#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s VAL 2 N 0.00 4.88 0.55 3.17 0.11 -1.26 -0.86 120.40 126.99 2wrn s VAL 2 Ca 0.00 0.34 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2wrn s VAL 2 Cb 0.00 -4.11 0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2wrn s VAL 2 CO 0.00 -0.42 0.39 -0.54 -3.33 0.00 0.00 175.10 171.20 2wrn s LYS 3 N 2.71 2.24 -0.58 1.54 1.02 -1.03 -1.37 119.74 124.26 2wrn s LYS 3 Ca 0.23 -2.06 0.06 0.00 0.02 0.00 0.00 55.97 54.21 2wrn s LYS 3 Cb -0.14 -2.06 0.20 0.00 -0.52 0.00 0.00 37.83 35.31 2wrn s LYS 3 CO 0.16 -0.63 0.54 -0.89 -0.92 0.00 0.00 175.35 173.61 2wrn n ILE 4 N -1.75 0.91 -1.11 2.17 5.41 0.29 -2.16 119.36 123.11 2wrn n ILE 4 Ca -0.03 -4.55 0.00 0.00 1.00 0.00 0.00 62.75 59.18 2wrn n ILE 4 Cb 0.64 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 2wrn n ILE 4 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2wrn n ARG 5 N 1.75 3.27 -4.24 0.38 1.85 -0.90 -3.56 116.66 115.19 2wrn n ARG 5 Ca 0.25 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.95 2wrn n ARG 5 Cb 0.42 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.73 2wrn n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wrn s LEU 6 N 0.00 2.50 -0.10 2.89 1.02 -1.26 -1.48 118.68 122.25 2wrn s LEU 6 Ca 0.00 -0.96 0.03 0.00 0.02 0.00 0.00 54.13 53.22 2wrn s LEU 6 Cb 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 46.19 45.84 2wrn s LEU 6 CO 0.00 -0.29 -0.20 0.00 0.02 0.00 0.00 176.35 175.88 2wrn s ALA 7 N -3.04 1.92 -0.90 4.21 0.00 -1.06 -4.73 121.76 118.16 2wrn s ALA 7 Ca 0.14 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 2wrn s ALA 7 Cb 0.01 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2wrn s ALA 7 CO 0.01 0.14 1.52 0.50 0.00 0.00 0.00 175.76 177.93 2wrn s ARG 8 N 0.59 3.25 0.49 0.00 3.52 -1.26 -1.89 118.95 123.66 2wrn s ARG 8 Ca -0.14 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 2wrn s ARG 8 Cb -0.17 -4.95 0.03 0.00 -1.56 0.00 0.00 34.95 28.31 2wrn s ARG 8 CO 0.04 -2.42 0.67 -0.06 -0.81 0.00 0.00 175.30 172.73 2wrn s PHE 9 N 6.29 2.52 0.00 5.12 0.08 -1.26 -4.96 117.98 125.77 2wrn s PHE 9 Ca 0.49 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.17 2wrn s PHE 9 Cb -0.04 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2wrn s PHE 9 CO -0.00 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 174.82 2wrn n GLY 10 N -2.07 -0.45 0.00 4.36 0.00 -1.26 -1.95 105.19 103.82 2wrn n GLY 10 Ca 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2wrn n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrn n SER 11 N -0.69 0.00 -4.81 1.61 7.64 -1.10 -4.68 113.62 111.59 2wrn n SER 11 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2wrn n SER 11 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2wrn n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wrn s LYS 12 N 0.00 4.27 0.00 1.43 2.20 -1.26 -3.47 119.74 122.91 2wrn s LYS 12 Ca 0.00 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 2wrn s LYS 12 Cb 0.00 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2wrn s LYS 12 CO 0.00 0.43 0.00 0.72 -0.36 0.00 0.00 175.35 176.14 2wrn n HIS 13 N 0.86 0.00 -3.14 4.03 8.25 -1.26 -4.77 115.22 119.19 2wrn n HIS 13 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.09 2wrn n HIS 