#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n ARG 3 N 0.00 2.14 0.00 0.00 1.74 -1.26 -4.59 116.66 114.69 2wrn n ARG 3 Ca 0.00 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 2wrn n ARG 3 Cb 0.00 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 28.83 2wrn n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wrn n ILE 4 N 4.89 0.00 0.00 0.55 5.41 0.13 -5.00 119.36 125.35 2wrn n ILE 4 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2wrn n ILE 4 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 2wrn n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrn n ALA 5 N -3.00 0.00 -0.99 -1.39 0.00 -1.26 -4.89 120.51 108.97 2wrn n ALA 5 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2wrn n ALA 5 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2wrn n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 6 N 2.18 -2.70 0.50 0.00 0.00 -1.26 -4.64 105.19 99.27 2wrn n GLY 6 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wrn n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrn n VAL 7 N -2.77 0.00 -3.00 1.61 0.31 -1.26 -4.73 118.33 108.49 2wrn n VAL 7 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 2wrn n VAL 7 Cb 0.04 -0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 2wrn n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wrn s GLU 8 N -1.00 4.27 -0.01 5.55 2.02 -1.26 -4.89 118.70 123.38 2wrn s GLU 8 Ca 0.00 0.96 -0.19 0.00 0.02 0.00 0.00 54.97 55.76 2wrn s GLU 8 Cb 0.00 -2.66 0.04 0.00 0.10 0.00 0.00 34.13 31.61 2wrn s GLU 8 CO 0.00 0.25 0.41 0.42 0.02 0.00 0.00 175.26 176.37 2wrn s ILE 9 N -1.74 0.04 0.00 -1.63 1.09 -1.26 0.20 121.20 117.90 2wrn s ILE 9 Ca 0.50 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 2wrn s ILE 9 Cb -0.15 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.50 2wrn s ILE 9 CO 0.20 -0.20 0.00 -0.81 -0.10 0.00 0.00 174.94 174.03 2wrn n PRO 10 N 1.08 0.00 0.00 2.79 -0.04 -1.26 -5.04 135.00 132.53 2wrn n PRO 10 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2wrn n PRO 10 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2wrn n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wrn n ARG 11 N 0.00 -0.01 -0.03 0.54 0.63 -1.26 -5.02 116.66 111.51 2wrn n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wrn n ARG 11 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2wrn n ARG 11 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wrn n ASN 12 N 0.00 -0.00 -3.54 6.15 5.03 -1.26 -4.52 115.26 117.11 2wrn n ASN 12 Ca 0.00 -0.03 -0.10 0.00 0.87 0.00 0.00 54.58 55.32 2wrn n ASN 12 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 2wrn n ASN 12 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2wrn s LYS 13 N 0.07 1.85 0.65 3.52 1.02 -1.26 -4.88 119.74 120.71 2wrn s LYS 13 Ca 0.00 -1.36 -0.17 0.00 0.02 0.00 0.00 55.97 54.46 2wrn s LYS 13 Cb 0.00 0.53 -0.00 0.00 -0.52 0.00 0.00 37.83 37.84 2wrn s LYS 13 CO 0.00 -0.81 1.24 1.03 -0.92 0.00 0.00 175.35 175.89 2wrn s ARG 14 N -3.36 2.56 0.03 1.68 0.52 -1.26 0.10 118.95 119.22 2wrn s ARG 14 Ca 0.20 1.90 -0.28 0.00 -0.52 0.00 0.00 55.73 57.03 2wrn s ARG 14 Cb -0.03 -1.87 -0.17 0.00 0.52 0.00 0.00 34.95 33.41 2wrn s ARG 14 CO 0.12 -1.54 1.33 -0.39 0.02 0.00 0.00 175.30 174.84 2wrn h VAL 15 N 0.41 0.34 -1.28 3.52 -1.51 -1.55 0.46 116.25 116.63 2wrn h VAL 15 Ca -0.50 -0.29 0.37 0.00 -1.23 0.00 0.00 66.70 65.05 2wrn h VAL 15 Cb 1.31 0.44 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 2wrn h VAL 15 CO 0.53 0.04 1.02 -2.24 -1.23 0.00 0.00 177.57 175.68 2wrn h ASP 16 N -0.97 0.00 0.03 4.19 -0.00 -1.89 0.61 116.42 118.38 2wrn h ASP 16 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.95 2wrn h