#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lta s PRO 2 N 0.00 2.96 -0.02 0.00 0.02 -1.26 -5.00 135.00 131.70 1lta s PRO 2 Ca 0.00 2.04 0.14 0.00 0.02 0.00 0.00 61.00 63.20 1lta s PRO 2 Cb 0.00 -2.05 -0.20 0.00 0.02 0.00 0.00 34.50 32.27 1lta s PRO 2 CO 0.00 -1.28 0.35 1.04 -0.33 0.00 0.00 177.00 176.78 1lta n GLN 3 N -1.41 0.79 -4.21 5.54 6.02 -1.26 -4.96 117.38 117.89 1lta n GLN 3 Ca 0.13 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1lta n GLN 3 Cb 0.47 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 30.34 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 -2.84 0.68 0.38 5.09 -4.23 -1.26 -5.03 115.64 108.43 1lta s THR 4 Ca -0.03 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1lta s THR 4 Cb 0.09 -1.93 0.26 0.00 1.34 0.00 0.00 72.50 72.27 1lta s THR 4 CO 0.57 -0.65 2.04 -0.29 -0.54 0.00 0.00 174.62 175.75 1lta h ILE 5 N 2.82 1.13 0.00 2.99 2.10 -1.96 -1.85 117.51 122.74 1lta h ILE 5 Ca -0.36 -0.24 -0.09 0.00 1.08 0.00 0.00 64.86 65.25 1lta h ILE 5 Cb 1.19 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 1lta h ILE 5 CO 0.63 0.13 -0.41 0.74 -1.08 0.00 0.00 178.15 178.16 1lta h THR 6 N 0.70 1.21 -0.05 2.19 2.02 -1.99 -0.66 112.91 116.33 1lta h THR 6 Ca 0.19 -1.44 -0.23 0.00 0.77 0.00 0.00 66.41 65.70 1lta h THR 6 Cb -0.08 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1lta h THR 6 CO -0.04 0.40 -0.90 -0.08 0.37 0.00 0.00 175.52 175.27 1lta h GLU 7 N 0.00 0.57 -0.20 6.66 4.81 -1.76 -2.96 114.58 121.69 1lta h GLU 7 Ca -0.00 -0.55 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 1lta h GLU 7 Cb 0.76 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1lta h GLU 7 CO 0.05 1.17 -0.38 1.25 -0.73 0.00 0.00 179.01 180.37 1lta h LEU 8 N 0.35 0.68 -1.35 1.64 5.85 -1.18 -3.31 115.31 118.00 1lta h LEU 8 Ca -0.08 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.08 1lta h LEU 8 Cb 1.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1lta h LEU 8 CO 0.17 1.10 0.22 0.00 -0.34 0.00 0.00 178.44 179.59 1lta n SER 10 N -4.38 0.88 -0.58 0.00 3.41 -1.12 -2.91 113.62 108.91 1lta n SER 10 Ca 0.04 -1.75 0.12 0.00 -0.26 0.00 0.00 58.87 57.02 1lta n SER 10 Cb 0.13 -0.08 0.40 0.00 -0.26 0.00 0.00 64.21 64.40 1lta n SER 10 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1lta n GLU 11 N -0.13 1.78 -4.23 4.33 0.28 -1.10 -4.89 120.64 116.68 1lta n GLU 11 Ca 0.11 -1.16 -0.29 0.00 -0.16 0.00 0.00 57.16 55.66 1lta n GLU 11 Cb 0.18 -1.43 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 1lta n GLU 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1lta s TYR 12 N -1.85 2.72 0.16 -1.84 2.02 -1.15 -5.11 117.35 112.32 1lta s TYR 12 Ca 0.34 -0.17 -0.22 0.00 -0.37 0.00 0.00 57.07 56.66 1lta s TYR 12 Cb 0.19 -1.41 -0.08 0.00 -0.40 0.00 0.00 41.96 40.26 1lta s TYR 12 CO 0.29 0.44 0.70 1.03 -1.57 0.00 0.00 175.55 176.44 1lta s ARG 13 N -2.30 4.35 -0.62 -0.62 0.52 -1.26 -4.24 118.95 114.78 1lta s ARG 13 Ca 0.22 0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 56.33 1lta s ARG 13 Cb -0.11 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1lta s ARG 13 CO 0.14 0.52 0.44 0.09 0.02 0.00 0.00 175.30 176.51 1lta n ASN 14 N 1.29 -3.79 -4.55 0.23 4.13 -1.26 -4.95 115.26 106.36 1lta n ASN 14 Ca -0.06 -0.20 -0.26 0.00 1.68 0.00 0.00 54.58 55.75 1lta n ASN 14 Cb 0.50 -2.46 -0.11 0.00 -1.54 0.00 0.00 39.78 36.18 1lta n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lta s THR 15 N -3.03 2.11 0.01 