13 Cb 0.51 -0.86 -0.04 0.00 1.12 0.00 0.00 29.99 30.73 2wrn n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wrn n ASN 14 N 0.00 5.10 -4.69 0.41 5.15 -1.23 -5.08 115.26 114.94 2wrn n ASN 14 Ca 0.00 -3.50 -0.31 0.00 -0.60 0.00 0.00 54.58 50.18 2wrn n ASN 14 Cb 0.00 -0.90 0.15 0.00 -0.53 0.00 0.00 39.78 38.50 2wrn n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wrn s PRO 15 N -2.91 1.19 -0.23 1.20 0.02 -1.26 -2.70 135.00 130.30 2wrn s PRO 15 Ca 0.38 1.38 0.08 0.00 0.02 0.00 0.00 61.00 62.87 2wrn s PRO 15 Cb 0.14 -1.76 0.27 0.00 0.02 0.00 0.00 34.50 33.17 2wrn s PRO 15 CO 0.00 -2.46 1.20 0.72 -0.33 0.00 0.00 177.00 176.13 2wrn n HIS 16 N -4.10 -1.40 -0.51 6.54 8.25 -0.82 -4.64 115.22 118.53 2wrn n HIS 16 Ca 0.10 -1.16 -0.17 0.00 -0.26 0.00 0.00 57.72 56.23 2wrn n HIS 16 Cb 0.53 1.24 0.01 0.00 1.12 0.00 0.00 29.99 32.89 2wrn n HIS 16 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wrn n TYR 17 N -1.01 -1.94 -3.88 4.41 4.02 -1.12 -4.38 117.16 113.25 2wrn n TYR 17 Ca -0.12 0.08 -0.28 0.00 -0.01 0.00 0.00 57.90 57.57 2wrn n TYR 17 Cb 0.75 -0.71 -0.16 0.00 -0.02 0.00 0.00 39.34 39.19 2wrn n TYR 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2wrn s ARG 18 N -0.72 1.39 -0.02 -0.72 3.52 -0.79 -2.47 118.95 119.14 2wrn s ARG 18 Ca 0.22 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 2wrn s ARG 18 Cb -0.15 -1.95 -0.07 0.00 -1.56 0.00 0.00 34.95 31.22 2wrn s ARG 18 CO 0.35 -0.43 1.77 0.42 -0.81 0.00 0.00 175.30 176.61 2wrn s ILE 19 N 1.65 3.36 0.23 4.11 -1.09 0.33 -2.57 121.20 127.23 2wrn s ILE 19 Ca 0.01 0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.71 2wrn s ILE 19 Cb -0.15 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.46 2wrn s ILE 19 CO -0.08 -0.04 0.54 0.54 -1.23 0.00 0.00 174.94 174.68 2wrn s VAL 20 N 4.18 0.01 -0.09 2.92 0.11 -0.55 -2.24 120.40 124.74 2wrn s VAL 20 Ca 0.79 -1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.68 2wrn s VAL 20 Cb -0.37 -1.88 -0.05 0.00 -1.53 0.00 0.00 36.38 32.55 2wrn s VAL 20 CO 0.34 -0.06 0.24 0.54 -3.33 0.00 0.00 175.10 172.83 2wrn s VAL 21 N -3.93 5.34 -0.29 2.04 0.11 -1.16 -2.13 120.40 120.38 2wrn s VAL 21 Ca 0.14 0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.40 2wrn s VAL 21 Cb -0.02 -3.52 0.14 0.00 -1.53 0.00 0.00 36.38 31.45 2wrn s VAL 21 CO 0.03 0.58 1.08 0.28 -3.33 0.00 0.00 175.10 173.74 2wrn s THR 22 N -0.82 0.00 -0.86 5.04 -1.32 -0.92 -1.09 115.64 115.67 2wrn s THR 22 Ca 0.17 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.42 2wrn s THR 22 Cb -0.13 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.68 2wrn s THR 22 CO 0.06 0.00 2.27 -0.67 -2.21 0.00 0.00 174.62 174.08 2wrn n ASP 23 N 2.50 1.27 0.00 8.08 -0.08 -1.26 -2.48 116.55 124.58 2wrn n ASP 23 Ca -0.14 -1.66 0.00 0.00 -1.51 0.00 0.00 54.79 51.48 2wrn n ASP 23 Cb 0.56 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.48 2wrn n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wrn n ALA 24 N 17.46 0.00 0.34 -1.67 0.00 -0.04 -1.01 120.51 135.58 2wrn n ALA 24 Ca 0.46 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.11 2wrn n ALA 24 Cb 0.42 0.00 1.11 0.00 0.00 0.00 0.00 19.45 20.98 2wrn n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn h ARG 25 N 0.00 0.00 -6.36 0.00 