#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lta n PRO 2 N 0.00 0.26 0.00 0.00 -0.04 -1.26 -4.98 135.00 128.98 1lta n PRO 2 Ca 0.00 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1lta n PRO 2 Cb 0.00 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1lta n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1lta n GLN 3 N -1.85 4.62 -4.15 0.54 6.02 -1.26 -4.95 117.38 116.35 1lta n GLN 3 Ca 0.11 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 1lta n GLN 3 Cb 0.50 -0.82 -0.10 0.00 1.02 0.00 0.00 30.24 30.85 1lta n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lta s THR 4 N -1.52 0.26 0.30 5.09 -4.23 -1.26 -5.05 115.64 109.24 1lta s THR 4 Ca 0.03 -1.90 0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1lta s THR 4 Cb 0.05 -1.92 0.12 0.00 1.34 0.00 0.00 72.50 72.09 1lta s THR 4 CO 0.24 -0.61 1.80 -0.29 -0.54 0.00 0.00 174.62 175.22 1lta h ILE 5 N 2.91 1.07 -0.37 2.99 2.10 -1.96 -1.46 117.51 122.79 1lta h ILE 5 Ca -0.35 -1.36 -0.13 0.00 1.08 0.00 0.00 64.86 64.09 1lta h ILE 5 Cb 1.18 1.77 -0.01 0.00 -1.09 0.00 0.00 36.82 38.68 1lta h ILE 5 CO 0.62 0.36 -0.29 0.74 -1.08 0.00 0.00 178.15 178.49 1lta h THR 6 N 0.00 1.28 -0.50 2.19 2.02 -1.99 0.19 112.91 116.11 1lta h THR 6 Ca -0.00 -1.46 -0.12 0.00 0.77 0.00 0.00 66.41 65.60 1lta h THR 6 Cb 0.74 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1lta h THR 6 CO 0.05 0.48 -0.16 -0.08 0.37 0.00 0.00 175.52 176.18 1lta h GLU 7 N 0.65 0.98 -0.13 6.66 4.81 -1.90 -2.61 114.58 123.03 1lta h GLU 7 Ca 0.07 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1lta h GLU 7 Cb 0.87 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1lta h GLU 7 CO 0.08 1.07 0.03 1.25 -0.73 0.00 0.00 179.01 180.71 1lta h LEU 8 N 0.84 0.21 -1.78 1.64 6.46 -1.21 -3.15 115.31 118.32 1lta h LEU 8 Ca 0.12 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1lta h LEU 8 Cb 0.73 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1lta h LEU 8 CO 0.06 0.39 0.25 0.00 -0.62 0.00 0.00 178.44 178.52 1lta h SER 10 N 0.28 0.00 0.46 0.00 0.02 -1.42 -2.84 113.55 110.06 1lta h SER 10 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1lta h SER 10 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1lta h SER 10 CO -0.03 0.04 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 1lta n GLU 11 N -3.20 0.23 -4.39 3.45 1.02 -0.51 -4.82 120.64 112.42 1lta n GLU 11 Ca -0.01 0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 56.99 1lta n GLU 11 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1lta n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lta s TYR 12 N -2.66 2.12 0.39 -0.32 1.51 -1.07 -5.12 117.35 112.20 1lta s TYR 12 Ca 0.18 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1lta s TYR 12 Cb 0.14 -1.05 -0.10 0.00 -0.11 0.00 0.00 41.96 40.84 1lta s TYR 12 CO 0.33 0.45 0.89 1.03 -1.11 0.00 0.00 175.55 177.14 1lta s ARG 13 N -2.74 4.19 -1.25 -0.62 0.52 -1.26 -4.11 118.95 113.68 1lta s ARG 13 Ca 0.19 1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 56.35 1lta s ARG 13 Cb -0.07 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1lta s ARG 13 CO 0.09 0.04 0.82 0.09 0.02 0.00 0.00 175.30 176.36 1lta n ASN 14 N -0.48 -5.69 -4.65 0.23 3.02 -1.26 -4.95 115.26 101.49 1lta n ASN 14 Ca 0.06 -0.37 -0.26 0.00 -0.03 0.00 0.00 54.58 53.97 1lta n ASN 14 Cb 0.54 -4.39 -0.09 0.00 -0.61 0.00 0.00 39.78 35.22 1lta n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1lta s THR 15 N -3.20 2.24 -0.09 3.41 -4.23 -1.26 -0.74 115.64 111.77 1lta