hdp h ARG 22 N 0.36 0.26 -0.00 3.15 9.65 -1.21 0.25 114.38 126.84 3hdp h ARG 22 Ca 0.10 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3hdp h ARG 22 Cb -0.03 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 3hdp h ARG 22 CO -0.02 0.17 -0.02 1.28 2.80 0.00 0.00 179.97 184.18 3hdp n LEU 23 N -4.44 0.06 0.00 3.80 4.77 -0.53 -4.89 117.00 115.77 3hdp n LEU 23 Ca 0.12 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hdp n LEU 23 Cb 0.55 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3hdp n LEU 23 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3hdp n GLY 24 N 1.30 1.22 3.89 -0.72 0.00 0.87 -5.08 105.19 106.67 3hdp n GLY 24 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hdp n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hdp s TYR 25 N -2.00 3.50 0.01 1.61 2.02 -0.39 -4.64 117.35 117.46 3hdp s TYR 25 Ca 0.00 0.94 0.05 0.00 -0.37 0.00 0.00 57.07 57.69 3hdp s TYR 25 Cb 0.00 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 3hdp s TYR 25 CO 0.00 -0.13 -0.16 0.08 -1.57 0.00 0.00 175.55 173.77 3hdp s VAL 26 N -2.46 1.23 0.20 0.71 1.01 0.15 -4.21 120.40 117.03 3hdp s VAL 26 Ca 0.49 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3hdp s VAL 26 Cb -0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 35.12 3hdp s VAL 26 CO 0.35 0.24 1.62 -1.61 0.00 0.00 0.00 175.10 175.70 3hdp s GLU 27 N -0.64 4.18 -0.15 2.72 2.02 -1.26 -0.72 118.70 124.85 3hdp s GLU 27 Ca 0.05 2.47 0.14 0.00 0.02 0.00 0.00 54.97 57.65 3hdp s GLU 27 Cb -0.07 -3.11 -0.20 0.00 0.10 0.00 0.00 34.13 30.86 3hdp s GLU 27 CO 0.00 -0.65 0.07 -1.91 0.02 0.00 0.00 175.26 172.79 3hdp n GLU 28 N 3.68 1.40 -4.23 1.61 2.13 -0.27 -4.88 120.64 120.09 3hdp n GLU 28 Ca 0.14 -0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.77 3hdp n GLU 28 Cb 0.37 -1.40 -0.08 0.00 0.27 0.00 0.00 31.44 30.61 3hdp n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3hdp s SER 29 N -4.87 1.26 0.24 4.31 1.04 -1.20 -5.01 113.70 109.46 3hdp s SER 29 Ca -0.08 -1.63 -0.12 0.00 0.48 0.00 0.00 55.95 54.60 3hdp s SER 29 Cb 0.05 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 3hdp s SER 29 CO 0.64 -1.08 0.60 -0.70 0.98 0.00 0.00 173.24 173.68 3hdp s GLU 30 N -3.49 3.89 0.58 4.02 2.12 -1.26 -4.62 118.70 119.94 3hdp s GLU 30 Ca 0.38 0.41 -0.20 0.00 0.36 0.00 0.00 54.97 55.93 3hdp s GLU 30 Cb 0.02 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 3hdp s GLU 30 CO 0.23 0.30 1.24 0.54 -0.54 0.00 0.00 175.26 177.04 3hdp s VAL 31 N -1.80 2.49 -0.01 3.70 0.11 -1.26 -4.76 120.40 118.86 3hdp s VAL 31 Ca 0.47 0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 3hdp s VAL 31 Cb -0.12 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 3hdp s VAL 31 CO 0.20 -0.05 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.16 3hdp s VAL 32 N -1.50 0.57 -0.44 2.04 1.01 0.80 -4.95 120.40 117.93 3hdp s VAL 32 Ca 0.76 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 3hdp s VAL 32 Cb -0.33 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.59 3hdp s VAL 32 CO 0.37 0.17 0.47 -0.60 0.00 0.00 0.00 175.10 175.50 3hdp s ARG 33 N -0.05 3.10 -0.82 2.72 3.52 -1.26 0.20 118.95 126.35 3hdp s ARG 33 Ca 0.01 -0.81 -0.19 0.00 -0.13 0.00 0.00 55.73 54.61 3hdp s ARG 33 Cb -0.04 -4.00 0.12 0.00 -1.56 0.00 0.00 34.95 29.47 3hdp s ARG 33 CO -0.00 -0.92 1.02 0.34 -0.81 0.00 0.00 175.30 174.93 3hdp s ASP 34 N 1.98 6.47 0.38 -2.12 -1.08 0.85 -4.89 116.67 118.26 3hdp s ASP 34 Ca 0.12 -1.74 0.07 0.00 -0.52 0.00 0.00 52.55 50.49 3hdp s ASP 34 Cb -0.18 -2.38 0.81 0.00 -1.46 0.00 0.00 42.92 39.71 3hdp s ASP 34 CO 0.13 -1.14 1.98 -0.33 0.52 0.00 0.00 175.17 176.33 3hdp h GLU 35 N 9.01 0.64 -0.16 4.34 5.08 -1.95 0.19 114.58 131.73 