3.08 -1.87 -3.44 114.38 105.79 2wrn h ARG 25 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2wrn h ARG 25 Cb 0.00 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.23 2wrn h ARG 25 CO 0.00 0.00 -0.64 0.54 -1.07 0.00 0.00 179.97 178.80 2wrn n ARG 26 N -3.06 -2.20 -3.65 0.04 5.12 -0.18 -4.95 116.66 107.77 2wrn n ARG 26 Ca -0.03 -0.64 -0.37 0.00 -1.93 0.00 0.00 57.85 54.88 2wrn n ARG 26 Cb 0.15 -1.59 -0.06 0.00 -1.16 0.00 0.00 32.46 29.81 2wrn n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wrn s LYS 27 N -3.56 3.72 0.00 5.56 -2.85 -1.26 -4.96 119.74 116.38 2wrn s LYS 27 Ca 0.46 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 2wrn s LYS 27 Cb -0.08 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.51 2wrn s LYS 27 CO 0.49 0.70 0.16 -2.13 0.10 0.00 0.00 175.35 174.67 2wrn n ARG 28 N 1.69 0.00 0.00 1.78 0.63 -1.26 0.23 116.66 119.72 2wrn n ARG 28 Ca -0.15 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2wrn n ARG 28 Cb 0.53 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.06 2wrn n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wrn n ASP 29 N -0.54 0.17 -4.87 6.15 10.43 -1.26 -4.71 116.55 121.92 2wrn n ASP 29 Ca 0.00 -1.10 -0.31 0.00 2.57 0.00 0.00 54.79 55.95 2wrn n ASP 29 Cb 0.00 -0.09 -0.01 0.00 1.84 0.00 0.00 41.12 42.86 2wrn n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wrn s GLY 30 N -1.14 1.79 0.07 0.44 0.00 0.61 -4.94 107.32 104.15 2wrn s GLY 30 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2wrn s GLY 30 CO 0.00 0.14 0.72 1.17 0.00 0.00 0.00 173.10 175.13 2wrn n LYS 31 N -2.13 0.00 -2.94 2.90 4.81 -1.26 -4.74 118.16 114.79 2wrn n LYS 31 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 2wrn n LYS 31 Cb 0.54 -1.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.47 2wrn n LYS 31 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2wrn n TYR 32 N 0.75 0.28 0.00 5.64 4.11 -1.26 -4.80 117.16 121.89 2wrn n TYR 32 Ca 0.16 -0.93 0.00 0.00 -0.00 0.00 0.00 57.90 57.13 2wrn n TYR 32 Cb 0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 2wrn n TYR 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2wrn n ILE 33 N -0.41 0.00 -4.55 -3.48 2.08 -0.25 -5.01 119.36 107.74 2wrn n ILE 33 Ca -0.06 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.03 2wrn n ILE 33 Cb 0.23 -0.06 -0.14 0.00 -0.75 0.00 0.00 39.64 38.91 2wrn n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2wrn s GLU 34 N 0.01 1.12 0.53 0.38 2.12 -1.25 -5.02 118.70 116.60 2wrn s GLU 34 Ca 0.00 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 2wrn s GLU 34 Cb 0.00 -1.13 -0.06 0.00 0.26 0.00 0.00 34.13 33.20 2wrn s GLU 34 CO 0.00 0.29 1.04 0.21 -0.54 0.00 0.00 175.26 176.26 2wrn s LYS 35 N -0.79 3.62 0.00 4.30 2.36 -1.26 -2.97 119.74 125.00 2wrn s LYS 35 Ca 0.04 1.24 0.00 0.00 -2.55 0.00 0.00 55.97 54.71 2wrn s LYS 35 Cb -0.07 -2.07 0.00 0.00 -1.05 0.00 0.00 37.83 34.64 2wrn s LYS 35 CO 0.01 -0.57 0.00 0.44 1.55 0.00 0.00 175.35 176.78 2wrn n ILE 36 N -1.48 0.00 0.00 5.43 -5.35 -0.95 -4.94 119.36 112.06 2wrn n ILE 36 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2wrn n ILE 36 Cb 0.53 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 2wrn n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrn n GLY 