#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s ALA 20 N 0.00 4.46 -0.79 3.14 0.00 -1.26 -5.00 121.76 122.31 2wrn s ALA 20 Ca 0.00 -3.73 -0.31 0.00 0.00 0.00 0.00 51.96 47.92 2wrn s ALA 20 Cb 0.00 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.61 2wrn s ALA 20 CO 0.00 -2.20 2.55 1.63 0.00 0.00 0.00 175.76 177.74 2wrn n LYS 21 N 2.86 0.34 -0.32 0.00 4.76 -1.26 -4.74 118.16 119.80 2wrn n LYS 21 Ca 0.21 0.02 0.34 0.00 -2.87 0.00 0.00 58.31 56.01 2wrn n LYS 21 Cb 0.40 -2.06 0.55 0.00 -1.84 0.00 0.00 35.03 32.08 2wrn n LYS 21 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wrn h VAL 22 N 7.79 0.03 0.00 -0.18 2.07 -1.71 -0.08 116.25 124.17 2wrn h VAL 22 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2wrn h VAL 22 Cb 1.31 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2wrn h VAL 22 CO 1.28 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 179.21 2wrn h LYS 23 N 0.00 0.00 0.06 1.57 3.64 -1.66 -2.91 116.57 117.26 2wrn h LYS 23 Ca 0.59 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.72 2wrn h LYS 23 Cb 3.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.84 2wrn h LYS 23 CO -0.01 0.16 -1.23 0.00 -2.27 0.00 0.00 179.45 176.10 2wrn h ALA 24 N 1.84 0.31 0.00 5.00 0.00 -1.32 -3.33 119.26 121.76 2wrn h ALA 24 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2wrn h ALA 24 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wrn h ALA 24 CO 0.02 1.19 0.00 2.41 0.00 0.00 0.00 179.25 182.87 2wrn n THR 25 N -3.39 0.00 -3.86 0.00 -1.04 -1.10 -4.60 114.28 100.29 2wrn n THR 25 Ca -0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.86 2wrn n THR 25 Cb 0.99 -0.05 -0.04 0.00 -1.82 0.00 0.00 70.33 69.41 2wrn n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wrn s LEU 26 N 0.00 0.02 0.00 -4.42 1.43 -1.25 -5.11 118.68 109.35 2wrn s LEU 26 Ca 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2wrn s LEU 26 Cb 0.00 2.24 0.00 0.00 0.03 0.00 0.00 46.19 48.46 2wrn s LEU 26 CO 0.00 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.01 2wrn n GLY 27 N -0.40 4.77 3.70 -3.19 0.00 -1.26 -5.00 105.19 103.81 2wrn n GLY 27 Ca -0.05 -2.05 -0.53 0.00 0.00 0.00 0.00 46.02 43.38 2wrn n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrn n GLU 28 N -0.06 1.58 -3.79 1.61 1.02 -1.26 -4.92 120.64 114.81 2wrn n GLU 28 Ca 0.00 0.58 -0.13 0.00 -0.02 0.00 0.00 57.16 57.59 2wrn n GLU 28 Cb 0.00 -2.33 -0.09 0.00 -0.02 0.00 0.00 31.44 29.00 2wrn n GLU 28 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2wrn s PHE 29 N 3.59 -0.11 -0.03 -0.32 -0.12 -1.26 -5.14 117.98 114.59 2wrn s PHE 29 Ca 0.95 0.14 -0.23 0.00 -0.05 0.00 0.00 56.93 57.74 2wrn s PHE 29 Cb -0.91 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2wrn s PHE 29 CO 0.59 -0.37 0.70 0.34 -0.05 0.00 0.00 175.22 176.44 2wrn s ASP 30 N -1.38 7.04 -0.33 1.98 -1.08 -1.26 -4.96 116.67 116.68 2wrn s ASP 30 Ca -0.14 1.25 0.06 0.00 -0.52 0.00 0.00 52.55 53.20 2wrn s ASP 30 Cb -0.06 -2.42 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 2wrn s ASP 30 CO 0.03 -0.06 1.24 0.00 0.52 0.00 0.00 175.17 176.91 2wrn n LEU 31 N 3.42 5.11 0.00 -1.34 -0.00 -1.26 -4.20 117.00 118.73 