s THR 15 Ca 0.40 -1.93 -0.27 0.00 -1.18 0.00 0.00 61.69 58.71 1lta s THR 15 Cb -0.18 -2.92 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1lta s THR 15 CO 0.50 -0.06 0.64 -1.58 -0.54 0.00 0.00 174.62 173.57 1lta s GLN 16 N -3.76 0.95 -0.12 3.99 0.74 -0.69 -4.84 119.66 115.94 1lta s GLN 16 Ca 0.36 0.36 -0.14 0.00 0.05 0.00 0.00 55.36 56.00 1lta s GLN 16 Cb 0.05 0.45 -0.05 0.00 1.10 0.00 0.00 33.01 34.57 1lta s GLN 16 CO 0.19 -0.26 0.31 0.42 -0.55 0.00 0.00 175.29 175.41 1lta s ILE 17 N -0.85 5.27 -0.14 -2.34 -1.09 -1.26 -1.22 121.20 119.56 1lta s ILE 17 Ca -0.09 0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 1lta s ILE 17 Cb -0.02 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1lta s ILE 17 CO 0.07 0.44 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.90 1lta s TYR 18 N 0.06 3.09 -0.47 3.97 1.51 0.32 -4.96 117.35 120.87 1lta s TYR 18 Ca 0.18 -0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.92 1lta s TYR 18 Cb -0.14 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1lta s TYR 18 CO 0.06 0.10 0.58 0.99 -1.11 0.00 0.00 175.55 176.17 1lta s THR 19 N 0.10 4.92 -0.18 -0.71 2.01 -1.26 -0.93 115.64 119.59 1lta s THR 19 Ca 0.01 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 1lta s THR 19 Cb -0.13 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 1lta s THR 19 CO 0.02 -0.67 -0.32 -0.38 -0.69 0.00 0.00 174.62 172.59 1lta n ILE 20 N 5.62 1.49 -3.73 1.82 2.08 -0.37 -5.02 119.36 121.25 1lta n ILE 20 Ca -0.06 0.13 -0.23 0.00 0.56 0.00 0.00 62.75 63.15 1lta n ILE 20 Cb 0.46 -2.33 0.02 0.00 -0.75 0.00 0.00 39.64 37.04 1lta n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lta n ASN 21 N -4.48 -1.75 -3.61 4.38 4.05 -0.49 -4.97 115.26 108.39 1lta n ASN 21 Ca -0.15 -0.88 -0.10 0.00 0.45 0.00 0.00 54.58 53.90 1lta n ASN 21 Cb 0.49 -3.82 -0.03 0.00 1.23 0.00 0.00 39.78 37.66 1lta n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lta s ASP 22 N -4.21 -0.39 0.51 1.20 2.15 -0.95 -4.89 116.67 110.10 1lta s ASP 22 Ca 0.08 -0.28 -0.05 0.00 0.43 0.00 0.00 52.55 52.73 1lta s ASP 22 Cb -0.02 0.60 -0.02 0.00 -0.30 0.00 0.00 42.92 43.18 1lta s ASP 22 CO 0.83 -1.04 0.81 -1.59 -0.17 0.00 0.00 175.17 174.01 1lta s LYS 23 N -3.82 3.29 0.19 4.34 -2.85 -1.26 -0.36 119.74 119.27 1lta s LYS 23 Ca 0.05 0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.80 1lta s LYS 23 Cb -0.01 -2.36 -0.08 0.00 -2.06 0.00 0.00 37.83 33.32 1lta s LYS 23 CO -0.07 -0.38 1.17 0.42 0.10 0.00 0.00 175.35 176.60 1lta s ILE 24 N -2.81 3.63 -0.16 3.79 1.01 -1.26 -4.73 121.20 120.68 1lta s ILE 24 Ca 0.50 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 62.31 1lta s ILE 24 Cb -0.10 -3.89 -0.24 0.00 0.01 0.00 0.00 42.46 38.23 1lta s ILE 24 CO 0.44 0.24 0.54 0.25 0.00 0.00 0.00 174.94 176.41 1lta h LEU 25 N 5.09 0.08 -8.12 2.97 5.85 -1.22 -3.48 115.31 116.48 1lta h LEU 25 Ca -0.45 -0.80 -0.17 0.00 0.84 0.00 0.00 57.88 57.31 1lta h LEU 25 Cb 1.21 -0.03 -0.19 0.00 0.37 0.00 0.00 40.66 42.03 1lta h LEU 25 CO 0.73 1.29 -0.70 -0.94 -0.34 0.00 0.00 178.44 178.49 1lta s SER 26 N -6.61 0.45 -0.11 1.25 1.04 -1.04 -4.96 113.70 103.72 1lta s SER 26 Ca -0.22 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 1lta s SER 26 Cb 0.02 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1lta s SER 26 CO 0.67 -0.41 -0.05 -0.47 0.98 0.00 0.00 173.24 173.96 1lta s TYR 27 N -2.46 1.29 -0.10 5.02 5.04 -1.26 -1.87 117.35 123.02 1lta s TYR 27 Ca -0.06 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1lta s