37 N 1.09 1.33 2.53 3.28 0.00 -0.99 0.92 105.19 113.34 2wrn n GLY 37 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2wrn n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrn n TYR 38 N -0.81 0.49 -3.64 1.61 0.18 -1.08 0.12 117.16 114.04 2wrn n TYR 38 Ca 0.00 -1.70 -0.05 0.00 1.88 0.00 0.00 57.90 58.03 2wrn n TYR 38 Cb 0.00 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 38.65 2wrn n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2wrn s TYR 39 N -2.19 -0.86 -0.30 -3.48 5.04 -1.03 -3.65 117.35 110.88 2wrn s TYR 39 Ca 0.04 1.72 0.03 0.00 -2.44 0.00 0.00 57.07 56.42 2wrn s TYR 39 Cb -0.00 0.51 0.08 0.00 0.35 0.00 0.00 41.96 42.90 2wrn s TYR 39 CO 0.03 -0.43 -0.01 0.34 -1.34 0.00 0.00 175.55 174.14 2wrn s ASP 40 N 1.53 4.51 0.09 4.32 3.68 -1.03 -2.79 116.67 126.98 2wrn s ASP 40 Ca -0.10 -1.77 -0.22 0.00 2.13 0.00 0.00 52.55 52.59 2wrn s ASP 40 Cb -0.04 -1.50 -0.08 0.00 -1.45 0.00 0.00 42.92 39.85 2wrn s ASP 40 CO -0.18 -0.30 1.37 1.55 0.13 0.00 0.00 175.17 177.74 2wrn h PRO 41 N 7.73 -0.27 0.00 4.34 0.13 -1.90 -1.19 132.00 140.85 2wrn h PRO 41 Ca -0.11 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2wrn h PRO 41 Cb 1.03 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wrn h PRO 41 CO 0.49 -0.18 0.00 0.54 -0.23 0.00 0.00 178.00 178.62 2wrn n ARG 42 N -4.52 0.08 -3.81 0.86 1.74 -1.26 -4.77 116.66 104.98 2wrn n ARG 42 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2wrn n ARG 42 Cb 0.23 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2wrn n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wrn n LYS 43 N -0.73 -2.93 -2.92 5.56 5.02 -0.45 -4.88 118.16 116.83 2wrn n LYS 43 Ca 0.01 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 2wrn n LYS 43 Cb 0.00 -5.04 -0.05 0.00 -0.02 0.00 0.00 35.03 29.93 2wrn n LYS 43 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wrn s THR 44 N -3.04 4.72 0.00 -0.18 -4.23 -1.26 -4.67 115.64 106.98 2wrn s THR 44 Ca 0.58 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2wrn s THR 44 Cb -0.32 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.31 2wrn s THR 44 CO 0.71 -0.39 0.00 0.41 -0.54 0.00 0.00 174.62 174.81 2wrn n THR 45 N 5.73 -0.14 0.25 3.99 -1.04 -1.26 -4.79 114.28 117.03 2wrn n THR 45 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2wrn n THR 45 Cb 0.48 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 2wrn n THR 45 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wrn n PRO 46 N 2.79 0.25 -3.18 -2.82 -0.04 -1.26 -2.62 135.00 128.12 2wrn n PRO 46 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2wrn n PRO 46 Cb 0.00 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2wrn n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wrn n ASP 47 N 0.63 1.40 -0.48 3.54 2.03 -1.26 -4.91 116.55 117.49 2wrn n ASP 47 Ca 0.00 -3.04 0.07 0.00 0.52 0.00 0.00 54.79 52.34 2wrn n ASP 47 Cb 0.09 -0.62 0.19 0.00 -0.72 0.00 0.00 41.12 40.06 2wrn n ASP 47 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2wrn n TRP 48 N 0.62 0.34 0.00 -0.67 4.27 -1.08 -4.95 117.44 115.97 2wrn n TRP 48 Ca 0.25 -1.14 0.00 0.00 -3.89 0.00 0.00 57.50 52.72 2wrn n TRP 48 Cb 0.56 -0.25 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 2wrn n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2wrn