2wrn n LEU 31 Ca -0.02 -4.76 0.00 0.00 -0.00 0.00 0.00 56.01 51.23 2wrn n LEU 31 Cb 0.51 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2wrn n LEU 31 CO 0.47 2.08 -0.22 -1.14 -0.00 0.00 0.00 177.39 178.57 2wrn n ARG 32 N -0.70 1.48 -1.77 1.47 3.00 -1.26 -3.85 116.66 115.02 2wrn n ARG 32 Ca 0.45 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 58.10 2wrn n ARG 32 Cb 0.92 -0.72 -0.06 0.00 0.00 0.00 0.00 32.46 32.60 2wrn n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wrn s ASP 33 N -2.14 4.44 0.00 6.15 3.68 -1.26 -4.75 116.67 122.80 2wrn s ASP 33 Ca 0.00 -0.19 0.03 0.00 2.13 0.00 0.00 52.55 54.52 2wrn s ASP 33 Cb 0.00 -2.55 0.17 0.00 -1.45 0.00 0.00 42.92 39.09 2wrn s ASP 33 CO 0.00 -3.35 0.66 0.00 0.13 0.00 0.00 175.17 172.60 2wrn n TYR 34 N 16.55 0.00 -0.11 -5.34 0.18 -1.26 -3.54 117.16 123.64 2wrn n TYR 34 Ca 0.43 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 60.07 2wrn n TYR 34 Cb 0.45 -0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.30 2wrn n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wrn n ARG 35 N -1.00 0.65 -1.41 -3.48 1.74 -1.26 -4.42 116.66 107.47 2wrn n ARG 35 Ca 0.02 0.11 -0.38 0.00 -0.77 0.00 0.00 57.85 56.83 2wrn n ARG 35 Cb 0.01 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 2wrn n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wrn n ASN 36 N -3.07 2.57 -0.38 0.55 0.23 -1.23 -4.61 115.26 109.33 2wrn n ASN 36 Ca -0.37 -2.67 0.30 0.00 -0.53 0.00 0.00 54.58 51.30 2wrn n ASN 36 Cb 0.94 -1.29 0.56 0.00 -2.08 0.00 0.00 39.78 37.92 2wrn n ASN 36 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 2wrn h VAL 37 N 5.10 0.24 -0.78 3.53 -1.51 -1.88 0.23 116.25 121.18 2wrn h VAL 37 Ca 0.34 -0.07 0.17 0.00 -1.23 0.00 0.00 66.70 65.90 2wrn h VAL 37 Cb 0.76 0.01 -0.14 0.00 -2.13 0.00 0.00 31.29 29.79 2wrn h VAL 37 CO 1.71 0.04 -0.10 -0.33 -1.23 0.00 0.00 177.57 177.66 2wrn h GLU 38 N 0.21 0.04 0.26 5.19 4.39 -1.98 3.59 114.58 126.28 2wrn h GLU 38 Ca 0.76 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.44 2wrn h GLU 38 Cb 2.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2wrn h GLU 38 CO -0.49 0.03 -0.12 0.28 -1.16 0.00 0.00 179.01 177.54 2wrn h VAL 39 N 0.04 0.51 -0.09 3.13 2.07 -0.96 -3.36 116.25 117.60 2wrn h VAL 39 Ca 0.40 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2wrn h VAL 39 Cb 0.68 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2wrn h VAL 39 CO -0.75 0.13 -0.30 -0.07 0.02 0.00 0.00 177.57 176.60 2wrn h LEU 40 N -0.96 -0.90 -1.07 2.57 3.38 -0.76 -2.88 115.31 114.67 2wrn h LEU 40 Ca -0.04 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.38 2wrn h LEU 40 Cb 0.48 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2wrn h LEU 40 CO 0.06 -0.35 1.02 1.17 0.09 0.00 0.00 178.44 180.44 2wrn n LYS 41 N -5.40 0.01 -0.87 1.13 3.00 1.18 0.90 118.16 118.11 2wrn n LYS 41 Ca -0.04 0.82 -0.18 0.00 -0.00 0.00 0.00 58.31 58.92 2wrn n LYS 41 Cb 0.31 -2.00 0.09 0.00 0.00 0.00 0.00 35.03 33.43 2wrn n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wrn n ARG 42 N -3.06 1.89 -2.61 1.64 0.63 -1.09 -4.29 116.66 109.77 2wrn n ARG 42 Ca 0.24 -1.96 -0.10 0.00 -0.92 0.00 0.00 