TYR 27 Cb -0.03 -1.13 -0.02 0.00 0.35 0.00 0.00 41.96 41.13 1lta s TYR 27 CO -0.04 -0.48 -0.14 0.99 -1.34 0.00 0.00 175.55 174.54 1lta s THR 28 N 1.77 3.06 -0.08 4.34 2.01 0.02 -4.99 115.64 121.77 1lta s THR 28 Ca 0.05 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1lta s THR 28 Cb -0.13 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1lta s THR 28 CO -0.07 0.55 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.55 1lta s GLU 29 N -0.09 2.15 -0.02 4.92 2.12 -1.26 -1.06 118.70 125.46 1lta s GLU 29 Ca -0.02 -0.56 0.06 0.00 0.36 0.00 0.00 54.97 54.81 1lta s GLU 29 Cb -0.14 -1.74 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 1lta s GLU 29 CO 0.04 0.04 -0.20 0.45 -0.54 0.00 0.00 175.26 175.05 1lta s SER 30 N 0.66 2.39 -0.05 -1.70 0.15 -0.68 -5.00 113.70 109.46 1lta s SER 30 Ca -0.14 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.22 1lta s SER 30 Cb -0.16 -0.32 0.15 0.00 -1.71 0.00 0.00 66.02 63.98 1lta s SER 30 CO 0.04 0.24 1.10 1.15 1.20 0.00 0.00 173.24 176.97 1lta n MET 31 N 2.65 2.47 -2.31 5.44 0.00 -1.26 -3.00 117.12 121.11 1lta n MET 31 Ca -0.16 -1.96 -0.41 0.00 0.00 0.00 0.00 57.70 55.18 1lta n MET 31 Cb 0.53 -1.23 -0.03 0.00 0.00 0.00 0.00 33.22 32.49 1lta n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lta s ALA 32 N -1.67 3.45 0.17 3.17 0.00 -1.26 -4.87 121.76 120.74 1lta s ALA 32 Ca 0.15 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.83 1lta s ALA 32 Cb 0.12 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1lta s ALA 32 CO 0.03 -0.39 1.57 0.41 0.00 0.00 0.00 175.76 177.38 1lta n GLY 33 N 1.18 1.12 3.18 0.00 0.00 -1.26 -0.75 105.19 108.66 1lta n GLY 33 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1lta n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lta n LYS 34 N 3.34 -0.95 -2.40 1.61 5.02 -1.26 -4.81 118.16 118.71 1lta n LYS 34 Ca 0.17 0.24 -0.16 0.00 -2.02 0.00 0.00 58.31 56.54 1lta n LYS 34 Cb 0.29 -4.37 0.03 0.00 -0.02 0.00 0.00 35.03 30.95 1lta n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lta n ARG 35 N -0.70 2.76 -2.58 1.97 5.12 0.07 -4.97 116.66 118.33 1lta n ARG 35 Ca 0.00 -3.93 -0.41 0.00 -1.93 0.00 0.00 57.85 51.58 1lta n ARG 35 Cb 0.24 -1.96 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 1lta n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lta s GLU 36 N -3.60 3.58 0.26 5.56 8.01 -1.13 -4.37 118.70 127.01 1lta s GLU 36 Ca 0.41 -1.14 -0.11 0.00 0.01 0.00 0.00 54.97 54.13 1lta s GLU 36 Cb 0.39 -5.30 -0.00 0.00 -4.31 0.00 0.00 34.13 24.90 1lta s GLU 36 CO -0.02 -2.18 0.48 0.00 0.01 0.00 0.00 175.26 173.55 1lta s MET 37 N 4.85 1.61 0.03 1.61 0.23 -1.16 -4.41 119.30 122.05 1lta s MET 37 Ca 0.45 -1.33 0.06 0.00 -1.03 0.00 0.00 55.69 53.84 1lta s MET 37 Cb -0.01 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1lta s MET 37 CO -0.09 -0.67 -0.18 0.08 -2.03 0.00 0.00 175.02 172.13 1lta s VAL 38 N -3.83 1.42 -0.03 5.16 1.01 -1.24 -1.69 120.40 121.19 1lta s VAL 38 Ca 0.24 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1lta s VAL 38 Cb -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1lta s VAL 38 CO 0.11 0.20 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 1lta s ILE 39 N -0.69 0.99 0.08 2.22 1.01 -0.23 -1.34 121.20 123.24 1lta s ILE 39 Ca 0.06 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1lta s ILE 39 Cb -0.08 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1lta s ILE 39 CO 0.01 0.30 -0.21 0.27 0.00 0.00 0.00 174.94 175.31 1lta s ILE 40 N 0.21 1.73 0.13 2.92 -4.36 -0.47 -0.80 121.20 120.56 1lta s ILE 40 Ca -0.04 -1.43 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 1lta s ILE 40 Cb -0.10 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1lta s ILE 40 CO 0.01 0.05 -0.09 0.42 0.24 0.00 0.00 174.94 175.57 1lta s THR 41 N -1.02 0.98 0.26 8.37 -4.23 -0.78 -1.98 115.64 117.23 1lta s THR 41 Ca 0.07 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1lta s THR 41 Cb -0.10 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1lta s THR 41 CO 0.03 -0.80 -0.04 -0.36 -0.54 0.00 0.00 174.62 172.92 1lta s PHE 42 N -3.45 2.64 0.45 3.99 0.08 -0.67 -0.65 117.98 120.37 1lta s PHE 42 Ca 0.15 -0.24 0.20 0.00 0.12 0.00 0.00 56.93 57.16 1lta s PHE 42 Cb 0.04 -1.17 1.18 0.00 -0.57 0.00 0.00 43.02 42.49 1lta s PHE 42 CO -0.02 0.63 1.90 0.87 -0.10 0.00 0.00 175.22 178.50 1lta h LYS 43 N 2.00 0.29 0.00 0.44 1.57 -1.90 0.26 116.57 119.22 1lta h LYS 43 Ca -0.44 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1lta h LYS 43 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1lta h LYS 43 CO 0.60 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 180.33 1lta h SER 44 N 0.30 0.00 0.00 0.86 4.64 -1.98 -3.45 113.55 113.91 1lta h SER 44 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1lta h SER 44 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1lta h SER 44 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1lta n GLY 45 N -1.07 0.89 3.75 -0.77 0.00 0.92 -5.06 105.19 103.85 1lta n GLY 45 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1lta n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lta s GLU 46 N -0.59 4.34 -0.05 1.61 2.02 -1.25 -4.77 118.70 120.01 1lta s GLU 46 Ca 0.00 2.19 0.04 0.00 0.02 0.00 0.00 54.97 57.22 1lta s GLU 46 Cb 0.00 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 1lta s GLU 46 CO 0.00 -0.28 -0.17 0.99 0.02 0.00 0.00 175.26 175.81 1lta s THR 47 N -0.33 1.47 0.07 3.63 2.01 -1.26 -1.67 115.64 119.56 1lta s THR 47 Ca 0.55 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1lta s THR 47 Cb -0.39 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1lta s THR 47 CO 0.44 0.42 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.36 1lta s PHE 48 N 0.06 0.80 0.21 4.92 0.08 -0.84 -3.82 117.98 119.39 1lta s PHE 48 Ca -0.05 -0.74 0.07 0.00 0.12 0.00 0.00 56.93 56.33 1lta s PHE 48 Cb -0.12 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 1lta s PHE 48 CO 0.02 -0.12 -0.13 1.14 -0.10 0.00 0.00 175.22 176.03 1lta s GLN 49 N -2.89 1.32 -0.26 0.44 -2.07 -0.61 -1.37 119.66 114.21 1lta s GLN 49 Ca 0.03 -1.59 -0.09 0.00 -1.82 0.00 0.00 55.36 51.88 1lta s GLN 49 Cb -0.01 -1.06 -0.04 0.00 -1.09 0.00 0.00 33.01 30.81 1lta s GLN 49 CO -0.03 0.16 0.12 0.08 -1.32 0.00 0.00 175.29 174.30 1lta s VAL 50 N -3.02 4.74 0.77 3.63 1.01 -0.45 -2.09 120.40 124.99 1lta s VAL 50 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1lta s VAL 50 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1lta s VAL 50 CO 0.07 0.30 1.14 -1.61 0.00 0.00 0.00 175.10 175.00 1lta s GLU 51 N 1.67 2.02 0.28 2.72 2.02 -1.26 -3.71 118.70 122.43 1lta s GLU 51 Ca 0.07 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 1lta s GLU 51 Cb -0.15 -1.85 -0.11 0.00 0.10 0.00 0.00 34.13 32.12 1lta s GLU 51 CO 0.07 -1.87 1.50 0.08 0.02 0.00 0.00 175.26 175.05 1lta s VAL 52 N -2.47 2.36 0.28 2.63 1.01 -1.26 -4.90 120.40 118.05 1lta s VAL 52 Ca 0.67 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1lta s VAL 52 Cb -0.23 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 