3hdp h GLU 35 Ca -0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3hdp h GLU 35 Cb 1.04 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3hdp h GLU 35 CO 1.11 0.43 -0.13 0.28 -1.00 0.00 0.00 179.01 179.70 3hdp h VAL 36 N 0.66 1.33 -0.00 3.13 2.07 -1.95 -2.84 116.25 118.65 3hdp h VAL 36 Ca 0.28 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3hdp h VAL 36 Cb 0.25 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3hdp h VAL 36 CO -0.09 0.37 -0.06 0.54 0.02 0.00 0.00 177.57 178.35 3hdp n ARG 37 N -4.57 0.78 -3.86 1.57 1.74 -1.10 -4.94 116.66 106.29 3hdp n ARG 37 Ca -0.06 -0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 56.49 3hdp n ARG 37 Cb 0.35 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3hdp n ARG 37 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3hdp n LYS 38 N -0.93 -1.57 -3.87 5.56 2.85 0.60 -4.65 118.16 116.14 3hdp n LYS 38 Ca 0.17 0.35 -0.09 0.00 -1.05 0.00 0.00 58.31 57.69 3hdp n LYS 38 Cb 0.25 -3.89 -0.07 0.00 -0.65 0.00 0.00 35.03 30.66 3hdp n LYS 38 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hdp s VAL 39 N -3.65 0.12 -0.05 0.58 -7.23 -0.87 -2.09 120.40 107.20 3hdp s VAL 39 Ca 0.33 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3hdp s VAL 39 Cb -0.14 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3hdp s VAL 39 CO 0.90 -0.54 0.04 -0.31 -0.31 0.00 0.00 175.10 174.88 3hdp s TYR 40 N -3.89 3.24 -0.02 2.82 2.02 0.11 -0.10 117.35 121.54 3hdp s TYR 40 Ca 0.08 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 3hdp s TYR 40 Cb 0.04 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3hdp s TYR 40 CO -0.08 0.53 -0.06 0.42 -1.57 0.00 0.00 175.55 174.79 3hdp s ILE 41 N -1.02 0.52 -0.11 2.71 1.01 0.13 -1.10 121.20 123.34 3hdp s ILE 41 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 3hdp s ILE 41 Cb -0.12 -0.48 0.04 0.00 0.01 0.00 0.00 42.46 41.92 3hdp s ILE 41 CO 0.07 0.17 0.27 -1.58 0.00 0.00 0.00 174.94 173.87 3hdp s GLN 42 N 0.23 0.25 -0.11 2.79 0.74 -0.79 -0.14 119.66 122.63 3hdp s GLN 42 Ca -0.03 0.50 -0.12 0.00 0.05 0.00 0.00 55.36 55.76 3hdp s GLN 42 Cb -0.07 -0.03 -0.05 0.00 1.10 0.00 0.00 33.01 33.97 3hdp s GLN 42 CO -0.00 -0.12 0.28 -0.06 -0.55 0.00 0.00 175.29 174.84 3hdp s PHE 43 N 0.91 3.56 0.15 1.67 0.08 -1.26 -0.68 117.98 122.41 3hdp s PHE 43 Ca -0.06 0.68 0.07 0.00 0.12 0.00 0.00 56.93 57.74 3hdp s PHE 43 Cb -0.07 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 3hdp s PHE 43 CO -0.06 0.46 -0.15 0.14 -0.10 0.00 0.00 175.22 175.52 3hdp s VAL 44 N -0.30 1.52 0.02 -0.44 -7.23 -0.01 -1.11 120.40 112.85 3hdp s VAL 44 Ca 0.18 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 3hdp s VAL 44 Cb -0.14 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 3hdp s VAL 44 CO 0.06 -0.47 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.72 3hdp s ILE 45 N -2.42 0.19 -0.28 -0.62 1.01 0.11 0.18 121.20 119.37 3hdp s ILE 45 Ca 0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3hdp s ILE 45 Cb -0.03 -0.26 0.11 0.00 0.01 0.00 0.00 42.46 42.29 3hdp s ILE 45 CO 0.04 -0.27 0.21 0.21 0.00 0.00 0.00 174.94 175.14 3hdp s ASN 46 N -0.91 2.48 1.57 3.58 3.84 0.27 0.32 114.94 126.09 3hdp s ASN 46 Ca -0.08 -0.93 0.00 0.00 0.21 0.00 0.00 52.86 52.06 3hdp s ASN 46 Cb -0.06 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.73 3hdp s ASN 46 CO -0.00 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 3hdp n GLY 47 N 5.28 2.36 0.89 1.21 0.00 -1.26 -1.39 105.19 112.28 3hdp n GLY 47 Ca -0.04 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.72 3hdp n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdp n GLY 48 N 0.00 1.26 3.43 -0.02 0.00 -1.26 -4.84 105.19 103.76 3hdp n GLY 48 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3hdp n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hdp s TYR 49 N -1.52 3.24 -0.20 1.61 2.02 -0.48 -5.07 117.35 116.94 3hdp s TYR 49 Ca 0.30 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 3hdp s TYR 49 Cb 0.17 -2.