3.41 -4.23 -1.26 -0.17 115.64 112.48 1lta s THR 15 Ca 0.22 -2.15 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 1lta s THR 15 Cb -0.10 -2.70 0.09 0.00 1.34 0.00 0.00 72.50 71.13 1lta s THR 15 CO 0.27 -0.16 0.76 0.00 -0.54 0.00 0.00 174.62 174.94 1lta s GLN 16 N -3.65 0.99 -0.12 3.99 -2.07 -0.56 -4.81 119.66 113.43 1lta s GLN 16 Ca 0.33 -0.15 -0.13 0.00 -1.82 0.00 0.00 55.36 53.59 1lta s GLN 16 Cb 0.04 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.38 1lta s GLN 16 CO 0.16 -0.39 0.30 0.42 -1.32 0.00 0.00 175.29 174.46 1lta s ILE 17 N -2.54 5.27 -0.13 3.63 -1.09 -1.26 -0.97 121.20 124.12 1lta s ILE 17 Ca -0.01 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1lta s ILE 17 Cb -0.01 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1lta s ILE 17 CO -0.04 0.47 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.69 1lta s TYR 18 N -0.13 2.80 -0.30 3.97 1.51 -0.33 -4.99 117.35 119.89 1lta s TYR 18 Ca 0.18 -0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 55.46 1lta s TYR 18 Cb -0.14 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1lta s TYR 18 CO 0.06 -0.23 0.19 0.99 -1.11 0.00 0.00 175.55 175.46 1lta s THR 19 N 0.36 5.12 -0.16 -0.71 2.01 -1.26 -0.81 115.64 120.19 1lta s THR 19 Ca -0.11 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 1lta s THR 19 Cb -0.16 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1lta s THR 19 CO 0.06 0.14 -0.32 -0.38 -0.69 0.00 0.00 174.62 173.43 1lta n ILE 20 N 5.05 1.47 -3.79 1.82 2.08 -0.05 -5.00 119.36 120.94 1lta n ILE 20 Ca -0.14 0.13 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 1lta n ILE 20 Cb 0.51 -2.25 0.02 0.00 -0.75 0.00 0.00 39.64 37.17 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 -4.35 -3.15 -3.72 4.38 5.15 0.94 -4.97 115.26 109.53 1lta n ASN 21 Ca -0.15 -1.01 -0.08 0.00 -0.60 0.00 0.00 54.58 52.75 1lta n ASN 21 Cb 0.49 -3.26 -0.02 0.00 -0.53 0.00 0.00 39.78 36.46 1lta n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lta s ASP 22 N -3.87 -0.32 0.56 1.20 2.15 -0.80 -4.92 116.67 110.67 1lta s ASP 22 Ca 0.27 -0.39 -0.06 0.00 0.43 0.00 0.00 52.55 52.80 1lta s ASP 22 Cb -0.10 0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1lta s ASP 22 CO 0.87 -1.14 0.88 -1.59 -0.17 0.00 0.00 175.17 174.02 1lta s LYS 23 N -3.72 3.14 0.21 4.34 -2.85 -1.26 -0.15 119.74 119.46 1lta s LYS 23 Ca 0.09 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.86 1lta s LYS 23 Cb -0.04 -2.29 -0.08 0.00 -2.06 0.00 0.00 37.83 33.36 1lta s LYS 23 CO 0.01 -0.55 1.08 0.42 0.10 0.00 0.00 175.35 176.41 1lta s ILE 24 N -2.93 3.78 -0.14 3.79 1.01 -1.26 -4.70 121.20 120.74 1lta s ILE 24 Ca 0.52 1.63 -0.21 0.00 0.00 0.00 0.00 60.65 62.58 1lta s ILE 24 Cb -0.10 -4.04 -0.19 0.00 0.01 0.00 0.00 42.46 38.14 1lta s ILE 24 CO 0.46 0.32 0.48 0.25 0.00 0.00 0.00 174.94 176.44 1lta h LEU 25 N 4.67 0.00 -8.29 2.97 5.85 -1.30 -3.49 115.31 115.73 1lta h LEU 25 Ca -0.45 -0.67 -0.30 0.00 0.84 0.00 0.00 57.88 57.30 1lta h LEU 25 Cb 1.21 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.04 1lta h LEU 25 CO 0.70 0.97 -0.74 -0.94 -0.34 0.00 0.00 178.44 178.10 1lta s SER 26 N -6.17 1.13 -0.06 1.25 1.04 -1.12 -4.99 113.70 104.78 1lta s SER 26 Ca -0.17 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1lta s SER 26 Cb -0.01 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1lta s SER 26 CO 0.52 -0.22 -0.10 -0.47 0.98 0.00 0.00 173.24 173.95 1lta s TYR 27 N -1.79 1.28 -0.03 5.02 5.04 -1.26 -1.62 117.35 123.99 1lta s TYR 27 Ca -0.04 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.18 1lta s TYR 27 Cb -0.07 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.25 1lta s TYR 27 CO 0.00 -0.27 -0.19 0.99 -1.34 0.00 0.00 175.55 174.73 1lta s THR 28 N 0.80 1.58 -0.06 4.34 2.01 0.12 -5.01 115.64 119.42 1lta s THR 28 Ca -0.12 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1lta s THR 28 Cb -0.15 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1lta s THR 28 CO 0.02 0.45 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.60 1lta s GLU 29 N -0.21 1.51 -0.05 4.92 2.12 -1.26 -1.67 118.70 124.06 1lta s GLU 29 Ca 0.01 -0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.06 1lta s GLU 29 Cb -0.10 -1.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.97 1lta s GLU 29 CO 0.01 -0.02 -0.22 0.45 -0.54 0.00 0.00 175.26 174.94 1lta s SER 30 N 0.79 3.33 -0.12 -1.70 0.15 -0.50 -4.99 113.70 110.65 1lta s SER 30 Ca -0.12 -0.43 0.15 0.00 0.70 0.00 0.00 55.95 56.25 1lta s SER 30 Cb -0.15 -0.80 0.49 0.00 -1.71 0.00 0.00 66.02 63.85 1lta s SER 30 CO 0.02 0.27 1.40 1.15 1.20 0.00 0.00 173.24 177.29 1lta n MET 31 N 2.77 3.08 -2.69 5.44 0.00 -1.26 -2.57 117.12 121.89 1lta n MET 31 Ca -0.17 -2.62 -0.36 0.00 0.00 0.00 0.00 57.70 54.55 1lta n MET 31 Cb 0.52 -1.69 -0.06 0.00 0.00 0.00 0.00 33.22 31.99 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 -2.19 3.11 0.06 3.17 0.00 -1.26 -4.84 121.76 119.81 1lta s ALA 32 Ca 0.38 0.57 -0.35 0.00 0.00 0.00 0.00 51.96 52.56 1lta s ALA 32 Cb 0.28 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 20.05 1lta s ALA 32 CO 0.13 0.00 1.64 0.41 0.00 0.00 0.00 175.76 177.94 1lta n GLY 33 N 0.18 1.13 3.27 0.00 0.00 -1.26 -0.69 105.19 107.82 1lta n GLY 33 Ca 0.04 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 4.33 0.00 -2.54 1.61 4.76 -1.26 -4.81 118.16 120.24 1lta n LYS 34 Ca 0.19 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.48 1lta n LYS 34 Cb 0.27 -2.57 0.02 0.00 -1.84 0.00 0.00 35.03 30.91 1lta n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lta n ARG 35 N -2.00 2.31 -2.67 1.97 5.12 0.13 -4.95 116.66 116.57 1lta n ARG 35 Ca 0.00 -3.83 -0.42 0.00 -1.93 0.00 0.00 57.85 51.67 1lta n ARG 35 Cb 0.00 -1.77 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 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 -3.43 3.30 0.32 5.56 8.01 -1.18 -4.20 118.70 127.07 1lta s GLU 36 Ca 0.37 -0.75 -0.16 0.00 0.01 0.00 0.00 54.97 54.44 1lta s GLU 36 Cb 0.41 -4.53 0.03 0.00 -4.31 0.00 0.00 34.13 25.73 1lta s GLU 36 CO -0.05 -2.04 0.68 0.00 0.01 0.00 0.00 175.26 173.87 1lta s MET 37 N 4.81 1.92 -0.01 1.61 0.23 -1.06 -4.24 119.30 122.56 1lta s MET 37 Ca 0.34 -1.26 0.06 0.00 -1.03 0.00 0.00 55.69 53.79 1lta s MET 37 Cb -0.08 0.58 -0.02 0.00 -1.53 0.00 0.00 34.83 33.78 1lta s MET 37 CO 0.06 -0.87 -0.19 0.08 -2.03 0.00 0.00 175.02 172.06 1lta s VAL 38 N -3.28 1.53 -0.05 5.16 1.01 -1.23 -1.41 120.40 122.12 1lta s VAL 38 Ca 0.16 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1lta s VAL 38 Cb -0.04 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1lta s VAL 38 CO 0.10 0.42 -0.19 -0.63 0.00 0.00 0.00 175.10 174.81 1lta s ILE 39 N -0.46 1.58 0.08 2.22 1.01 -0.67 -0.74 121.20 124.21 1lta s ILE 39 Ca 0.07 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1lta s ILE 39 Cb -0.07 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1lta s ILE 39 CO -0.01 0.45 -0.20 0.27 0.00 0.00 0.00 174.94 175.46 1lta s ILE 40 N 0.10 1.60 0.13 2.92 -4.36 -0.63 -0.71 121.20 120.25 1lta s ILE 40 Ca -0.06 -1.38 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 1lta s ILE 40 Cb -0.13 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 1lta s ILE 40 CO 0.03 0.01 -0.11 0.42 0.24 0.00 0.00 174.94 175.52 1lta s THR 41 N -1.04 1.18 0.24 8.37 -4.23 -0.64 -1.37 115.64 118.15 1lta s THR 41 Ca 0.06 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 1lta s THR 41 Cb -0.09 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1lta s THR 41 CO 0.03 -0.60 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.07 1lta s PHE 42 N -2.76 2.57 0.29 3.99 0.08 -0.72 -0.80 117.98 120.64 1lta s PHE 42 Ca 0.12 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1lta s PHE 42 Cb -0.01 -1.17 0.71 0.00 -0.57 0.00 0.00 43.02 41.97 1lta s PHE 42 CO 0.01 0.61 1.75 -0.22 -0.10 0.00 0.00 175.22 177.27 1lta h LYS 43 N 2.32 0.63 0.00 0.44 3.64 -1.90 0.43 116.57 122.13 1lta h LYS 43 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1lta h LYS 43 Cb 1.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1lta h LYS 43 CO 0.58 0.41 0.00 -1.13 -2.27 0.00 0.00 179.45 177.04 1lta n SER 44 N -4.86 0.30 0.00 4.20 3.41 -1.26 -4.88 113.62 110.54 1lta n SER 44 Ca 0.22 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1lta n SER 44 Cb 0.57 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1lta n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lta n GLY 45 N -0.91 2.79 3.76 5.00 0.00 0.14 -5.08 105.19 110.89 1lta n GLY 45 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.46 4.35 -0.08 1.61 2.02 -1.26 -4.79 118.70 120.09 1lta s GLU 46 Ca 0.00 2.20 0.03 0.00 0.02 0.00 0.00 54.97 57.22 1lta s GLU 46 Cb 0.00 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1lta s GLU 46 CO 0.00 -0.23 -0.17 0.99 0.02 0.00 0.00 175.26 175.87 1lta s THR 47 N -0.76 2.74 0.05 3.63 2.01 -1.26 -1.75 115.64 120.30 1lta s THR 47 Ca 0.52 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1lta s THR 47 Cb -0.40 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1lta s THR 47 CO 0.49 0.56 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.54 1lta s PHE 48 N -0.13 0.72 0.21 4.92 0.08 -0.47 -4.06 117.98 119.27 1lta s PHE 48 Ca -0.02 -0.55 0.10 0.00 0.12 0.00 0.00 56.93 56.57 1lta s PHE 48 Cb -0.14 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.84 1lta s PHE 48 CO 0.04 -0.08 -0.19 1.14 -0.10 0.00 0.00 175.22 176.03 1lta s GLN 49 N -1.87 1.44 -0.24 0.44 -2.07 -0.23 -1.60 119.66 115.52 1lta s GLN 49 Ca -0.07 -1.57 -0.09 0.00 -1.82 0.00 0.00 55.36 51.80 1lta s GLN 49 Cb -0.08 -1.48 -0.04 0.00 -1.09 0.00 0.00 33.01 30.31 1lta s GLN 49 CO -0.00 0.29 0.13 0.08 -1.32 0.00 0.00 175.29 174.47 1lta s VAL 50 N -2.35 5.01 0.50 3.63 1.01 0.08 -1.83 120.40 126.45 1lta s VAL 50 Ca 0.22 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 1lta s VAL 50 Cb -0.05 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 1lta s VAL 50 CO 0.10 0.33 1.33 -1.61 0.00 0.00 0.00 175.10 175.25 1lta s GLU 51 N 1.28 3.42 0.20 2.72 2.02 -1.26 -3.51 118.70 123.57 1lta s GLU 51 Ca 0.06 2.17 -0.32 0.00 0.02 0.00 0.00 54.97 56.90 1lta s GLU 51 Cb -0.14 -2.40 -0.14 0.00 0.10 0.00 0.00 34.13 31.55 1lta s GLU 51 CO 0.06 -0.94 1.43 0.28 0.02 0.00 0.00 175.26 176.10 1lta n VAL 52 N -0.69 0.63 -1.66 2.63 0.31 -1.26 -4.93 118.33 113.36 1lta n VAL 52 Ca 0.08 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.85 1lta n VAL 52 Cb 0.45 -1.