ASP 16 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.98 2wrn h ASP 16 CO 0.13 0.00 -0.01 0.58 -0.00 0.00 0.00 179.24 179.94 2wrn h VAL 17 N 0.00 0.00 -0.38 4.15 2.07 -1.72 -3.34 116.25 117.03 2wrn h VAL 17 Ca 0.61 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 68.05 2wrn h VAL 17 Cb 2.64 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2wrn h VAL 17 CO -0.01 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 2wrn n ALA 18 N -2.11 -0.24 -0.30 1.67 0.00 0.15 -0.39 120.51 119.29 2wrn n ALA 18 Ca -0.00 0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.90 2wrn n ALA 18 Cb 0.01 0.06 0.29 0.00 0.00 0.00 0.00 19.45 19.82 2wrn n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrn h LEU 19 N 0.00 -0.09 -0.78 0.00 -0.00 -1.49 -1.69 115.31 111.26 2wrn h LEU 19 Ca 0.06 0.21 0.14 0.00 -0.00 0.00 0.00 57.88 58.29 2wrn h LEU 19 Cb 0.16 0.31 -0.14 0.00 -0.00 0.00 0.00 40.66 40.98 2wrn h LEU 19 CO -0.36 -0.20 -0.31 0.74 -0.00 0.00 0.00 178.44 178.31 2wrn h THR 20 N 0.16 0.12 0.00 0.22 2.02 -0.83 -2.53 112.91 112.06 2wrn h THR 20 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 2wrn h THR 20 Cb 1.16 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2wrn h THR 20 CO -0.71 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 173.96 2wrn n TYR 21 N -5.48 0.00 -4.17 3.16 0.53 -0.63 -4.62 117.16 105.95 2wrn n TYR 21 Ca 0.09 -0.22 -0.18 0.00 -1.02 0.00 0.00 57.90 56.57 2wrn n TYR 21 Cb 0.39 -0.29 -0.15 0.00 -1.03 0.00 0.00 39.34 38.26 2wrn n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wrn s ILE 22 N 1.44 0.47 -0.41 -0.72 1.09 -0.95 -4.79 121.20 117.32 2wrn s ILE 22 Ca 0.00 -0.17 -0.28 0.00 -1.10 0.00 0.00 60.65 59.10 2wrn s ILE 22 Cb 0.00 -0.45 -0.03 0.00 -1.06 0.00 0.00 42.46 40.92 2wrn s ILE 22 CO 0.00 0.17 1.93 -0.47 -0.10 0.00 0.00 174.94 176.47 2wrn s TYR 23 N 0.36 1.62 0.00 3.97 6.14 -1.26 -1.67 117.35 126.52 2wrn s TYR 23 Ca -0.04 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.43 2wrn s TYR 23 Cb -0.08 -4.04 0.00 0.00 0.42 0.00 0.00 41.96 38.26 2wrn s TYR 23 CO -0.00 -2.85 0.00 0.41 0.64 0.00 0.00 175.55 173.74 2wrn n GLY 24 N 5.59 3.83 3.53 8.97 0.00 -1.26 -1.64 105.19 124.21 2wrn n GLY 24 Ca 0.25 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2wrn n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrn s ILE 25 N 0.00 4.61 0.53 -0.61 1.01 -0.67 -4.98 121.20 121.09 2wrn s ILE 25 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 60.65 61.03 2wrn s ILE 25 Cb 0.00 -4.37 0.07 0.00 0.01 0.00 0.00 42.46 38.16 2wrn s ILE 25 CO 0.00 -0.83 0.74 -0.83 0.00 0.00 0.00 174.94 174.02 2wrn s GLY 26 N 2.37 1.79 0.00 6.18 0.00 -1.26 -4.13 107.32 112.27 2wrn s GLY 26 Ca 0.28 -2.00 0.09 0.00 0.00 0.00 0.00 44.72 43.09 2wrn s GLY 26 CO 0.21 -1.62 1.00 1.17 0.00 0.00 0.00 173.10 173.86 2wrn n LYS 27 N -2.15 0.49 0.00 2.90 3.00 -1.26 -2.23 118.16 118.91 2wrn n LYS 27 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2wrn n LYS 27 Cb 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.34 2wrn n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrn n ALA 28 N -0.80 0.00 0.04 3.14 0.00 -1.26 -3.32 120.51 118.32 2wrn n ALA 28 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2wrn n ALA 28 Cb 0.03 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.61 2wrn n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrn n ARG 29 N -2.09 0.03 0.00 0.00 1.74 -1.22 -1.98 116.66 113.15 2wrn n ARG 29 Ca 0.00 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2wrn n ARG 29 Cb 0.00 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 2wrn n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrn n ALA 30 N -1.48 