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 3hdp s TYR 49 CO 0.18 -0.61 0.17 0.50 -1.57 0.00 0.00 175.55 174.22 3hdp s ARG 50 N 1.63 4.17 -0.09 -0.62 3.52 -1.26 -0.56 118.95 125.75 3hdp s ARG 50 Ca 0.04 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 3hdp s ARG 50 Cb -0.19 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3hdp s ARG 50 CO 0.09 0.22 -0.17 0.08 -0.81 0.00 0.00 175.30 174.71 3hdp s VAL 51 N 0.57 2.71 -0.41 7.11 1.01 0.13 -1.53 120.40 129.99 3hdp s VAL 51 Ca 0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 3hdp s VAL 51 Cb -0.12 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3hdp s VAL 51 CO 0.01 0.56 0.27 -0.70 0.00 0.00 0.00 175.10 175.24 3hdp s GLU 52 N -0.10 2.86 -0.21 2.72 2.12 -0.15 -0.83 118.70 125.11 3hdp s GLU 52 Ca -0.03 -1.15 -0.26 0.00 0.36 0.00 0.00 54.97 53.89 3hdp s GLU 52 Cb -0.14 -3.87 -0.01 0.00 0.26 0.00 0.00 34.13 30.37 3hdp s GLU 52 CO 0.04 -0.80 0.87 -0.51 -0.54 0.00 0.00 175.26 174.32 3hdp s LEU 53 N 1.59 4.12 -0.21 2.70 1.43 0.14 -0.02 118.68 128.43 3hdp s LEU 53 Ca 0.03 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 3hdp s LEU 53 Cb -0.20 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.79 3hdp s LEU 53 CO 0.07 -0.50 -0.15 -0.69 0.23 0.00 0.00 176.35 175.31 3hdp s VAL 54 N 2.65 2.02 0.07 -1.59 1.01 0.07 -1.89 120.40 122.75 3hdp s VAL 54 Ca 0.38 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3hdp s VAL 54 Cb -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3hdp s VAL 54 CO 0.09 0.28 -0.21 0.00 0.00 0.00 0.00 175.10 175.27 3hdp s ALA 55 N 1.25 2.52 0.54 5.51 0.00 -0.25 -1.27 121.76 130.05 3hdp s ALA 55 Ca -0.01 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.46 3hdp s ALA 55 Cb -0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3hdp s ALA 55 CO -0.09 0.57 1.34 -1.25 0.00 0.00 0.00 175.76 176.32 3hdp s PRO 56 N -1.62 3.17 0.00 0.00 0.04 -1.26 0.08 135.00 135.41 3hdp s PRO 56 Ca 0.15 2.18 0.15 0.00 0.04 0.00 0.00 61.00 63.51 3hdp s PRO 56 Cb -0.10 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3hdp s PRO 56 CO 0.06 -1.15 0.85 -3.47 0.04 0.00 0.00 177.00 173.33 3hdp n ASP 57 N -1.03 1.74 -3.60 6.66 2.03 -0.89 -4.60 116.55 116.86 3hdp n ASP 57 Ca 0.10 -1.37 -0.05 0.00 0.52 0.00 0.00 54.79 54.00 3hdp n ASP 57 Cb 0.45 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 41.15 3hdp n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hdp s GLY 58 N -1.59 -0.19 0.65 0.27 0.00 -1.26 -4.98 107.32 100.22 3hdp s GLY 58 Ca 0.14 2.01 0.29 0.00 0.00 0.00 0.00 44.72 47.16 3hdp s GLY 58 CO 0.31 0.78 1.89 0.83 0.00 0.00 0.00 173.10 176.91 3hdp h GLU 59 N 2.12 0.00 -0.00 2.90 4.39 -1.98 0.39 114.58 122.40 3hdp h GLU 59 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3hdp h GLU 59 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3hdp h GLU 59 CO 0.24 0.00 -0.37 -0.40 -1.16 0.00 0.00 179.01 177.33 3hdp n ASP 60 N -3.10 0.77 -4.70 1.42 5.75 -1.26 -4.93 116.55 110.49 3hdp n ASP 60 Ca 0.01 -0.58 -0.44 0.00 -0.01 0.00 0.00 54.79 53.77 3hdp n ASP 60 Cb 0.47 0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 3hdp n ASP 60 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3hdp n SER 61 N -1.05 3.43 0.30 -1.12 2.88 0.14 -4.87 113.62 113.33 3hdp n SER 61 Ca 0.09 1.11 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 3hdp n SER 61 Cb 0.34 -1.51 0.99 0.00 -0.75 0.00 0.00 64.21 63.28 3hdp n SER 61 