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.99 1lta n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1lta n PRO 53 N 2.41 1.61 -1.85 5.55 -0.02 -1.26 -4.98 135.00 136.46 1lta n PRO 53 Ca 0.14 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1lta n PRO 53 Cb 0.30 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.98 1.70 0.34 -1.23 0.00 -1.26 -5.03 105.19 100.69 1lta n GLY 54 Ca 0.09 -1.09 0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.61 0.00 0.08 1.61 0.02 -2.03 -0.10 113.55 113.74 1lta h SER 55 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1lta h SER 55 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1lta h SER 55 CO 0.13 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.81 1lta n GLN 56 N -4.15 1.02 -3.81 3.45 0.00 -1.26 -4.79 117.38 107.84 1lta n GLN 56 Ca 0.03 -0.16 -0.35 0.00 0.00 0.00 0.00 57.00 56.52 1lta n GLN 56 Cb 0.37 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.04 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 -2.09 3.42 0.91 2.61 3.76 -0.05 -5.09 115.29 118.76 1lta s HIS 57 Ca 0.43 0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 55.55 1lta s HIS 57 Cb 0.22 -2.09 0.14 0.00 1.11 0.00 0.00 32.58 31.95 1lta s HIS 57 CO 0.38 0.37 1.15 0.96 -0.85 0.00 0.00 174.74 176.75 1lta s ILE 58 N 0.04 1.99 0.14 0.60 -4.36 -1.26 -4.88 121.20 113.48 1lta s ILE 58 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.34 1lta s ILE 58 Cb -0.11 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.85 1lta s ILE 58 CO -0.00 0.00 1.68 -0.78 0.24 0.00 0.00 174.94 176.07 1lta h ASP 59 N -1.49 0.66 -0.27 4.36 3.58 -1.99 -2.38 116.42 118.89 1lta h ASP 59 Ca -0.50 -0.19 0.08 0.00 0.42 0.00 0.00 57.03 56.84 1lta h ASP 59 Cb 1.33 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1lta h ASP 59 CO 0.61 0.68 0.23 0.77 -2.88 0.00 0.00 179.24 178.64 1lta h SER 60 N 0.61 0.00 0.83 2.28 4.64 -2.02 -1.94 113.55 117.95 1lta h SER 60 Ca 0.15 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1lta h SER 60 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1lta h SER 60 CO -0.01 0.00 -0.81 1.56 -0.87 0.00 0.00 176.83 176.70 1lta h GLN 61 N 0.00 0.00 -0.53 4.77 4.20 -1.80 -3.13 115.11 118.62 1lta h GLN 61 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1lta h GLN 61 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1lta h GLN 61 CO -0.00 0.81 0.30 0.87 -0.67 0.00 0.00 178.83 180.14 1lta h LYS 62 N 0.00 0.72 -0.03 1.46 1.79 -1.21 0.13 116.57 119.43 1lta h LYS 62 Ca -0.01 -0.07 -0.23 0.00 -2.18 0.00 0.00 60.65 58.16 1lta h LYS 62 Cb 1.45 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.97 1lta h LYS 62 CO 0.11 0.52 -0.89 1.57 -1.08 0.00 0.00 179.45 179.68 1lta h LYS 63 N 0.73 0.66 0.00 3.15 2.10 -1.62 -3.26 116.57 118.33 1lta h LYS 63 Ca 0.19 -0.67 -0.06 0.00 -2.00 0.00 0.00 60.65 58.11 1lta h LYS 63 Cb 0.01 0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1lta h LYS 63 CO -0.03 1.26 -0.31 0.00 -2.00 0.00 0.00 179.45 178.37 1lta h ALA 64 N 0.41 1.09 -0.72 0.07 0.00 -1.37 -2.39 119.26 116.35 1lta h ALA 64 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1lta h ALA 64 Cb 1.