0.00 0.00 7.54 0.00 -0.95 -0.34 120.51 125.28 2wrn n ALA 30 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wrn n ALA 30 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2wrn n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wrn n LYS 31 N -0.85 0.00 -0.11 0.00 5.02 -1.10 0.30 118.16 121.42 2wrn n LYS 31 Ca 0.00 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 2wrn n LYS 31 Cb 0.00 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.30 2wrn n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wrn n GLU 32 N -0.93 0.47 0.02 1.97 2.13 -0.84 -4.29 120.64 119.17 2wrn n GLU 32 Ca 0.00 0.19 0.01 0.00 0.66 0.00 0.00 57.16 58.02 2wrn n GLU 32 Cb 0.13 -1.29 0.04 0.00 0.27 0.00 0.00 31.44 30.58 2wrn n GLU 32 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wrn n ALA 33 N -3.85 0.61 0.37 4.31 0.00 0.15 -0.59 120.51 121.52 2wrn n ALA 33 Ca -0.42 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 2wrn n ALA 33 Cb 0.82 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 2wrn n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrn h LEU 34 N 0.00 -0.83 -0.16 0.00 3.38 -1.68 -1.54 115.31 114.48 2wrn h LEU 34 Ca 0.00 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2wrn h LEU 34 Cb 0.41 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2wrn h LEU 34 CO 0.00 -0.47 -0.34 1.05 0.09 0.00 0.00 178.44 178.77 2wrn h GLU 35 N -1.23 -0.39 0.00 1.13 4.11 -1.09 0.71 114.58 117.82 2wrn h GLU 35 Ca -0.10 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2wrn h GLU 35 Cb 0.75 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2wrn h GLU 35 CO 0.16 -0.26 0.00 1.63 0.07 0.00 0.00 179.01 180.61 2wrn n LYS 36 N -5.42 0.00 0.00 1.06 4.76 -1.19 -0.69 118.16 116.69 2wrn n LYS 36 Ca -0.03 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 2wrn n LYS 36 Cb 0.34 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2wrn n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wrn n THR 37 N -2.30 0.00 -3.67 -0.18 -2.24 -0.58 -4.83 114.28 100.48 2wrn n THR 37 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2wrn n THR 37 Cb 0.00 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 2wrn n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrn n GLY 38 N -0.01 -0.12 3.64 3.38 0.00 0.24 -4.92 105.19 107.41 2wrn n GLY 38 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2wrn n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrn s ILE 39 N -3.89 3.00 0.18 -0.61 1.01 -0.69 -5.00 121.20 115.20 2wrn s ILE 39 Ca 0.03 -1.93 -0.26 0.00 0.00 0.00 0.00 60.65 58.48 2wrn s ILE 39 Cb -0.02 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 2wrn s ILE 39 CO 0.63 -0.28 0.81 0.21 0.00 0.00 0.00 174.94 176.31 2wrn s ASN 40 N -3.71 7.44 0.00 3.58 2.47 -1.26 -4.71 114.94 118.76 2wrn s ASN 40 Ca 0.34 1.71 -0.04 0.00 0.42 0.00 0.00 52.86 55.29 2wrn s ASN 40 Cb -0.03 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 2wrn s ASN 40 CO 0.20 0.20 0.76 -0.65 -3.72 0.00 0.00 177.10 173.88 2wrn h PRO 41 N 4.27 -0.13 -0.38 0.43 0.11 -2.00 -3.40 132.00 130.90 2wrn h PRO 41 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 2wrn h PRO 41 Cb 1.20 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 2wrn h PRO 41 CO 0.66 -0.08 -0.41 0.00 -0.21 0.00 0.00 178.00 177.96 2wrn h ALA 42 N -1.90 -0.60 -0.77 -0.75 0.00 -1.97 -2.80 119.26 110.47 2wrn h ALA 42 Ca -0.01 0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2wrn h ALA 42 Cb 0.10 1.07 0.05 0.00 0.00 0.00 0.00 17.79 19.01 2wrn h ALA 42 CO 0.02 -0.82 -0.11 0.25 0.00 0.00 0.00 179.25 178.59 2wrn n THR 43 N -4.65 0.52 -2.36 0.00 -2.24 -1.26 -4.36 114.28 99.92 2wrn n THR 43 Ca -0.02 