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hdp h PRO 62 N 5.40 0.00 0.00 -1.46 0.11 -1.85 -2.00 132.00 132.20 3hdp h PRO 62 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hdp h PRO 62 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hdp h PRO 62 CO 0.85 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 180.15 3hdp n ILE 63 N -3.65 0.80 -0.14 4.15 0.13 -1.26 -3.08 119.36 116.30 3hdp n ILE 63 Ca -0.03 0.18 0.05 0.00 -1.10 0.00 0.00 62.75 61.85 3hdp n ILE 63 Cb 0.10 -1.12 0.36 0.00 -0.84 0.00 0.00 39.64 38.13 3hdp n ILE 63 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 3hdp h ASN 64 N 0.00 0.64 -0.16 9.51 2.35 -1.71 -1.50 115.58 124.70 3hdp h ASN 64 Ca 0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3hdp h ASN 64 Cb 0.41 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3hdp h ASN 64 CO 0.00 0.44 -0.27 0.11 -1.65 0.00 0.00 177.43 176.06 3hdp h LYS 65 N 0.74 0.63 -0.33 0.81 1.57 -1.77 -2.87 116.57 115.36 3hdp h LYS 65 Ca 0.26 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3hdp h LYS 65 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hdp h LYS 65 CO -0.08 0.84 -0.06 1.15 -0.57 0.00 0.00 179.45 180.73 3hdp h THR 66 N 0.55 1.22 -0.59 -0.16 2.02 -1.45 -2.87 112.91 111.62 3hdp h THR 66 Ca 0.07 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3hdp h THR 66 Cb 0.75 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3hdp h THR 66 CO 0.06 0.31 0.00 2.30 0.37 0.00 0.00 175.52 178.56 3hdp n ILE 67 N -4.24 2.51 -0.17 3.11 -5.35 -1.02 -4.57 119.36 109.63 3hdp n ILE 67 Ca 0.01 -1.37 -0.02 0.00 -0.27 0.00 0.00 62.75 61.11 3hdp n ILE 67 Cb 0.29 -0.16 0.08 0.00 -1.74 0.00 0.00 39.64 38.10 3hdp n ILE 67 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hdp h LYS 68 N 3.99 0.29 -0.79 6.28 3.64 -1.28 -0.04 116.57 128.65 3hdp h LYS 68 Ca 0.00 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3hdp h LYS 68 Cb 1.83 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.51 3hdp h LYS 68 CO 0.42 0.19 0.16 1.63 -2.27 0.00 0.00 179.45 179.58 3hdp n LYS 69 N -5.07 3.23 0.00 1.90 5.02 -1.26 -5.01 118.16 116.97 3hdp n LYS 69 Ca 0.06 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 3hdp n LYS 69 Cb 0.25 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3hdp n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hdp n GLY 70 N 0.07 2.25 3.75 0.72 0.00 -0.03 -5.03 105.19 106.93 3hdp n GLY 70 Ca 0.28 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 3hdp n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hdp s SER 71 N 0.00 5.31 -0.19 1.61 0.01 -1.26 -4.36 113.70 114.82 3hdp s SER 71 Ca 0.00 2.63 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 3hdp s SER 71 Cb 0.00 -2.62 0.14 0.00 0.21 0.00 0.00 66.02 63.75 3hdp s SER 71 CO 0.00 -1.53 1.07 0.28 0.41 0.00 0.00 173.24 173.47 3hdp s THR 72 N -1.38 0.00 0.59 1.44 -1.32 0.40 -5.00 115.64 110.37 3hdp s THR 72 Ca 0.72 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 61.03 3hdp s THR 72 Cb -0.37 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 3hdp s THR 72 CO 0.43 0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.81 3hdp s PRO 73 N -1.04 3.11 0.00 7.08 0.04 -1.26 -0.86 135.00 142.08 3hdp s PRO 73 Ca 0.00 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.58 3hdp s PRO 73 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3hdp s PRO 73 CO -0.01 -1.03 0.01 2.48 0.04 0.00 0.00 177.00 178.49 3hdp n TYR 74 N -1.76 0.00 -3.59 0.56 0.18 0.55 -4.82 117.16 108.28 3hdp n TYR 74 Ca 0.11 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.83 3hdp n TYR 74 Cb 0.51 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 3hdp n TYR 74 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 3hdp