n LEU 49 N -1.14 0.00 -3.98 5.67 7.94 -1.26 -2.47 117.00 121.75 2wrn n LEU 49 Ca 0.20 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.01 2wrn n LEU 49 Cb 0.75 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.62 2wrn n LEU 49 CO 0.05 0.00 -0.16 -0.75 -1.11 0.00 0.00 177.39 175.42 2wrn s LYS 50 N 0.00 0.89 -0.29 1.96 2.20 -1.24 -4.98 119.74 118.28 2wrn s LYS 50 Ca 0.00 -1.15 -0.13 0.00 -0.36 0.00 0.00 55.97 54.33 2wrn s LYS 50 Cb 0.00 0.31 0.11 0.00 -1.51 0.00 0.00 37.83 36.74 2wrn s LYS 50 CO 0.00 -0.27 0.69 0.08 -0.36 0.00 0.00 175.35 175.49 2wrn s VAL 51 N -3.93 -0.57 -0.97 4.02 1.01 -1.26 -2.63 120.40 116.07 2wrn s VAL 51 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2wrn s VAL 51 Cb 0.06 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.29 2wrn s VAL 51 CO -0.06 0.00 1.93 -0.67 0.00 0.00 0.00 175.10 176.30 2wrn n ASP 52 N 4.94 2.55 -0.00 3.32 4.64 0.26 -4.79 116.55 127.48 2wrn n ASP 52 Ca -0.15 -2.65 -0.00 0.00 -1.38 0.00 0.00 54.79 50.61 2wrn n ASP 52 Cb 0.53 -1.47 -0.00 0.00 -1.04 0.00 0.00 41.12 39.14 2wrn n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 2wrn n VAL 53 N 7.41 -0.00 -0.29 5.18 0.24 -1.26 0.14 118.33 129.74 2wrn n VAL 53 Ca 0.46 0.94 -0.05 0.00 -2.04 0.00 0.00 64.34 63.65 2wrn n VAL 53 Cb 0.45 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 2wrn n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wrn n GLU 54 N -2.63 -0.26 -0.19 7.34 -0.58 -1.26 0.12 120.64 123.18 2wrn n GLU 54 Ca 0.00 1.10 -0.09 0.00 -0.42 0.00 0.00 57.16 57.75 2wrn n GLU 54 Cb 0.00 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.26 2wrn n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrn h ARG 55 N 0.00 0.92 -0.82 3.49 2.47 -0.91 -2.87 114.38 116.66 2wrn h ARG 55 Ca 0.17 -0.28 0.15 0.00 -1.26 0.00 0.00 59.98 58.76 2wrn h ARG 55 Cb 0.35 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 2wrn h ARG 55 CO -0.70 0.92 0.54 0.00 0.56 0.00 0.00 179.97 181.30 2wrn h ALA 56 N 0.96 2.02 0.01 0.04 0.00 0.89 -2.43 119.26 120.76 2wrn h ALA 56 Ca 0.15 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2wrn h ALA 56 Cb 0.49 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wrn h ALA 56 CO 0.02 -0.25 -0.66 0.00 0.00 0.00 0.00 179.25 178.36 2wrn h ARG 57 N 0.51 0.42 -0.49 0.00 3.08 -0.70 -3.31 114.38 113.90 2wrn h ARG 57 Ca 0.41 -0.47 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2wrn h ARG 57 Cb 0.84 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.94 2wrn h ARG 57 CO -0.16 1.14 -0.56 -0.92 -1.07 0.00 0.00 179.97 178.40 2wrn h TYR 58 N -0.09 -1.72 -0.22 3.04 5.03 -1.25 0.18 116.97 121.93 2wrn h TYR 58 Ca -0.09 0.09 0.06 0.00 2.58 0.00 0.00 58.73 61.38 2wrn h TYR 58 Cb 1.38 0.81 -0.01 0.00 1.55 0.00 0.00 36.73 40.47 2wrn h TYR 58 CO 0.15 -0.47 0.49 -1.49 -1.32 0.00 0.00 178.16 175.51 2wrn h TRP 59 N -0.34 0.00 0.08 -3.82 4.06 -1.63 -0.69 115.95 113.61 2wrn h TRP 59 Ca 0.09 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.71 2wrn h TRP 59 Cb 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 2wrn h TRP 59 CO -0.77 0.00 -1.79 1.28 -3.56 0.00 0.00 178.44 173.61 2wrn n LEU 60 N -3.18 2.38 0.09 -4.49 4.77 0.39 -0.99 117.00 115.96 2wrn n LEU 60 Ca 0.03 