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 2wrn n THR 43 Cb 0.24 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2wrn n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrn s ARG 44 N -0.26 4.15 0.59 -0.78 1.81 -1.26 -3.62 118.95 119.58 2wrn s ARG 44 Ca 0.63 1.77 0.34 0.00 -1.72 0.00 0.00 55.73 56.75 2wrn s ARG 44 Cb -0.89 -2.71 1.23 0.00 -0.45 0.00 0.00 34.95 32.12 2wrn s ARG 44 CO 0.44 -0.22 1.46 0.28 -0.68 0.00 0.00 175.30 176.58 2wrn h VAL 45 N 2.39 0.06 -0.48 3.52 2.07 -0.57 1.35 116.25 124.59 2wrn h VAL 45 Ca -0.48 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2wrn h VAL 45 Cb 1.23 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2wrn h VAL 45 CO 0.63 0.00 0.02 0.50 0.02 0.00 0.00 177.57 178.74 2wrn h LYS 46 N 0.00 0.83 -2.40 1.57 3.64 -1.87 -3.31 116.57 115.03 2wrn h LYS 46 Ca 0.58 -0.25 -0.74 0.00 -1.27 0.00 0.00 60.65 58.97 2wrn h LYS 46 Cb 2.94 -0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 34.49 2wrn h LYS 46 CO -0.01 0.87 1.71 -0.25 -2.27 0.00 0.00 179.45 179.49 2wrn n ASP 47 N -4.37 7.65 -4.15 4.20 9.92 0.46 -4.94 116.55 125.33 2wrn n ASP 47 Ca 0.01 -3.36 -0.30 0.00 -0.53 0.00 0.00 54.79 50.61 2wrn n ASP 47 Cb 0.29 -1.27 -0.17 0.00 -0.64 0.00 0.00 41.12 39.33 2wrn n ASP 47 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2wrn s LEU 48 N -2.94 1.94 0.12 0.64 1.43 -1.25 -4.77 118.68 113.86 2wrn s LEU 48 Ca 0.50 -0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 2wrn s LEU 48 Cb 0.22 -1.24 -0.13 0.00 0.03 0.00 0.00 46.19 45.07 2wrn s LEU 48 CO -0.14 0.10 1.66 0.41 0.23 0.00 0.00 176.35 178.62 2wrn n THR 49 N 3.76 0.13 -0.42 5.49 -1.04 -1.26 -4.68 114.28 116.26 2wrn n THR 49 Ca -0.20 -0.02 0.40 0.00 -2.04 0.00 0.00 64.05 62.18 2wrn n THR 49 Cb 0.52 -1.68 0.71 0.00 -1.82 0.00 0.00 70.33 68.06 2wrn n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wrn h GLU 50 N 6.78 0.00 0.10 -2.82 4.39 -1.98 1.26 114.58 122.30 2wrn h GLU 50 Ca -0.45 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 2wrn h GLU 50 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2wrn h GLU 50 CO 0.91 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 178.71 2wrn h ALA 51 N 1.05 -0.16 -0.47 3.43 0.00 -1.99 -3.16 119.26 117.95 2wrn h ALA 51 Ca 0.67 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.68 2wrn h ALA 51 Cb 2.93 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.75 2wrn h ALA 51 CO -0.01 -0.15 0.46 0.93 0.00 0.00 0.00 179.25 180.47 2wrn h GLU 52 N -0.79 0.00 0.02 0.00 5.08 0.04 2.51 114.58 121.44 2wrn h GLU 52 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wrn h GLU 52 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wrn h GLU 52 CO 0.02 0.00 -0.01 0.28 -1.00 0.00 0.00 179.01 178.30 2wrn h VAL 53 N 0.00 0.00 0.48 3.13 2.07 0.11 -0.12 116.25 121.91 2wrn h VAL 53 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2wrn h VAL 53 Cb 1.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2wrn h VAL 53 CO -0.00 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 177.87 2wrn h VAL 54 N -0.03 0.39 -0.72 2.57 2.07 -1.02 -2.11 116.25 117.40 2wrn h VAL 54 Ca -0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 2wrn h VAL 54 Cb 0.03 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 2wrn h VAL 54 CO 0.00 0.00 0.42 -1.14 0.02 0.00 0.00 177.57 176.88 2wrn n ARG 55 N -5.43 -0.03 0.23 1.57 0.63 0.83 0.29 116.66 114.74 2wrn n ARG 55 Ca -0.11 0.84 -0.12 0.00 -0.92 0.00 0.00 57.85 57.54 2wrn n ARG 55 Cb 0.33 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.61 2wrn n ARG 55 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wrn h LEU 56 N 0.00 -0.54 -1.42 6.15 7.12 -0.32 -3.03 115.31 123.27 