1lta s VAL 52 CO 0.51 0.05 1.56 -2.65 0.00 0.00 0.00 175.10 174.57 1lta n PRO 53 N 1.99 2.57 -0.80 2.72 -0.02 -1.26 -4.96 135.00 135.25 1lta n PRO 53 Ca 0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1lta n PRO 53 Cb 0.39 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1lta n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lta n GLY 54 N 2.13 3.95 0.22 -1.23 0.00 -1.26 -5.01 105.19 103.99 1lta n GLY 54 Ca 0.09 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.84 1lta n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lta h SER 55 N 0.00 0.00 0.10 1.61 0.02 -2.02 -0.81 113.55 112.45 1lta h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lta h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1lta h SER 55 CO 0.00 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 175.92 1lta n GLN 56 N -4.20 0.59 -4.09 3.45 0.00 -1.26 -4.76 117.38 107.11 1lta n GLN 56 Ca -0.02 0.02 -0.35 0.00 0.00 0.00 0.00 57.00 56.65 1lta n GLN 56 Cb 0.29 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.94 1lta n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lta s HIS 57 N -2.14 3.32 0.69 2.61 3.76 -0.31 -5.09 115.29 118.12 1lta s HIS 57 Ca 0.30 0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 55.35 1lta s HIS 57 Cb 0.15 -1.95 0.04 0.00 1.11 0.00 0.00 32.58 31.93 1lta s HIS 57 CO 0.27 0.42 1.04 0.96 -0.85 0.00 0.00 174.74 176.57 1lta s ILE 58 N -0.42 2.93 0.18 0.60 -4.36 -1.26 -4.86 121.20 114.01 1lta s ILE 58 Ca 0.10 0.06 -0.14 0.00 -0.26 0.00 0.00 60.65 60.40 1lta s ILE 58 Cb -0.12 -3.26 0.10 0.00 1.25 0.00 0.00 42.46 40.44 1lta s ILE 58 CO 0.02 -0.30 1.70 0.44 0.24 0.00 0.00 174.94 177.03 1lta h ASP 59 N -0.58 -0.14 0.04 4.36 3.32 -1.98 -0.93 116.42 120.51 1lta h ASP 59 Ca -0.45 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1lta h ASP 59 Cb 1.29 0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1lta h ASP 59 CO 0.62 -0.04 0.00 0.77 -1.72 0.00 0.00 179.24 178.88 1lta h SER 60 N 0.14 0.00 1.63 6.45 4.64 -2.05 -1.86 113.55 122.50 1lta h SER 60 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1lta h SER 60 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1lta h SER 60 CO -0.36 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.07 1lta h GLN 61 N 0.00 0.00 -0.46 4.77 4.20 -1.54 -3.34 115.11 118.74 1lta h GLN 61 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1lta h GLN 61 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1lta h GLN 61 CO 0.00 0.00 -0.24 0.87 -0.67 0.00 0.00 178.83 178.79 1lta h LYS 62 N 0.00 0.98 0.00 1.46 1.57 -1.39 0.46 116.57 119.66 1lta h LYS 62 Ca 0.00 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1lta h LYS 62 Cb 0.86 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1lta h LYS 62 CO 0.00 1.11 -0.18 1.57 -0.57 0.00 0.00 179.45 181.38 1lta h LYS 63 N 0.83 0.00 0.00 3.15 2.10 -1.76 -2.97 116.57 117.92 1lta h LYS 63 Ca 0.10 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.58 1lta h LYS 63 Cb 0.82 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.13 1lta h LYS 63 CO 0.07 0.18 -0.84 0.00 -2.00 0.00 0.00 179.45 176.86 1lta h ALA 64 N 1.82 0.54 -0.25 0.07 0.00 -1.52 -1.63 119.26 118.30 1lta h ALA 64 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1lta h ALA 64 Cb 0.76 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1lta h ALA 64 CO 0.02 1.04 0.08 0.82 0.00 0.00 0.00 179.25 181.22 1lta h ILE 65 N 0.00 1.19 -0.37 0.00 2.04 -0.78 -1.52 117.51 118.07 1lta h ILE 65 Ca -0.01 