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1lta h ALA 64 CO 0.18 0.39 0.29 0.82 0.00 0.00 0.00 179.25 180.93 1lta h ILE 65 N 0.00 1.25 -0.17 0.00 2.04 -0.80 -1.97 117.51 117.86 1lta h ILE 65 Ca -0.00 -0.77 -0.17 0.00 1.00 0.00 0.00 64.86 64.92 1lta h ILE 65 Cb 0.75 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1lta h ILE 65 CO 0.04 0.31 -0.59 -0.33 0.00 0.00 0.00 178.15 177.58 1lta h GLU 66 N 1.03 0.55 -0.53 2.37 4.39 -1.50 -2.47 114.58 118.42 1lta h GLU 66 Ca 0.24 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1lta h GLU 66 Cb 0.20 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1lta h GLU 66 CO -0.02 0.98 0.31 -0.09 -1.16 0.00 0.00 179.01 179.04 1lta h ARG 67 N 0.41 0.72 -0.63 2.33 2.43 -1.39 -2.54 114.38 115.71 1lta h ARG 67 Ca -0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1lta h ARG 67 Cb 1.15 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1lta h ARG 67 CO 0.11 0.53 0.35 1.98 -1.51 0.00 0.00 179.97 181.43 1lta h MET 68 N 0.71 0.88 -0.41 0.20 4.05 -1.16 -0.50 114.93 118.70 1lta h MET 68 Ca 0.19 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1lta h MET 68 Cb -0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1lta h MET 68 CO -0.03 0.66 0.05 0.87 0.23 0.00 0.00 176.91 178.68 1lta h LYS 69 N 0.86 0.62 -0.54 0.39 1.57 -1.32 -0.27 116.57 117.89 1lta h LYS 69 Ca 0.22 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1lta h LYS 69 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1lta h LYS 69 CO -0.04 0.61 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.90 1lta h ASP 70 N 0.60 1.03 -0.43 0.86 3.32 -0.90 -2.43 116.42 118.47 1lta h ASP 70 Ca 0.13 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1lta h ASP 70 Cb 0.31 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1lta h ASP 70 CO 0.01 1.15 0.15 0.74 -1.72 0.00 0.00 179.24 179.56 1lta h THR 71 N 0.90 1.21 -0.22 0.35 2.02 -0.54 -2.88 112.91 113.76 1lta h THR 71 Ca 0.14 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1lta h THR 71 Cb 0.68 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1lta h THR 71 CO 0.05 0.25 -0.16 -0.07 0.37 0.00 0.00 175.52 175.96 1lta h LEU 72 N 0.55 0.35 0.27 2.58 3.38 -1.01 -0.08 115.31 121.35 1lta h LEU 72 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lta h LEU 72 Cb 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1lta h LEU 72 CO -0.01 0.54 -0.13 -0.09 0.09 0.00 0.00 178.44 178.85 1lta h ARG 73 N 0.34 -0.34 -0.02 1.13 2.43 -1.23 -1.05 114.38 115.63 1lta h ARG 73 Ca 0.06 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1lta h ARG 73 Cb 0.49 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1lta h ARG 73 CO 0.03 -0.10 -0.66 0.97 -1.51 0.00 0.00 179.97 178.70 1lta h ILE 74 N -0.55 1.45 -0.63 1.20 6.09 -1.43 -1.06 117.51 122.59 1lta h ILE 74 Ca -0.04 -2.22 0.00 0.00 -1.37 0.00 0.00 64.86 61.23 1lta h ILE 74 Cb 0.40 2.19 -0.03 0.00 0.47 0.00 0.00 36.82 39.85 1lta h ILE 74 CO 0.06 0.64 0.39 0.74 -3.07 0.00 0.00 178.15 176.92 1lta h THR 75 N 0.05 1.17 0.14 2.19 2.02 -0.96 -2.35 112.91 115.17 1lta h THR 75 Ca -0.01 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1lta h THR 75 Cb 1.18 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1lta h THR 75 CO 0.09 0.17 -0.07 0.22 0.37 0.00 0.00 175.52 176.31 1lta h TYR 76 N 0.85 -0.17 -0.33 3.16 3.20 -0.76 -2.31 116.97 120.61 1lta h TYR 76 Ca 0.23 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1lta h TYR 76 Cb -0.06 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1lta h TYR 76 CO -0.02 0.05 0.22 -0.07 -1.64 0.00 0.00 178.16 176.70 1lta h LEU 77 N -0.37 0.32 -1.82 2.82 3.38 -1.15 -2.09 115.31 116.39 1lta