2wrn h LEU 56 Ca 0.54 -0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.68 2wrn h LEU 56 Cb 1.56 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.76 2wrn h LEU 56 CO -0.42 -0.13 0.59 -0.09 -0.13 0.00 0.00 178.44 178.26 2wrn h ARG 57 N -1.08 0.49 0.00 1.25 2.43 0.45 0.87 114.38 118.79 2wrn h ARG 57 Ca -0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2wrn h ARG 57 Cb 0.57 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2wrn h ARG 57 CO 0.11 0.32 0.48 0.93 -1.51 0.00 0.00 179.97 180.30 2wrn h GLU 58 N 0.51 0.00 0.00 0.20 4.39 0.11 0.36 114.58 120.15 2wrn h GLU 58 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2wrn h GLU 58 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2wrn h GLU 58 CO -0.20 0.00 0.00 0.98 -1.16 0.00 0.00 179.01 178.63 2wrn n TYR 59 N -2.59 0.00 -0.20 4.33 9.36 0.29 -4.15 117.16 124.20 2wrn n TYR 59 Ca -0.01 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.24 2wrn n TYR 59 Cb 0.51 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.30 2wrn n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wrn n VAL 60 N -1.00 -0.24 0.05 2.97 0.31 -0.56 0.20 118.33 120.06 2wrn n VAL 60 Ca 0.00 1.29 -0.20 0.00 -0.01 0.00 0.00 64.34 65.41 2wrn n VAL 60 Cb 0.00 -1.78 -0.11 0.00 -0.91 0.00 0.00 33.84 31.04 2wrn n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wrn h GLU 61 N 0.00 0.61 -0.01 5.55 4.57 -0.50 -3.26 114.58 121.53 2wrn h GLU 61 Ca 0.27 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2wrn h GLU 61 Cb 0.41 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2wrn h GLU 61 CO -0.58 1.29 -0.03 0.09 -1.18 0.00 0.00 179.01 178.60 2wrn n ASN 62 N -3.93 1.28 0.00 1.04 4.13 0.11 -4.85 115.26 113.04 2wrn n ASN 62 Ca -0.12 -1.35 0.00 0.00 1.68 0.00 0.00 54.58 54.79 2wrn n ASN 62 Cb 0.86 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2wrn n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wrn n THR 63 N -0.06 0.00 -0.83 3.41 -1.04 0.55 -4.97 114.28 111.34 2wrn n THR 63 Ca 0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.87 2wrn n THR 63 Cb 0.33 -0.29 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 2wrn n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2wrn n TRP 64 N 0.00 0.42 -0.89 -1.42 2.14 -1.26 -4.89 117.44 111.53 2wrn n TRP 64 Ca 0.00 0.58 -0.30 0.00 2.07 0.00 0.00 57.50 59.85 2wrn n TRP 64 Cb 0.00 -1.14 0.18 0.00 -0.81 0.00 0.00 31.31 29.54 2wrn n TRP 64 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 2wrn s LYS 65 N 0.19 0.62 0.00 -2.67 -2.85 -1.26 -4.79 119.74 108.97 2wrn s LYS 65 Ca 0.50 1.03 0.00 0.00 -1.00 0.00 0.00 55.97 56.50 2wrn s LYS 65 Cb -0.70 -1.72 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2wrn s LYS 65 CO 0.32 -2.74 0.00 1.28 0.10 0.00 0.00 175.35 174.32 2wrn n LEU 66 N -4.25 0.00 -0.44 2.77 4.32 -1.26 -4.95 117.00 113.18 2wrn n LEU 66 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.02 2wrn n LEU 66 Cb 0.54 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2wrn n LEU 66 CO 0.54 0.00 -0.04 -1.84 -1.22 0.00 0.00 177.39 174.83 2wrn n GLU 67 N 0.00 0.00 0.00 3.23 -0.00 -0.65 -1.97 120.64 121.24 2wrn n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2wrn n GLU 67 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 31.44 31.34 2wrn n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wrn n GLY 68 N 0.24 1.75 0.79 -1.84 0.00 -1.26 -3.94 105.19 100.93 2wrn n GLY 68 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2wrn n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wrn n GLU 69 N 0.00 0.21 0.00 1.61 4.07 -1.18 0.11 120.64 125.45 2wrn n GLU 69 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wrn n GLU 