57.85 55.11 2wrn n ARG 42 Cb 1.35 -1.77 0.03 0.00 0.45 0.00 0.00 32.46 32.52 2wrn n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wrn n PHE 43 N -0.35 1.73 -3.27 -0.14 0.99 0.26 -5.02 117.46 111.67 2wrn n PHE 43 Ca 0.38 -2.49 -0.04 0.00 -0.00 0.00 0.00 57.45 55.30 2wrn n PHE 43 Cb 1.00 -0.28 -0.05 0.00 -1.00 0.00 0.00 39.48 39.16 2wrn n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wrn s LEU 44 N -3.52 -0.96 0.00 4.37 1.02 -1.26 -3.60 118.68 114.74 2wrn s LEU 44 Ca 0.33 0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.85 2wrn s LEU 44 Cb 0.39 1.51 0.00 0.00 0.02 0.00 0.00 46.19 48.11 2wrn s LEU 44 CO -0.02 -0.29 0.00 -1.54 0.02 0.00 0.00 176.35 174.52 2wrn n SER 45 N 5.39 0.00 0.00 2.29 3.41 -0.85 -4.24 113.62 119.62 2wrn n SER 45 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2wrn n SER 45 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2wrn n SER 45 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2wrn n GLU 46 N -0.30 0.00 -0.39 4.33 0.00 -1.26 -4.88 120.64 118.14 2wrn n GLU 46 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 2wrn n GLU 46 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 31.44 31.76 2wrn n GLU 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2wrn n THR 47 N 0.00 1.05 0.00 6.31 -1.04 -1.26 -4.80 114.28 114.54 2wrn n THR 47 Ca 0.00 -0.98 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 2wrn n THR 47 Cb 0.00 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2wrn n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrn n GLY 48 N 1.58 2.85 3.39 3.41 0.00 -1.26 -3.21 105.19 111.96 2wrn n GLY 48 Ca 0.24 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.73 2wrn n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrn n LYS 49 N -0.43 0.75 -1.43 1.61 5.02 -1.26 -4.56 118.16 117.86 2wrn n LYS 49 Ca 0.00 0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 2wrn n LYS 49 Cb 0.00 -2.19 -0.17 0.00 -0.02 0.00 0.00 35.03 32.66 2wrn n LYS 49 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2wrn n ILE 50 N 7.03 0.00 -0.42 -0.18 2.08 -1.26 -2.01 119.36 124.59 2wrn n ILE 50 Ca 0.46 -0.48 -0.14 0.00 0.56 0.00 0.00 62.75 63.15 2wrn n ILE 50 Cb 0.16 -0.39 -0.00 0.00 -0.75 0.00 0.00 39.64 38.66 2wrn n ILE 50 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wrn n LEU 51 N 7.96 -0.68 -4.81 1.39 4.77 -1.24 -4.92 117.00 119.47 2wrn n LEU 51 Ca 0.53 0.30 -0.37 0.00 -0.03 0.00 0.00 56.01 56.44 2wrn n LEU 51 Cb 0.25 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2wrn n LEU 51 CO 0.90 -1.15 0.40 -2.16 -1.33 0.00 0.00 177.39 174.05 2wrn s PRO 52 N -0.31 4.26 0.45 3.23 0.04 -1.26 -4.83 135.00 136.58 2wrn s PRO 52 Ca 0.19 0.87 0.31 0.00 0.04 0.00 0.00 61.00 62.40 2wrn s PRO 52 Cb -0.24 -2.94 1.41 0.00 0.04 0.00 0.00 34.50 32.77 2wrn s PRO 52 CO 0.19 0.43 1.65 0.00 0.04 0.00 0.00 177.00 179.31 2wrn h ARG 53 N 3.58 0.11 0.00 4.56 3.08 -1.93 0.73 114.38 124.51 2wrn h ARG 53 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2wrn h ARG 53 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2wrn h ARG 53 CO 0.65 0.08 0.00 0.54 -1.07 0.00 0.00 179.97 180.17 2wrn n ARG 54 N -4.58 0.00 