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1lta h ILE 65 Cb 1.56 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1lta h ILE 65 CO 0.11 0.19 0.20 -0.33 0.00 0.00 0.00 178.15 178.32 1lta h GLU 66 N 0.24 0.40 -0.75 2.37 4.39 -1.40 -2.20 114.58 117.63 1lta h GLU 66 Ca 0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1lta h GLU 66 Cb 0.22 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1lta h GLU 66 CO -0.00 0.26 0.48 -0.09 -1.16 0.00 0.00 179.01 178.50 1lta h ARG 67 N 0.41 0.92 -0.62 2.33 2.43 -1.22 -2.45 114.38 116.18 1lta h ARG 67 Ca 0.15 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1lta h ARG 67 Cb 0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1lta h ARG 67 CO -0.09 0.61 0.21 1.98 -1.51 0.00 0.00 179.97 181.17 1lta h MET 68 N 0.95 0.94 -0.80 0.20 4.05 -0.83 0.24 114.93 119.67 1lta h MET 68 Ca 0.29 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1lta h MET 68 Cb -0.02 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 1lta h MET 68 CO -0.10 0.80 0.32 0.87 0.23 0.00 0.00 176.91 179.03 1lta h LYS 69 N 0.91 1.19 -0.61 0.39 1.57 -1.20 -1.10 116.57 117.73 1lta h LYS 69 Ca 0.21 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1lta h LYS 69 Cb 0.24 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1lta h LYS 69 CO -0.01 0.97 0.11 -0.44 -0.57 0.00 0.00 179.45 179.50 1lta h ASP 70 N 1.16 0.97 -0.40 0.86 3.32 -0.88 -1.76 116.42 119.69 1lta h ASP 70 Ca 0.27 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1lta h ASP 70 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1lta h ASP 70 CO -0.02 0.98 -0.15 0.74 -1.72 0.00 0.00 179.24 179.06 1lta h THR 71 N 0.92 1.27 -0.11 0.35 2.02 -0.63 -2.61 112.91 114.11 1lta h THR 71 Ca 0.19 -1.27 -0.15 0.00 0.77 0.00 0.00 66.41 65.95 1lta h THR 71 Cb 0.42 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1lta h THR 71 CO 0.01 0.44 -0.56 -0.07 0.37 0.00 0.00 175.52 175.70 1lta h LEU 72 N 0.77 0.38 0.03 2.58 3.38 -0.93 -1.11 115.31 120.42 1lta h LEU 72 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lta h LEU 72 Cb 0.68 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1lta h LEU 72 CO 0.05 0.87 -0.02 -0.09 0.09 0.00 0.00 178.44 179.34 1lta h ARG 73 N 0.26 -0.04 0.00 1.13 2.43 -1.21 -1.53 114.38 115.43 1lta h ARG 73 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1lta h ARG 73 Cb 1.07 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1lta h ARG 73 CO 0.09 0.15 -0.49 0.97 -1.51 0.00 0.00 179.97 179.18 1lta h ILE 74 N -0.23 1.29 -0.60 1.20 2.10 -1.39 -1.45 117.51 118.44 1lta h ILE 74 Ca -0.00 -1.73 -0.10 0.00 1.08 0.00 0.00 64.86 64.11 1lta h ILE 74 Cb 0.21 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 1lta h ILE 74 CO 0.01 0.48 -0.00 0.74 -1.08 0.00 0.00 178.15 178.30 1lta h THR 75 N 0.00 1.27 0.03 2.19 2.02 -1.15 -1.36 112.91 115.90 1lta h THR 75 Ca -0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1lta h THR 75 Cb 0.91 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1lta h THR 75 CO 0.06 0.42 -0.01 0.22 0.37 0.00 0.00 175.52 176.58 1lta h TYR 76 N 0.96 -0.03 -0.80 3.16 3.20 -0.85 -2.09 116.97 120.53 1lta h TYR 76 Ca 0.17 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1lta h TYR 76 Cb 0.56 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1lta h TYR 76 CO 0.04 0.15 0.34 -0.07 -1.64 0.00 0.00 178.16 176.98 1lta h LEU 77 N -0.21 1.08 -0.19 2.82 3.38 -1.20 -0.99 115.31 120.01 1lta h LEU 77 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1lta h LEU 77 