69 Cb 0.00 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 2wrn n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2wrn n LEU 70 N 0.68 0.00 -0.34 4.31 0.00 -0.83 -4.61 117.00 116.21 2wrn n LEU 70 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 56.01 56.26 2wrn n LEU 70 Cb 0.08 0.19 0.50 0.00 0.00 0.00 0.00 43.42 44.19 2wrn n LEU 70 CO 0.00 -0.33 1.12 -0.09 0.00 0.00 0.00 177.39 178.09 2wrn h ARG 71 N 0.00 0.28 0.21 1.96 9.65 -1.66 0.57 114.38 125.39 2wrn h ARG 71 Ca 0.00 -0.02 -0.30 0.00 -1.10 0.00 0.00 59.98 58.56 2wrn h ARG 71 Cb 0.00 -0.06 0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2wrn h ARG 71 CO 0.00 0.18 -1.32 0.00 2.80 0.00 0.00 179.97 181.63 2wrn h ALA 72 N 1.85 -0.12 -0.68 2.80 0.00 0.40 -3.30 119.26 120.21 2wrn h ALA 72 Ca 0.75 -0.81 0.15 0.00 0.00 0.00 0.00 54.91 54.99 2wrn h ALA 72 Cb 1.77 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.59 2wrn h ALA 72 CO -0.61 0.63 -0.07 1.49 0.00 0.00 0.00 179.25 180.70 2wrn h GLU 73 N 0.09 0.06 0.00 0.00 4.81 0.23 -2.81 114.58 116.96 2wrn h GLU 73 Ca -0.22 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2wrn h GLU 73 Cb 2.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.39 2wrn h GLU 73 CO 0.25 0.04 0.00 0.28 -0.73 0.00 0.00 179.01 178.85 2wrn n VAL 74 N -5.37 0.00 -0.20 0.32 0.31 -0.57 -1.07 118.33 111.75 2wrn n VAL 74 Ca 0.10 1.08 0.12 0.00 -0.01 0.00 0.00 64.34 65.63 2wrn n VAL 74 Cb 0.39 -1.51 0.24 0.00 -0.91 0.00 0.00 33.84 32.05 2wrn n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrn n ALA 75 N -1.89 0.41 -0.19 3.52 0.00 -1.06 0.41 120.51 121.72 2wrn n ALA 75 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 53.44 54.00 2wrn n ALA 75 Cb 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 2wrn n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn h ALA 76 N 1.20 -0.22 -0.85 0.00 0.00 -1.15 0.97 119.26 119.21 2wrn h ALA 76 Ca 0.41 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.58 2wrn h ALA 76 Cb 0.95 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2wrn h ALA 76 CO -0.53 -0.77 0.55 -0.91 0.00 0.00 0.00 179.25 177.59 2wrn h ASN 77 N -0.22 0.60 1.01 0.00 2.35 -0.10 1.14 115.58 120.36 2wrn h ASN 77 Ca 0.19 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2wrn h ASN 77 Cb 0.56 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2wrn h ASN 77 CO -0.66 0.32 0.00 0.40 -1.65 0.00 0.00 177.43 175.84 2wrn h ILE 78 N 0.64 0.00 -0.01 2.81 2.04 0.85 0.17 117.51 124.01 2wrn h ILE 78 Ca 0.42 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2wrn h ILE 78 Cb 0.70 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2wrn h ILE 78 CO -0.18 0.00 -0.72 0.29 0.00 0.00 0.00 178.15 177.55 2wrn n LYS 79 N -2.92 0.58 0.08 2.37 5.02 0.33 -3.30 118.16 120.32 2wrn n LYS 79 Ca 0.01 -0.48 -0.07 0.00 -2.02 0.00 0.00 58.31 55.75 2wrn n LYS 79 Cb 0.30 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 2wrn n LYS 79 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2wrn h ARG 80 N 1.16 0.07 -0.91 1.97 2.43 0.32 -1.75 114.38 117.66 2wrn h ARG 80 Ca 0.00 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2wrn h ARG 80 Cb 0.62 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2wrn h ARG 80 CO 0.00 0.95 0.00 1.28 -1.51 0.00 0.00 179.97 180.69 2wrn n LEU 81 N -3.50 2.07 -1.02 3.80 4.77 -0.16 -1.74 117.00 121.21 2wrn n LEU 81 Ca -0.02 -1.05 0.08 0.00 -0.03 0.00 0.00 56.01 54.99 2wrn n LEU 81 Cb 0.87 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 41.67 2wrn n LEU 81 CO 0.47 0.34 0.71 1.15 -1.33 0.00 0.00 177.39 178.73 2wrn n MET 82 N 0.14 3.16 0.00 3.23 0.00 -0.66 -4.35 117.12 118.64 2wrn n MET 82 Ca 0.06 -2.56 0.00 0.00 