0.04 0.04 1.74 -1.26 -1.64 116.66 111.00 2wrn n ARG 54 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wrn n ARG 54 Cb 1.39 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 2wrn n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrn n ARG 55 N 0.39 0.00 0.21 5.56 5.12 0.25 -4.89 116.66 123.30 2wrn n ARG 55 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2wrn n ARG 55 Cb 0.00 0.00 0.67 0.00 -1.16 0.00 0.00 32.46 31.97 2wrn n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2wrn h THR 56 N 0.00 0.00 -0.03 0.55 1.35 -1.17 -3.09 112.91 110.52 2wrn h THR 56 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2wrn h THR 56 Cb 0.00 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2wrn h THR 56 CO 0.00 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.87 2wrn n GLY 57 N -1.25 0.12 0.00 5.82 0.00 -0.65 -2.05 105.19 107.18 2wrn n GLY 57 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wrn n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrn n LEU 58 N -0.06 0.00 -4.21 0.99 4.77 -1.26 -4.82 117.00 112.40 2wrn n LEU 58 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2wrn n LEU 58 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2wrn n LEU 58 CO 0.01 -0.56 -0.36 -0.94 -1.33 0.00 0.00 177.39 174.21 2wrn s SER 59 N -1.39 1.20 0.00 -1.43 1.04 -1.26 -4.88 113.70 106.97 2wrn s SER 59 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2wrn s SER 59 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2wrn s SER 59 CO 0.00 -0.51 0.00 0.00 0.98 0.00 0.00 173.24 173.71 2wrn n ALA 60 N -0.15 0.00 -0.29 5.32 0.00 -1.26 0.17 120.51 124.30 2wrn n ALA 60 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2wrn n ALA 60 Cb 0.62 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.28 2wrn n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrn h LYS 61 N 0.00 0.09 0.31 0.00 3.64 -2.02 -1.61 116.57 116.98 2wrn h LYS 61 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wrn h LYS 61 Cb 0.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2wrn h LYS 61 CO 0.00 0.06 -0.51 0.93 -2.27 0.00 0.00 179.45 177.66 2wrn h GLU 62 N 0.09 -0.84 0.00 1.90 5.08 0.52 -1.69 114.58 119.65 2wrn h GLU 62 Ca 0.48 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2wrn h GLU 62 Cb 0.89 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wrn h GLU 62 CO -0.73 -0.56 0.52 0.37 -1.00 0.00 0.00 179.01 177.60 2wrn h GLN 63 N -0.88 0.00 0.00 2.33 5.75 0.28 -2.72 115.11 119.88 2wrn h GLN 63 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2wrn h GLN 63 Cb 0.81 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2wrn h GLN 63 CO -0.17 0.00 -0.05 0.00 -2.65 0.00 0.00 178.83 175.96 2wrn h ARG 64 N 0.00 0.00 -0.97 1.69 3.08 -1.27 -3.26 114.38 113.64 2wrn h ARG 64 Ca 0.00 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.34 2wrn h ARG 64 Cb 1.04 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.91 2wrn h ARG 64 CO 0.00 0.00 0.14 -0.84 -1.07 0.00 0.00 179.97 178.20 2wrn h ILE 65 N -0.32 0.06 -0.15 2.04 3.07 -1.49 0.24 117.51 120.96 2wrn h ILE 65 Ca 0.00 -0.01 0.02 0.00 1.55 0.00 0.00 64.86 66.42 2wrn h ILE 65 Cb 0.05 0.02 -0.05 0.00 -0.27 