h LEU 77 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lta h LEU 77 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1lta h LEU 77 CO 0.03 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.14 1lta n THR 78 N -4.49 0.15 -2.45 0.22 -2.24 -0.89 -4.95 114.28 99.63 1lta n THR 78 Ca 0.03 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 1lta n THR 78 Cb 0.12 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.13 -1.93 -2.24 -0.78 1.02 -0.79 -4.97 120.64 112.08 1lta n GLU 79 Ca 0.16 0.98 -0.40 0.00 -0.02 0.00 0.00 57.16 57.89 1lta n GLU 79 Cb 0.54 -5.64 -0.02 0.00 -0.02 0.00 0.00 31.44 26.30 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 -3.03 3.00 0.19 2.62 2.01 -0.97 -4.75 115.64 114.71 1lta s THR 80 Ca 0.03 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.68 1lta s THR 80 Cb -0.01 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1lta s THR 80 CO 0.03 0.19 1.07 -0.54 -0.69 0.00 0.00 174.62 174.69 1lta s LYS 81 N -1.88 4.63 -0.05 4.92 1.02 -1.26 -4.38 119.74 122.73 1lta s LYS 81 Ca 0.51 1.69 -0.16 0.00 0.02 0.00 0.00 55.97 58.03 1lta s LYS 81 Cb -0.35 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1lta s LYS 81 CO 0.46 0.15 0.43 0.42 -0.92 0.00 0.00 175.35 175.89 1lta s ILE 82 N -0.46 5.10 -0.05 2.17 1.01 0.79 -4.51 121.20 125.25 1lta s ILE 82 Ca 0.48 0.87 -0.02 0.00 0.00 0.00 0.00 60.65 61.97 1lta s ILE 82 Cb -0.29 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1lta s ILE 82 CO 0.35 0.47 -0.04 -0.78 0.00 0.00 0.00 174.94 174.95 1lta h ASP 83 N 5.60 0.00 -4.00 3.58 3.58 -1.47 0.28 116.42 124.00 1lta h ASP 83 Ca -0.47 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.66 1lta h ASP 83 Cb 1.20 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 1lta h ASP 83 CO 0.68 0.27 -0.71 -0.54 -2.88 0.00 0.00 179.24 176.05 1lta s LYS 84 N -1.38 1.05 0.00 0.28 1.02 -1.23 -0.87 119.74 118.62 1lta s LYS 84 Ca -0.03 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.55 1lta s LYS 84 Cb 0.00 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1lta s LYS 84 CO 0.04 0.07 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.91 1lta s LEU 85 N -3.16 2.06 -0.20 3.17 1.43 0.01 -1.93 118.68 120.06 1lta s LEU 85 Ca 0.17 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1lta s LEU 85 Cb 0.03 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 1lta s LEU 85 CO 0.00 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1lta s VAL 87 N 1.07 1.70 -0.09 0.00 -7.23 -0.14 -1.14 120.40 114.56 1lta s VAL 87 Ca 0.02 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 1lta s VAL 87 Cb -0.14 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1lta s VAL 87 CO 0.01 -0.17 0.84 0.26 -0.31 0.00 0.00 175.10 175.74 1lta s TRP 88 N -1.50 3.53 -2.03 2.82 0.51 0.15 -1.50 118.94 120.92 1lta s TRP 88 Ca 0.09 1.39 0.17 0.00 -2.12 0.00 0.00 56.10 55.63 1lta s TRP 88 Cb -0.08 -2.99 0.49 0.00 -0.81 0.00 0.00 33.47 30.07 1lta s TRP 88 CO 0.05 -0.09 1.41 0.27 -0.51 0.00 0.00 176.95 178.08 1lta n ASN 89 N 4.48 2.91 -1.91 2.95 0.23 0.75 -2.13 115.26 122.55 1lta n ASN 89 Ca 0.04 -1.99 -0.11 0.00 -0.53 0.00 0.00 54.58 51.99 1lta n ASN 89 Cb 0.50 -0.35 0.25 0.00 -2.08 0.00 0.00 39.78 38.10 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 1.10 4.13 -4.10 0.53 6.94 -1.26 -4.91 115.26 117.69 1lta n ASN 90 Ca 0.18 -3.41 -0.16 0.00 -0.02 0.00 0.00 54.58 51.17 1lta n ASN 90 Cb 0.46 -0.75 -0.12 0.00 -2.36 0.00 0.00 39.78 