0.00 0.00 0.00 57.70 55.21 2wrn n MET 82 Cb 0.46 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.05 2wrn n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2wrn n ASP 83 N 0.44 0.00 -0.28 3.17 3.85 -0.71 -4.82 116.55 118.20 2wrn n ASP 83 Ca 0.19 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.32 2wrn n ASP 83 Cb 0.71 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.67 2wrn n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2wrn h ILE 84 N 0.00 0.76 0.00 2.12 1.08 -1.91 -3.44 117.51 116.12 2wrn h ILE 84 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2wrn h ILE 84 Cb 0.00 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2wrn h ILE 84 CO 0.00 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.18 2wrn n GLY 85 N -1.32 0.00 3.21 5.37 0.00 -1.26 -5.10 105.19 106.09 2wrn n GLY 85 Ca 0.15 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.66 2wrn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn h TYR 87 N 2.03 0.84 0.00 0.00 3.20 -1.98 5.19 116.97 126.25 2wrn h TYR 87 Ca -0.39 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2wrn h TYR 87 Cb 1.33 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2wrn h TYR 87 CO 0.47 -0.11 0.00 -2.13 -1.64 0.00 0.00 178.16 174.75 2wrn n ARG 88 N -5.03 0.06 -0.08 1.82 0.63 -1.26 -2.65 116.66 110.14 2wrn n ARG 88 Ca 0.28 0.29 -0.10 0.00 -0.92 0.00 0.00 57.85 57.40 2wrn n ARG 88 Cb 0.85 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 32.22 2wrn n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrn n GLY 89 N -0.65 -0.85 0.00 5.14 0.00 1.69 -4.72 105.19 105.80 2wrn n GLY 89 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wrn n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrn n LEU 90 N -4.54 0.00 0.00 0.99 4.77 -0.68 -2.72 117.00 114.83 2wrn n LEU 90 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2wrn n LEU 90 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wrn n LEU 90 CO 0.13 -1.16 0.00 0.54 -1.33 0.00 0.00 177.39 175.57 2wrn n ARG 91 N -1.15 0.00 -0.32 3.23 5.12 -1.26 -3.64 116.66 118.63 2wrn n ARG 91 Ca 0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 2wrn n ARG 91 Cb 0.00 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 31.50 2wrn n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2wrn h HIS 92 N 0.00 0.98 0.20 -1.55 3.86 -1.67 2.69 115.15 119.66 2wrn h HIS 92 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2wrn h HIS 92 Cb 0.00 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 2wrn h HIS 92 CO 0.00 0.38 -0.14 0.00 0.86 0.00 0.00 177.93 179.03 2wrn h ARG 93 N 0.87 -0.32 0.00 2.45 -0.00 -1.62 -2.28 114.38 113.49 2wrn h ARG 93 Ca 0.45 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.95 2wrn h ARG 93 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.48 2wrn h ARG 93 CO -0.26 -0.21 0.00 0.54 0.00 0.00 0.00 179.97 180.03 2wrn n ARG 94 N -3.12 0.45 -1.84 0.04 3.00 -0.98 -4.86 116.66 109.35 2wrn n ARG 94 Ca -0.04 0.04 -0.01 0.00 -0.01 0.00 0.00 57.85 57.84 2wrn n ARG 94 Cb 0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.10 2wrn n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrn n GLY 95 N 0.12 0.36 3.98 -0.13 0.00 0.84 -4.97 105.19 105.39 2wrn n GLY 95 Ca 0.11 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 2wrn n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrn s LEU 96 N -0.20 3.58 0.48 0.99 1.43 0.25 -4.50 118.68 120.71 2wrn s LEU 96 Ca 0.00 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 2wrn s LEU 96 Cb 0.00 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 2wrn s LEU 96 CO 0.00 -0.74 1.07 -2.16 0.23 0.00 0.00 176.35 174.75 2wrn s PRO 97 N -4.30 3.76 -0.49 1.29 