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.34 2wrn n LEU 60 Cb 0.59 -1.06 0.28 0.00 -2.33 0.00 0.00 43.42 40.90 2wrn n LEU 60 CO 0.18 0.66 0.67 -1.54 -1.33 0.00 0.00 177.39 176.03 2wrn n SER 61 N -3.80 0.26 -0.11 -1.43 3.41 0.14 0.73 113.62 112.82 2wrn n SER 61 Ca -0.33 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 58.88 2wrn n SER 61 Cb 0.92 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2wrn n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2wrn n VAL 62 N -1.84 0.49 -0.40 -3.33 0.24 -0.90 -5.05 118.33 107.55 2wrn n VAL 62 Ca -0.01 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2wrn n VAL 62 Cb 0.08 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 2wrn n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrn n GLY 63 N -0.08 0.47 3.19 7.63 0.00 0.22 -5.06 105.19 111.56 2wrn n GLY 63 Ca 0.02 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2wrn n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn s ALA 64 N -1.69 2.09 -0.36 4.61 0.00 -0.16 -4.64 121.76 121.62 2wrn s ALA 64 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 2wrn s ALA 64 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2wrn s ALA 64 CO 0.00 0.20 0.31 -0.65 0.00 0.00 0.00 175.76 175.62 2wrn s GLN 65 N 0.48 3.39 0.93 0.00 -1.52 -0.47 -4.76 119.66 117.71 2wrn s GLN 65 Ca -0.16 -0.65 -0.15 0.00 -1.95 0.00 0.00 55.36 52.46 2wrn s GLN 65 Cb -0.17 -3.85 0.16 0.00 -0.22 0.00 0.00 33.01 28.93 2wrn s GLN 65 CO 0.06 -0.56 1.24 -2.14 -0.25 0.00 0.00 175.29 173.64 2wrn s PRO 66 N 1.85 0.96 0.00 2.91 0.02 -1.26 0.10 135.00 139.58 2wrn s PRO 66 Ca 0.08 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 60.95 2wrn s PRO 66 Cb -0.17 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2wrn s PRO 66 CO 0.11 -2.24 0.00 2.41 -0.33 0.00 0.00 177.00 176.95 2wrn n THR 67 N -3.71 0.00 0.02 0.99 -1.04 -1.23 -4.69 114.28 104.62 2wrn n THR 67 Ca 0.12 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.98 2wrn n THR 67 Cb 0.60 -1.94 -0.14 0.00 -1.82 0.00 0.00 70.33 67.02 2wrn n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wrn h ASP 68 N 0.00 0.27 0.47 8.00 3.32 -1.97 -2.55 116.42 123.96 2wrn h ASP 68 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wrn h ASP 68 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wrn h ASP 68 CO 0.00 1.42 -0.79 0.35 -1.72 0.00 0.00 179.24 178.50 2wrn n THR 69 N -3.34 0.12 0.09 0.35 -2.24 -1.26 -3.26 114.28 104.74 2wrn n THR 69 Ca -0.20 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 2wrn n THR 69 Cb 1.04 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 2wrn n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrn h ALA 70 N 2.74 0.17 -0.20 6.98 0.00 -1.87 -2.10 119.26 124.97 2wrn h ALA 70 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 54.91 53.99 2wrn h ALA 70 Cb 0.63 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2wrn h ALA 70 CO 0.00 1.04 -0.12 -0.09 0.00 0.00 0.00 179.25 180.08 2wrn h ARG 71 N 0.07 -0.11 0.13 0.00 9.65 -1.49 -2.68 114.38 119.95 2wrn h ARG 71 Ca -0.17 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2wrn h ARG 71 Cb 1.99 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.58 2wrn h ARG 71 CO 0.19 -0.07 -0.11 -0.09 2.80 0.00 0.00 179.97 182.68 2wrn h ARG 72 N -0.11 -0.25 -0.02 0.20 2.43 -1.53 -1.30 114.38 113.80 2wrn h ARG 72 Ca 0.12 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2wrn h ARG 72 Cb 0.29 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2wrn h ARG 72 CO -0.28 -0.16 0.09 -0.07 -1.51 0.00 0.00 179.97 178.04 2wrn h LEU 73 N -0.26 0.00 0.12 3.80 3.38 -1.24 0.63 115.31 121.74 2wrn h LEU 73 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2wrn h LEU 73 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wrn h LEU 73 CO -0.02 0.00 -1.47 -0.07 0.09 0.00 0.00 178.44 176.97 2wrn h LEU 74 N 0.00 0.41 -1.15 1.67 3.38 -1.06 -2.50 115.31 116.06 2wrn h LEU 74 Ca 0.01 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2wrn h LEU 74 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wrn h LEU 74 CO -0.00 1.43 -0.10 -0.09 0.09 0.00 0.00 178.44 179.77 2wrn h ARG 75 N 0.07 0.47 0.00 1.13 2.43 0.12 0.33 114.38 118.94 2wrn h ARG 75 Ca -0.22 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 2wrn h ARG 75 Cb 2.01 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2wrn h ARG 75 CO 0.17 0.58 -0.48 0.37 -1.51 0.00 0.00 179.97 179.10 2wrn h GLN 76 N 0.44 0.00 -0.47 0.20 4.15 -0.58 -2.78 115.11 116.07 2wrn h GLN 76 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2wrn h GLN 76 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2wrn h GLN 76 CO 0.03 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.41 2wrn n ALA 77 N -2.28 2.62 -2.99 3.38 0.00 0.91 -4.98 120.51 117.17 2wrn n ALA 77 Ca 0.01 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 2wrn n ALA 77 Cb 0.63 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.12 2wrn n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 78 N 0.90 0.14 0.05 0.00 0.00 0.31 -4.92 105.19 101.68 2wrn n GLY 78 Ca 0.13 0.83 -0.06 0.00 0.00 0.00 0.00 46.02 46.92 2wrn n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrn n VAL 79 N 0.02 0.69 -0.01 1.61 0.31 -1.18 -4.62 118.33 115.14 2wrn n VAL 79 Ca -0.06 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 2wrn n VAL 79 Cb 0.54 -0.78 -0.14 0.00 -0.91 0.00 0.00 33.84 32.55 2wrn n VAL 79 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wrn h PHE 80 N 0.00 0.01 -1.50 3.52 -1.00 -1.91 -3.47 116.94 112.58 2wrn h PHE 80 Ca -0.27 -0.00 -0.69 0.00 2.81 0.00 0.00 57.97 59.81 2wrn h PHE 80 Cb 1.58 -0.00 0.08 0.00 3.61 0.00 0.00 35.95 41.21 2wrn h PHE 80 CO 0.00 1.01 0.06 -2.13 -1.61 0.00 0.00 178.31 175.64 2wrn n ARG 81 N -3.08 0.63 0.00 1.51 0.63 -1.26 -4.84 116.66 110.25 2wrn n ARG 81 Ca -0.15 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2wrn n ARG 81 Cb 1.04 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 32.32 2wrn n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrn n GLN 82 N 1.55 0.01 0.00 -0.14 0.00 -1.26 -5.09 117.38 112.46 2wrn n GLN 82 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.16 2wrn n GLN 82 Cb 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.04 2wrn n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wrn n GLU 83 N -0.00 0.00 0.00 2.61 -0.58 -1.26 -5.28 120.64 116.12 2wrn n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrn n GLU 83 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 2wrn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65