37.01 1lta n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lta s LYS 91 N -3.12 0.66 -0.15 -3.83 3.01 -1.26 -5.09 119.74 109.96 1lta s LYS 91 Ca 0.54 -0.76 0.00 0.00 -1.01 0.00 0.00 55.97 54.74 1lta s LYS 91 Cb 0.44 -0.55 0.02 0.00 -1.01 0.00 0.00 37.83 36.73 1lta s LYS 91 CO 0.11 0.12 -0.15 0.99 0.51 0.00 0.00 175.35 176.92 1lta s THR 92 N -1.16 1.66 0.97 2.17 2.01 -1.26 -2.33 115.64 117.70 1lta s THR 92 Ca -0.05 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1lta s THR 92 Cb -0.09 -1.54 0.18 0.00 0.01 0.00 0.00 72.50 71.06 1lta s THR 92 CO 0.01 0.47 1.11 -2.16 -0.69 0.00 0.00 174.62 173.36 1lta s PRO 93 N 1.43 0.55 0.76 4.92 0.04 -1.26 -5.08 135.00 136.37 1lta s PRO 93 Ca 0.05 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1lta s PRO 93 Cb -0.13 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.76 1lta s PRO 93 CO -0.11 -2.88 1.13 0.09 0.04 0.00 0.00 177.00 175.28 1lta n ASN 94 N -4.38 0.99 -4.50 6.66 5.03 -0.98 -4.53 115.26 113.55 1lta n ASN 94 Ca 0.09 0.65 -0.34 0.00 0.87 0.00 0.00 54.58 55.85 1lta n ASN 94 Cb 0.53 -1.48 -0.12 0.00 -1.02 0.00 0.00 39.78 37.68 1lta n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lta s SER 95 N -1.85 4.77 -0.10 6.41 0.15 -0.91 -1.07 113.70 121.10 1lta s SER 95 Ca 0.75 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 1lta s SER 95 Cb -0.32 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1lta s SER 95 CO 0.49 0.17 1.04 -0.63 1.20 0.00 0.00 173.24 175.52 1lta s ILE 96 N 0.34 4.68 -0.23 6.45 1.01 -0.76 -0.67 121.20 132.02 1lta s ILE 96 Ca -0.04 1.96 0.05 0.00 0.00 0.00 0.00 60.65 62.62 1lta s ILE 96 Cb -0.14 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.89 1lta s ILE 96 CO 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 174.94 174.80 1lta n ALA 97 N 5.12 1.49 -3.56 9.38 0.00 -0.29 -4.86 120.51 127.79 1lta n ALA 97 Ca 0.09 -1.07 -0.16 0.00 0.00 0.00 0.00 53.44 52.30 1lta n ALA 97 Cb 0.48 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.48 -1.79 0.09 0.00 0.00 -1.09 -4.97 121.76 111.51 1lta s ALA 98 Ca -0.28 1.59 0.06 0.00 0.00 0.00 0.00 51.96 53.33 1lta s ALA 98 Cb 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1lta s ALA 98 CO 0.60 -0.35 -0.16 0.96 0.00 0.00 0.00 175.76 176.80 1lta s ILE 99 N -0.62 1.34 0.11 0.00 -4.36 -1.26 -1.32 121.20 115.08 1lta s ILE 99 Ca -0.06 -1.43 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 1lta s ILE 99 Cb -0.02 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1lta s ILE 99 CO 0.06 -0.19 -0.15 -0.94 0.24 0.00 0.00 174.94 173.97 1lta s SER 100 N -1.87 1.95 0.08 4.36 1.04 -0.81 -5.00 113.70 113.44 1lta s SER 100 Ca 0.02 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1lta s SER 100 Cb -0.10 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 1lta s SER 100 CO 0.03 -0.11 -0.11 -0.04 0.98 0.00 0.00 173.24 173.99 1lta s MET 101 N -2.35 0.76 -0.05 4.02 -1.94 -1.26 -1.26 119.30 117.23 1lta s MET 101 Ca 0.06 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 53.00 1lta s MET 101 Cb -0.07 -0.58 0.01 0.00 2.01 0.00 0.00 34.83 36.20 1lta s MET 101 CO 0.03 0.11 0.13 0.21 -0.01 0.00 0.00 175.02 175.49 1lta s LYS 102 N -2.13 0.15 0.00 2.03 2.20 -1.26 -4.94 119.74 115.79 1lta s LYS 102 Ca -0.01 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1lta s LYS 102 Cb -0.07 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1lta s LYS 102 CO 0.01 -0.02 0.00 0.09 -0.36 0.00 0.00 175.35 175.07