s HIS 75 N -0.01 -0.27 -0.06 -3.48 -3.43 -1.21 -4.71 115.29 102.12 3hdp s HIS 75 Ca 0.00 0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.38 3hdp s HIS 75 Cb 0.00 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.72 3hdp s HIS 75 CO 0.00 -0.64 -0.21 0.42 -2.00 0.00 0.00 174.74 172.31 3hdp s ILE 76 N -3.17 1.76 -0.11 -5.38 1.01 -1.26 0.16 121.20 114.21 3hdp s ILE 76 Ca 0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 3hdp s ILE 76 Cb -0.01 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3hdp s ILE 76 CO -0.05 0.49 -0.01 0.00 0.00 0.00 0.00 174.94 175.38 3hdp s TYR 78 N -0.40 2.59 0.18 0.00 2.02 0.72 -0.37 117.35 122.08 3hdp s TYR 78 Ca 0.07 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.22 3hdp s TYR 78 Cb -0.12 -1.59 -0.07 0.00 -0.40 0.00 0.00 41.96 39.77 3hdp s TYR 78 CO 0.02 0.11 1.05 -1.21 -1.57 0.00 0.00 175.55 173.95 3hdp s GLU 79 N -0.67 4.65 0.01 -0.62 2.02 0.04 -0.37 118.70 123.76 3hdp s GLU 79 Ca 0.10 1.64 -0.01 0.00 0.02 0.00 0.00 54.97 56.73 3hdp s GLU 79 Cb -0.11 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 3hdp s GLU 79 CO 0.00 0.16 -0.00 0.14 0.02 0.00 0.00 175.26 175.58 3hdp s VAL 80 N -0.34 0.09 0.04 2.63 -7.23 0.70 -4.23 120.40 112.06 3hdp s VAL 80 Ca 0.48 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 3hdp s VAL 80 Cb -0.28 -0.25 -0.17 0.00 0.56 0.00 0.00 36.38 36.24 3hdp s VAL 80 CO 0.34 -0.42 1.36 -0.08 -0.31 0.00 0.00 175.10 175.99 3hdp h GLU 81 N 4.79 -0.86 -4.34 4.82 4.57 -1.96 -1.06 114.58 120.54 3hdp h GLU 81 Ca -0.31 0.06 -0.60 0.00 -1.18 0.00 0.00 59.36 57.33 3hdp h GLU 81 Cb 1.21 0.19 -0.38 0.00 -0.16 0.00 0.00 28.75 29.61 3hdp h GLU 81 CO 0.42 -0.54 -0.79 0.34 -1.18 0.00 0.00 179.01 177.27 3hdp s ASP 82 N -4.50 3.67 0.27 1.04 -1.08 -1.26 -4.30 116.67 110.52 3hdp s ASP 82 Ca -0.16 -1.08 -0.02 0.00 -0.52 0.00 0.00 52.55 50.77 3hdp s ASP 82 Cb 0.02 -1.14 0.37 0.00 -1.46 0.00 0.00 42.92 40.71 3hdp s ASP 82 CO 0.53 -0.22 1.82 -0.29 0.52 0.00 0.00 175.17 177.53 3hdp h ILE 83 N 6.60 1.23 -0.32 4.11 2.10 -1.93 -1.67 117.51 127.64 3hdp h ILE 83 Ca -0.20 -0.81 -0.10 0.00 1.08 0.00 0.00 64.86 64.83 3hdp h ILE 83 Cb 1.08 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 3hdp h ILE 83 CO 0.42 0.31 -0.23 -0.61 -1.08 0.00 0.00 178.15 176.95 3hdp h GLN 84 N 0.85 0.63 -0.39 2.19 5.75 -1.99 0.20 115.11 122.35 3hdp h GLN 84 Ca 0.19 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 3hdp h GLN 84 Cb 0.28 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3hdp h GLN 84 CO -0.00 0.81 -0.10 0.87 -2.65 0.00 0.00 178.83 177.76 3hdp h LYS 85 N 0.55 0.75 -0.50 1.69 1.57 -1.92 -2.34 116.57 116.37 3hdp h LYS 85 Ca 0.08 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3hdp h LYS 85 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3hdp h LYS 85 CO 0.05 0.89 0.16 0.77 -0.57 0.00 0.00 179.45 180.76 3hdp h SER 86 N 0.56 0.73 0.15 0.86 0.02 -0.97 -0.34 113.55 114.56 3hdp h SER 86 Ca 0.10 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3hdp h SER 86 Cb 0.62 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3hdp h SER 86 CO 0.04 0.73 -0.14 0.40 -1.14 0.00 0.00 176.83 176.73 3hdp h ILE 87 N 0.68 0.70 -0.57 3.27 2.04 -0.52 0.52 117.51 123.63 3hdp h ILE 87 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3hdp h ILE 87 Cb 0.26 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3hdp h ILE 87 CO -0.01 0.00 0.22 1.05 0.00 0.00 0.00 178.15 179.42 3hdp h GLU 88 N -0.31 0.82 -0.05 2.37 4.11 -1.35 0.12 114.58 120.29 3hdp h GLU 88 Ca -0.00 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 3hdp h GLU 88 Cb 0.29 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hdp h GLU 88 CO -0.03 0.68 0.02 1.49 0.07 0.00 