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1lta h LEU 77 CO 0.01 0.94 -0.07 0.35 0.09 0.00 0.00 178.44 179.76 1lta n THR 78 N -4.31 0.00 -3.57 0.22 -2.24 -0.52 -4.92 114.28 98.95 1lta n THR 78 Ca 0.07 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 1lta n THR 78 Cb 0.17 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.24 1lta n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lta n GLU 79 N -0.98 -5.87 -2.55 -0.78 1.02 -0.38 -4.98 120.64 106.13 1lta n GLU 79 Ca 0.16 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.60 1lta n GLU 79 Cb 0.25 -5.63 -0.04 0.00 -0.02 0.00 0.00 31.44 26.00 1lta n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lta s THR 80 N -3.23 4.19 0.17 2.62 2.01 -0.98 -4.82 115.64 115.59 1lta s THR 80 Ca 0.54 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 63.94 1lta s THR 80 Cb -0.26 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1lta s THR 80 CO 0.66 0.21 1.27 -0.54 -0.69 0.00 0.00 174.62 175.52 1lta s LYS 81 N 0.42 4.42 0.03 4.92 3.01 -1.26 -4.43 119.74 126.84 1lta s LYS 81 Ca 0.53 1.96 -0.17 0.00 -1.01 0.00 0.00 55.97 57.27 1lta s LYS 81 Cb -0.27 -3.24 -0.06 0.00 -1.01 0.00 0.00 37.83 33.25 1lta s LYS 81 CO 0.31 -0.22 0.50 0.42 0.51 0.00 0.00 175.35 176.87 1lta s ILE 82 N 0.30 4.88 -0.01 2.17 1.01 0.51 -4.53 121.20 125.53 1lta s ILE 82 Ca 0.57 1.05 -0.00 0.00 0.00 0.00 0.00 60.65 62.26 1lta s ILE 82 Cb -0.34 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1lta s ILE 82 CO 0.35 0.55 -0.01 -0.78 0.00 0.00 0.00 174.94 175.06 1lta h ASP 83 N 4.72 0.00 -4.45 3.58 3.58 -1.27 -1.18 116.42 121.41 1lta h ASP 83 Ca -0.50 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.65 1lta h ASP 83 Cb 1.21 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.09 1lta h ASP 83 CO 0.63 0.06 -0.73 -0.54 -2.88 0.00 0.00 179.24 175.79 1lta s LYS 84 N -1.09 0.81 -0.04 0.28 1.02 -1.17 -1.23 119.74 118.31 1lta s LYS 84 Ca -0.01 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.89 1lta s LYS 84 Cb 0.00 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 1lta s LYS 84 CO 0.01 0.07 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.81 1lta s LEU 85 N -2.43 1.96 -0.24 3.17 1.43 -0.11 -1.75 118.68 120.72 1lta s LEU 85 Ca 0.05 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1lta s LEU 85 Cb -0.03 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1lta s LEU 85 CO -0.01 0.18 0.13 0.00 0.23 0.00 0.00 176.35 176.89 1lta s VAL 87 N 1.14 1.43 -0.16 0.00 -7.23 -0.36 -0.53 120.40 114.69 1lta s VAL 87 Ca 0.06 -1.72 -0.22 0.00 -1.81 0.00 0.00 61.98 58.30 1lta s VAL 87 Cb -0.14 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1lta s VAL 87 CO 0.05 -0.36 0.66 0.26 -0.31 0.00 0.00 175.10 175.39 1lta s TRP 88 N -2.01 3.43 -1.26 2.82 0.51 0.46 -1.70 118.94 121.20 1lta s TRP 88 Ca 0.09 1.03 0.18 0.00 -2.12 0.00 0.00 56.10 55.29 1lta s TRP 88 Cb -0.06 -2.81 0.69 0.00 -0.81 0.00 0.00 33.47 30.49 1lta s TRP 88 CO 0.04 -0.10 1.59 0.27 -0.51 0.00 0.00 176.95 178.24 1lta n ASN 89 N 4.69 4.54 -2.20 2.95 0.23 0.08 -2.37 115.26 123.18 1lta n ASN 89 Ca -0.01 -2.39 -0.29 0.00 -0.53 0.00 0.00 54.58 51.37 1lta n ASN 89 Cb 0.50 -0.56 0.12 0.00 -2.08 0.00 0.00 39.78 37.76 1lta n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lta n ASN 90 N 1.15 5.88 -3.87 0.53 6.94 -1.26 -4.91 115.26 119.72 1lta n ASN 90 Ca 0.25 -3.73 -0.11 0.00 -0.02 0.00 0.00 54.58 50.97 1lta n ASN 90 Cb 0.84 -0.87 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 1lta