0.00 0.00 36.82 36.57 2wrn h ILE 65 CO 0.00 0.01 -0.38 0.25 -1.05 0.00 0.00 178.15 176.97 2wrn h LEU 66 N 0.03 -1.24 -0.16 0.16 5.85 -1.64 0.10 115.31 118.42 2wrn h LEU 66 Ca 0.63 0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.55 2wrn h LEU 66 Cb 1.38 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.85 2wrn h LEU 66 CO -0.86 -0.32 -0.14 0.00 -0.34 0.00 0.00 178.44 176.77 2wrn h ALA 67 N -0.58 -0.03 -1.04 1.25 0.00 -0.65 0.19 119.26 118.41 2wrn h ALA 67 Ca 0.03 0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.28 2wrn h ALA 67 Cb 0.46 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 2wrn h ALA 67 CO -0.34 -0.58 0.63 -0.22 0.00 0.00 0.00 179.25 178.74 2wrn h LYS 68 N -0.16 0.42 0.00 0.00 1.63 -0.19 0.16 116.57 118.44 2wrn h LYS 68 Ca 0.10 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 2wrn h LYS 68 Cb 0.31 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2wrn h LYS 68 CO -0.25 0.28 -0.57 1.79 -3.45 0.00 0.00 179.45 177.24 2wrn h THR 69 N 0.44 0.89 -0.98 1.00 1.35 -0.04 -2.91 112.91 112.65 2wrn h THR 69 Ca 0.67 -1.85 0.13 0.00 -0.55 0.00 0.00 66.41 64.80 2wrn h THR 69 Cb 1.51 1.86 -0.15 0.00 -1.73 0.00 0.00 68.15 69.64 2wrn h THR 69 CO -0.45 0.30 -0.44 -0.38 -0.25 0.00 0.00 175.52 174.30 2wrn n ILE 70 N -4.57 -0.56 -0.08 6.82 5.41 0.58 0.25 119.36 127.21 2wrn n ILE 70 Ca -0.17 2.31 -0.09 0.00 1.00 0.00 0.00 62.75 65.81 2wrn n ILE 70 Cb 0.45 -2.99 -0.06 0.00 -0.71 0.00 0.00 39.64 36.32 2wrn n ILE 70 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2wrn h LYS 71 N 0.00 -0.24 -0.82 0.38 1.57 -0.84 2.14 116.57 118.76 2wrn h LYS 71 Ca 0.28 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.26 2wrn h LYS 71 Cb 0.53 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 32.74 2wrn h LYS 71 CO -0.95 -0.16 -0.10 0.00 -0.57 0.00 0.00 179.45 177.67 2wrn h ARG 72 N -0.25 0.04 -0.47 3.15 3.08 0.35 0.73 114.38 121.00 2wrn h ARG 72 Ca 0.04 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2wrn h ARG 72 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2wrn h ARG 72 CO -0.36 0.02 0.16 0.00 -1.07 0.00 0.00 179.97 178.72 2wrn h ALA 73 N 1.80 0.61 -1.14 0.04 0.00 0.60 -1.22 119.26 119.96 2wrn h ALA 73 Ca 0.43 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.49 2wrn h ALA 73 Cb 0.73 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2wrn h ALA 73 CO -0.79 0.25 0.81 0.00 0.00 0.00 0.00 179.25 179.52 2wrn h ARG 74 N 0.62 0.05 0.00 0.00 3.08 0.96 0.25 114.38 119.34 2wrn h ARG 74 Ca 0.15 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2wrn h ARG 74 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wrn h ARG 74 CO -0.01 0.03 -0.07 0.82 -1.07 0.00 0.00 179.97 179.67 2wrn h ILE 75 N 0.05 1.64 0.00 2.04 2.04 0.07 -2.98 117.51 120.36 2wrn h ILE 75 Ca 0.55 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2wrn h ILE 75 Cb 2.11 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 41.15 2wrn h ILE 75 CO -0.04 0.52 0.00 0.18 0.00 0.00 0.00 178.15 178.80 2wrn n LEU 76 N -4.64 0.00 0.00 1.44 7.99 0.76 -4.74 117.00 117.81 2wrn n LEU 76 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2wrn n LEU 76 