0.00 179.01 181.24 3hdp h GLU 89 N 0.81 0.08 0.00 1.06 4.81 -0.69 -2.84 114.58 117.82 3hdp h GLU 89 Ca 0.19 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3hdp h GLU 89 Cb 0.16 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3hdp h GLU 89 CO -0.02 0.24 -0.16 0.52 -0.73 0.00 0.00 179.01 178.86 3hdp h MET 90 N -0.09 0.00 0.00 1.92 2.86 -0.67 -2.69 114.93 116.26 3hdp h MET 90 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hdp h MET 90 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3hdp h MET 90 CO -0.00 0.16 0.00 0.77 1.06 0.00 0.00 176.91 178.90 3hdp h SER 91 N 0.00 0.00 0.52 1.22 0.02 -0.52 -1.70 113.55 113.09 3hdp h SER 91 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hdp h SER 91 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3hdp h SER 91 CO 0.02 0.00 -0.34 0.00 -1.14 0.00 0.00 176.83 175.37 3hdp n GLN 92 N -2.48 0.20 -2.62 3.45 6.02 -1.01 -4.39 117.38 116.55 3hdp n GLN 92 Ca 0.00 -0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 56.69 3hdp n GLN 92 Cb 0.16 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.93 3hdp n GLN 92 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3hdp n ILE 93 N -1.31 1.77 -0.35 5.09 -5.35 -0.65 -4.95 119.36 113.60 3hdp n ILE 93 Ca 0.08 -4.26 0.00 0.00 -0.27 0.00 0.00 62.75 58.30 3hdp n ILE 93 Cb 0.33 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 3hdp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hdp n GLY 94 N -0.27 0.89 3.76 3.28 0.00 -1.26 -5.06 105.19 106.54 3hdp n GLY 94 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 3hdp n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hdp s TYR 95 N -2.80 3.47 -0.14 1.61 1.51 -1.14 -4.29 117.35 115.57 3hdp s TYR 95 Ca 0.00 0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 56.45 3hdp s TYR 95 Cb 0.00 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3hdp s TYR 95 CO 0.00 0.39 0.01 0.99 -1.11 0.00 0.00 175.55 175.82 3hdp s THR 96 N 0.04 4.30 0.57 -0.71 2.01 -0.58 -4.14 115.64 117.14 3hdp s THR 96 Ca 0.11 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 3hdp s THR 96 Cb -0.12 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3hdp s THR 96 CO 0.01 0.53 1.04 -0.22 -0.69 0.00 0.00 174.62 175.28 3hdp s LEU 97 N -0.09 3.52 -0.40 4.42 2.96 -1.26 -0.55 118.68 127.27 3hdp s LEU 97 Ca 0.04 1.74 -0.03 0.00 -0.22 0.00 0.00 54.13 55.66 3hdp s LEU 97 Cb -0.13 -4.53 0.10 0.00 0.50 0.00 0.00 46.19 42.14 3hdp s LEU 97 CO 0.02 -1.01 0.20 -0.36 -1.32 0.00 0.00 176.35 173.87 3hdp s PHE 98 N -2.52 3.54 0.00 5.38 0.40 0.85 -4.87 117.98 120.76 3hdp s PHE 98 Ca 0.62 -2.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.65 3hdp s PHE 98 Cb -0.14 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.26 3hdp s PHE 98 CO 0.36 -0.95 0.00 1.63 0.70 0.00 0.00 175.22 176.96 3hdp n LYS 99 N 4.63 -0.09 -0.51 0.44 5.02 -1.26 -4.43 118.16 121.96 3hdp n LYS 99 Ca -0.04 0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 3hdp n LYS 99 Cb 0.42 -0.29 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 3hdp n LYS 99 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hdp n LYS 100 N 0.77 -1.03 -4.71 1.97 4.81 -1.26 -4.87 118.16 113.85 3hdp n LYS 100 Ca 0.00 0.68 -0.24 0.00 -0.87 0.00 0.00 58.31 57.88 3hdp n LYS 100 Cb 0.14 -1.25 -0.16 0.00 0.02 0.00 0.00 35.03 33.78 3hdp n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hdp s ALA 101 N -1.69 1.30 0.06 3.14 0.00 -1.26 -4.63 121.76 118.68 3hdp s ALA 101 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3hdp s ALA 101 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3hdp s ALA 101 CO 0.00 0.27 -0.05 -1.21 0.00 0.00 0.00 175.76 174.78 3hdp s GLU 102 N -0.13 0.59 0.50 0.00 0.41 -0.70 -4.90 118.70 114.47 3hdp s GLU 102 Ca 0.01 -1.06 -0.23 0.00 -0.41 0.00 0.00 54.97 53.28 3hdp s GLU 102 Cb -0.08 0.01 -0.07 0.00 -1.78 0.00 0.00 34.13 32.21 3hdp s GLU 102 CO 0.01 -0.05 1.35 0.44 -0.49 0.00 0.00 175.26 176.51 3hdp n ILE 103 N 0.57 3.33 -3.84 -1.63 -5.35 -1.26 -1.55 119.36 109.63 3hdp n ILE 103 Ca -0.17 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.46 3hdp n ILE 103 Cb 0.59 -1.67 -0.13 0.00 -1.74 0.00 0.00 39.64 36.69 3hdp n ILE 103 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hdp s ALA 104 N -1.26 3.01 0.57 -1.28 0.00 0.11 -4.86 121.76 118.05 3hdp s ALA 104 Ca 0.67 -2.24 0.42 0.00 0.00 0.00 0.00 51.96 50.82 3hdp s ALA 104 Cb -0.44 -2.20 2.24 0.00 0.00 0.00 0.00 23.12 22.72 3hdp s ALA 104 CO 0.53 -1.59 2.31 -1.00 0.00 0.00 0.00 175.76 176.01 3hdp h PRO 105 N 8.00 0.00 0.00 0.00 0.13 -1.90 0.26 132.00 138.49 3hdp h PRO 105 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3hdp h PRO 105 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3hdp h PRO 105 CO 0.62 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.20 3hdp n ALA 106 N -2.09 2.51 -2.53 -0.56 0.00 -1.26 -3.82 120.51 112.76 3hdp n ALA 106 Ca -0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 3hdp n ALA 106 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3hdp n ALA 106 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hdp n ILE 107 N -2.14 2.10 -2.12 0.00 5.41 -0.26 -4.94 119.36 117.41 3hdp n ILE 107 Ca 0.05 -4.58 -0.21 0.00 1.00 0.00 0.00 62.75 59.01 3hdp n ILE 107 Cb 0.42 -0.89 -0.04 0.00 -0.71 0.00 0.00 39.64 38.43 3hdp n ILE 107 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3hdp n ASP 108 N -0.39 -5.75 -0.27 4.38 8.00 -1.21 -2.30 116.55 119.01 3hdp n ASP 108 Ca 0.33 0.16 -0.03 0.00 0.71 0.00 0.00 54.79 55.96 3hdp n ASP 108 Cb 0.69 -4.87 -0.01 0.00 -0.02 0.00 0.00 41.12 36.90 3hdp n ASP 108 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hdp n ASN 109 N -1.75 -4.11 -4.78 -2.24 3.02 0.75 -4.98 115.26 101.17 3hdp n ASN 109 Ca -0.23 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.06 3hdp n ASN 109 Cb 0.68 -1.92 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 3hdp n ASN 109 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hdp s ARG 110 N -1.59 3.35 0.53 3.52 0.52 -0.97 -4.04 118.95 120.27 3hdp s ARG 110 Ca 0.00 1.46 -0.18 0.00 -0.52 0.00 0.00 55.73 56.49 3hdp s ARG 110 Cb 0.00 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 3hdp s ARG 110 CO 0.00 -0.82 1.05 0.15 0.02 0.00 0.00 175.30 175.70 3hdp s LYS 111 N -3.52 3.58 0.01 3.54 1.02 -1.26 0.04 119.74 123.14 3hdp s LYS 111 Ca 0.69 1.30 -0.12 0.00 0.02 0.00 0.00 55.97 57.87 3hdp s LYS 111 Cb -0.21 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 3hdp s LYS 111 CO 0.29 -0.61 0.24 0.14 -0.92 0.00 0.00 175.35 174.49 3hdp s VAL 112 N -2.18 0.08 -0.04 3.17 -7.23 -0.60 -1.16 120.40 112.44 3hdp s VAL 112 Ca 0.66 -0.64 -0.14 0.00 -1.81 0.00 0.00 61.98 60.05 3hdp s VAL 112 Cb -0.16 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.14 3hdp s VAL 112 CO 0.28 -0.35 0.31 0.00 -0.31 0.00 0.00 175.10 175.02 3hdp s ALA 113 N -1.74 -0.77 -0.13 1.32 0.00 -0.77 -1.73 121.76 117.94 3hdp s ALA 113 Ca -0.11 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 3hdp s ALA 113 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3hdp s ALA 113 CO 0.01 -0.23 0.07 -0.06 0.00 0.00 0.00 175.76 175.55 3hdp s PHE 114 N -0.96 3.35 0.10 0.00 2.99 -1.26 -1.30 117.98 120.90 3hdp s PHE 114 Ca -0.10 0.28 0.05 0.00 0.00 0.00 0.00 56.93 57.16 3hdp s PHE 114 Cb -0.05 -1.94 -0.03 0.00 0.00 0.00 0.00 43.02 41.00 3hdp s PHE 114 CO 0.03 0.47 -0.12 -0.51 -0.00 0.00 0.00 175.22 175.09 3hdp s LEU 115 N -0.53 2.37 -0.07 -0.37 1.02 -0.47 -0.11 118.68 120.53 3hdp s LEU 115 Ca 0.11 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.52 3hdp s LEU 115 Cb -0.12 -0.41 0.01 0.00 0.02 0.00 0.00 46.19 45.69 3hdp s LEU 115 CO 0.02 -0.19 -0.12 0.12 0.02 0.00 0.00 176.35 176.20 3hdp s PHE 116 N -2.06 1.47 -0.11 0.29 5.36 0.28 -0.98 117.98 122.23 3hdp s PHE 116 Ca 0.04 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 3hdp s PHE 116 Cb -0.05 -1.08 -0.01 0.00 -0.34 0.00 0.00 43.02 41.54 3hdp s PHE 116 CO 0.01 -0.28 -0.16 0.45 -1.46 0.00 0.00 175.22 173.79 3hdp s SER 117 N 0.66 3.82 0.00 6.13 0.15 -0.34 -1.52 113.70 122.60 3hdp s SER 117 Ca -0.15 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.20 3hdp s SER 117 Cb -0.16 -1.47 0.28 0.00 -1.71 0.00 0.00 66.02 62.95 3hdp s SER 117 CO 0.04 0.18 1.17 1.07 1.20 0.00 0.00 173.24 176.90 3hdp n THR 118 N 3.38 1.44 -0.10 6.45 5.66 -1.26 0.57 114.28 130.42 3hdp n THR 118 Ca -0.18 0.36 -0.23 0.00 -3.05 0.00 0.00 64.05 60.95 3hdp n THR 118 Cb 0.53 -1.25 -0.11 0.00 -1.55 0.00 0.00 70.33 67.94 3hdp n THR 118 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hdp n ASP 119 N -1.46 1.90 -0.04 1.09 8.00 -1.26 -4.67 116.55 120.11 3hdp n ASP 119 Ca 0.02 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3hdp n ASP 119 Cb 0.07 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.24 3hdp n ASP 119 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hdp n ILE 120 N -4.32 0.20 -3.82 0.53 -5.35 -1.10 -5.12 119.36 100.38 3hdp n ILE 120 Ca -0.36 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 3hdp n ILE 120 Cb 0.74 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3hdp n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hdp n GLY 121 N -0.04 -0.08 3.70 3.28 0.00 0.19 -4.87 105.19 107.37 3hdp n GLY 121 Ca 0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3hdp n GLY 121 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hdp s LEU 122 N 0.00 4.32 0.17 0.99 2.96 -1.26 -1.20 118.68 124.66 3hdp s LEU 122 Ca 0.00 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 55.79 3hdp s LEU 122 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 3hdp s LEU 122 CO 0.00 -0.49 -0.06 0.27 -1.32 0.00 0.00 176.35 174.74 3hdp s ILE 123 N 1.66 1.06 0.05 6.68 -5.25 -0.15 -4.21 121.20 121.03 3hdp s ILE 123 Ca 0.56 -2.04 0.05 0.00 -0.99 0.00 0.00 60.65 58.23 3hdp s ILE 123 Cb -0.25 -1.99 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 3hdp s ILE 123 CO 0.25 -0.62 -0.14 -0.70 -1.79 0.00 0.00 174.94 171.95 3hdp s GLU 124 N -3.80 0.84 -0.02 0.37 2.12 -0.65 -1.37 118.70 116.20 3hdp s GLU 124 Ca 0.20 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3hdp s GLU 124 Cb 0.04 -0.83 -0.02 0.00 0.26 0.00 0.00 34.13 33.57 3hdp s GLU 124 CO 0.03 0.19 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.23 3hdp s LEU 125 N -1.43 2.40 -0.13 2.70 1.43 -0.42 -0.20 118.68 123.04 3hdp s LEU 125 Ca -0.01 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3hdp s LEU 125 Cb -0.09 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.71 3hdp s LEU 125 CO 0.02 0.32 -0.14 -0.22 0.23 0.00 0.00 176.35 176.55 3hdp s LEU 126 N -0.83 1.65 -0.12 1.79 2.96 0.50 -1.85 118.68 122.78 3hdp s LEU 126 Ca 0.11 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.31 3hdp s LEU 126 Cb -0.10 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3hdp s LEU 126 CO 0.01 -0.03 0.94 -0.70 -1.32 0.00 0.00 176.35 175.25 3hdp s GLU 127 N 1.27 4.39 0.00 1.98 2.12 -0.31 -0.22 118.70 127.93 3hdp s GLU 127 Ca -0.01 1.26 0.00 0.00 0.36 0.00 0.00 54.97 56.59 3hdp s GLU 127 Cb -0.14 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3hdp s GLU 127 CO -0.06 -0.31 0.45 1.17 -0.54 0.00 0.00 175.26 175.97