n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1lta s LYS 91 N -3.60 0.37 -0.13 -3.83 2.47 -1.26 -5.08 119.74 108.68 1lta s LYS 91 Ca 0.60 -0.25 -0.00 0.00 -1.56 0.00 0.00 55.97 54.75 1lta s LYS 91 Cb 0.49 0.15 0.03 0.00 -1.46 0.00 0.00 37.83 37.04 1lta s LYS 91 CO 0.03 -0.08 -0.07 0.99 0.16 0.00 0.00 175.35 176.38 1lta s THR 92 N -0.97 1.08 0.93 3.43 2.01 -1.26 -3.13 115.64 117.73 1lta s THR 92 Ca -0.11 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1lta s THR 92 Cb -0.06 -1.13 0.15 0.00 0.01 0.00 0.00 72.50 71.47 1lta s THR 92 CO 0.01 0.31 1.09 -2.16 -0.69 0.00 0.00 174.62 173.17 1lta s PRO 93 N 1.68 0.95 0.47 4.92 0.04 -1.26 -5.07 135.00 136.73 1lta s PRO 93 Ca 0.04 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 61.60 1lta s PRO 93 Cb -0.13 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1lta s PRO 93 CO -0.08 -2.44 1.38 -0.80 0.04 0.00 0.00 177.00 175.10 1lta s ASN 94 N -3.37 5.81 -0.10 6.66 0.02 -1.18 -4.50 114.94 118.27 1lta s ASN 94 Ca 0.64 2.81 -0.04 0.00 -1.02 0.00 0.00 52.86 55.24 1lta s ASN 94 Cb -0.18 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.40 1lta s ASN 94 CO 0.57 -1.21 0.07 -0.94 0.02 0.00 0.00 177.10 175.62 1lta s SER 95 N -0.70 5.82 0.14 -1.22 1.04 -1.00 -1.57 113.70 116.21 1lta s SER 95 Ca 0.63 0.31 -0.31 0.00 0.48 0.00 0.00 55.95 57.06 1lta s SER 95 Cb -0.41 -1.77 -0.08 0.00 0.10 0.00 0.00 66.02 63.85 1lta s SER 95 CO 0.52 0.39 1.37 -0.63 0.98 0.00 0.00 173.24 175.86 1lta s ILE 96 N -0.97 3.26 -0.19 -1.02 1.01 -0.89 -0.40 121.20 122.00 1lta s ILE 96 Ca 0.15 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.76 1lta s ILE 96 Cb -0.12 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1lta s ILE 96 CO 0.04 0.09 -0.16 0.00 0.00 0.00 0.00 174.94 174.91 1lta n ALA 97 N 3.54 1.58 -3.15 9.38 0.00 0.31 -4.87 120.51 127.31 1lta n ALA 97 Ca 0.10 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 1lta n ALA 97 Cb 0.42 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1lta n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lta s ALA 98 N -2.39 -1.09 0.03 0.00 0.00 -1.00 -4.99 121.76 112.32 1lta s ALA 98 Ca -0.25 0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1lta s ALA 98 Cb 0.07 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1lta s ALA 98 CO 0.46 -0.56 -0.07 -1.50 0.00 0.00 0.00 175.76 174.09 1lta s ILE 99 N -3.09 0.47 0.05 0.00 2.07 -1.26 -1.45 121.20 118.00 1lta s ILE 99 Ca -0.02 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.36 1lta s ILE 99 Cb 0.00 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1lta s ILE 99 CO -0.07 -0.28 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.68 1lta s SER 100 N -1.25 0.75 -0.01 4.50 1.04 -0.71 -4.99 113.70 113.04 1lta s SER 100 Ca -0.08 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.46 1lta s SER 100 Cb -0.08 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1lta s SER 100 CO 0.00 -0.35 0.34 0.00 0.98 0.00 0.00 173.24 174.21 1lta s MET 101 N -2.50 0.72 -0.01 4.02 0.23 -1.26 -0.78 119.30 119.72 1lta s MET 101 Ca -0.03 -0.19 0.02 0.00 -1.03 0.00 0.00 55.69 54.46 1lta s MET 101 Cb -0.03 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.58 1lta s MET 101 CO -0.03 -0.21 -0.05 0.21 -2.03 0.00 0.00 175.02 172.91 1lta s LYS 102 N -1.46 0.46 0.00 3.16 2.20 -1.26 -4.90 119.74 117.95 1lta s LYS 102 Ca -0.12 -0.19 0.15 0.00 -0.36 0.00 0.00 55.97 55.44 1lta s LYS 102 Cb -0.04 -0.45 0.12 0.00 -1.51 0.00 0.00 37.83 35.94 1lta s LYS 102 CO 0.04 0.11 0.98 0.09 -0.36 0.00 0.00 175.35 176.21