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2wrn n LEU 76 CO 0.35 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 2wrn n GLY 77 N -0.42 1.27 0.35 -0.72 0.00 -0.54 -4.77 105.19 100.36 2wrn n GLY 77 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 2wrn n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrn h LEU 78 N 0.00 0.90 -9.45 0.99 3.38 -1.77 -3.41 115.31 105.96 2wrn h LEU 78 Ca 0.00 0.04 -0.61 0.00 0.09 0.00 0.00 57.88 57.39 2wrn h LEU 78 Cb 0.00 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 40.48 2wrn h LEU 78 CO 0.00 0.51 -0.68 -0.76 0.09 0.00 0.00 178.44 177.61 2wrn s LEU 79 N -10.22 3.23 0.26 1.67 1.43 -1.20 -4.97 118.68 108.87 2wrn s LEU 79 Ca -0.12 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 2wrn s LEU 79 Cb 0.21 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 2wrn s LEU 79 CO 0.80 0.10 0.66 -2.16 0.23 0.00 0.00 176.35 175.98 2wrn s PRO 80 N -2.86 3.97 -0.00 1.29 0.04 -1.26 -4.17 135.00 132.00 2wrn s PRO 80 Ca 0.26 0.55 -0.06 0.00 0.04 0.00 0.00 61.00 61.80 2wrn s PRO 80 Cb -0.09 -2.61 -0.29 0.00 0.04 0.00 0.00 34.50 31.55 2wrn s PRO 80 CO 0.18 0.27 0.84 0.74 0.04 0.00 0.00 177.00 179.06 2wrn h PHE 81 N 2.63 0.55 -3.23 0.56 -1.00 -1.93 -3.47 116.94 111.05 2wrn h PHE 81 Ca -0.48 -0.40 -0.06 0.00 2.81 0.00 0.00 57.97 59.85 2wrn h PHE 81 Cb 1.18 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 2wrn h PHE 81 CO 0.62 1.45 0.17 -0.08 -1.61 0.00 0.00 178.31 178.86 2wrn s THR 82 N -2.61 0.00 -0.30 -1.55 -1.32 -1.26 -4.64 115.64 103.96 2wrn s THR 82 Ca -0.10 -1.12 -0.21 0.00 -1.21 0.00 0.00 61.69 59.04 2wrn s THR 82 Cb 0.06 -2.70 0.18 0.00 -1.51 0.00 0.00 72.50 68.53 2wrn s THR 82 CO 0.86 0.00 1.28 -1.83 -2.21 0.00 0.00 174.62 172.72 2wrn s GLU 83 N -2.70 0.15 0.86 7.08 -1.05 -1.20 -4.86 118.70 116.98 2wrn s GLU 83 Ca 0.18 0.21 -0.13 0.00 -0.15 0.00 0.00 54.97 55.08 2wrn s GLU 83 Cb -0.04 0.06 0.08 0.00 -0.44 0.00 0.00 34.13 33.78 2wrn s GLU 83 CO 0.12 -0.02 0.96 1.63 0.95 0.00 0.00 175.26 178.90 2wrn n LYS 84 N 2.37 -0.07 -2.96 -4.83 4.76 -1.26 -4.50 118.16 111.67 2wrn n LYS 84 Ca -0.14 0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.02 2wrn n LYS 84 Cb 0.57 -2.24 -0.07 0.00 -1.84 0.00 0.00 35.03 31.45 2wrn n LYS 84 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wrn s LEU 85 N -4.44 4.07 -0.15 -0.35 2.96 -1.26 -4.85 118.68 114.65 2wrn s LEU 85 Ca 0.68 1.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.09 2wrn s LEU 85 Cb -0.27 -4.21 -0.02 0.00 0.50 0.00 0.00 46.19 42.19 2wrn s LEU 85 CO 0.57 -0.23 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.60 2wrn s VAL 86 N -1.98 3.47 -0.00 1.68 1.01 -1.26 -4.90 120.40 118.42 2wrn s VAL 86 Ca 0.56 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2wrn s VAL 86 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2wrn s VAL 86 CO 0.17 0.50 0.02 -1.14 0.00 0.00 0.00 175.10 174.64 2wrn n ARG 87 N 3.70 -4.08 0.00 2.72 0.63 -1.26 -5.26 116.66 113.11 2wrn n ARG 87 Ca -0.18 2.97 0.13 0.00 -0.92 0.00 0.00 57.85 59.85 2wrn n ARG 87 Cb 0.52 -3.86 0.31 0.00 0.45 0.00 0.00 32.46 29.89 2wrn n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29