0.04 -1.26 -4.17 135.00 129.87 2wrn s PRO 97 Ca 0.53 1.47 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2wrn s PRO 97 Cb -0.08 -2.17 0.35 0.00 0.04 0.00 0.00 34.50 32.64 2wrn s PRO 97 CO 0.32 -0.49 0.88 0.28 0.04 0.00 0.00 177.00 178.03 2wrn n VAL 98 N -0.86 1.78 -2.83 -0.36 0.31 -1.26 -4.81 118.33 110.29 2wrn n VAL 98 Ca 0.09 -5.10 -0.11 0.00 -0.01 0.00 0.00 64.34 59.20 2wrn n VAL 98 Cb 0.51 -0.90 0.03 0.00 -0.91 0.00 0.00 33.84 32.57 2wrn n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrn n ARG 99 N -0.06 1.08 -3.02 5.55 1.74 -1.26 -5.03 116.66 115.67 2wrn n ARG 99 Ca 0.28 -2.92 -0.01 0.00 -0.77 0.00 0.00 57.85 54.44 2wrn n ARG 99 Cb 0.52 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 2wrn n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrn n GLY 100 N 0.01 -1.24 3.53 -0.13 0.00 -1.26 -5.01 105.19 101.08 2wrn n GLY 100 Ca 0.12 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 2wrn n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrn s GLN 101 N -0.71 1.52 -0.61 1.61 -0.21 -1.26 -5.11 119.66 114.89 2wrn s GLN 101 Ca -0.04 -1.33 -0.23 0.00 0.02 0.00 0.00 55.36 53.78 2wrn s GLN 101 Cb 0.00 0.44 0.06 0.00 1.00 0.00 0.00 33.01 34.51 2wrn s GLN 101 CO 0.21 -0.62 0.94 0.50 -2.12 0.00 0.00 175.29 174.20 2wrn s ARG 102 N -3.98 3.19 0.00 2.91 3.52 -1.26 -4.84 118.95 118.49 2wrn s ARG 102 Ca 0.25 -0.64 0.28 0.00 -0.13 0.00 0.00 55.73 55.49 2wrn s ARG 102 Cb 0.00 -4.16 1.05 0.00 -1.56 0.00 0.00 34.95 30.28 2wrn s ARG 102 CO 0.10 -1.67 1.78 0.25 -0.81 0.00 0.00 175.30 174.95 2wrn n THR 103 N 6.00 0.00 0.07 4.11 -2.24 -1.25 -3.12 114.28 117.84 2wrn n THR 103 Ca -0.02 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2wrn n THR 103 Cb 0.46 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 2wrn n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wrn h ARG 104 N 0.11 0.02 -0.02 -0.78 2.43 -2.04 -3.35 114.38 110.74 2wrn h ARG 104 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wrn h ARG 104 Cb 0.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wrn h ARG 104 CO 0.00 0.98 0.00 0.25 -1.51 0.00 0.00 179.97 179.69 2wrn n THR 105 N -3.40 0.38 0.00 0.20 -2.24 -1.25 -5.08 114.28 102.89 2wrn n THR 105 Ca -0.01 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2wrn n THR 105 Cb 0.92 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 2wrn n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wrn n ASN 106 N -0.07 0.00 0.00 3.42 3.02 -1.18 -4.99 115.26 115.47 2wrn n ASN 106 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2wrn n ASN 106 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2wrn n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrn n ALA 107 N -0.55 0.00 0.00 5.41 0.00 -1.26 -3.90 120.51 120.20 2wrn n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrn n ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrn n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrn n ARG 108 N 0.00 0.00 -0.04 0.00 3.00 -1.26 -0.84 116.66 117.51 2wrn n ARG 108 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 2wrn n ARG 108 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 32.46 31.05 2wrn n ARG 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2wrn n THR 109 N -0.82 0.80 1.63 0.55 -1.04 -1.26 -4.24 114.28 109.90 2wrn n THR 109 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 2wrn n THR 109 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2wrn n THR 109 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wrn n ARG 110 N -3.56 0.84 -4.78 -2.82 1.74 -0.58 -4.57 116.66 102.92 2wrn n ARG 110 Ca -0.06 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 2wrn n ARG 110 Cb 0.21 -1.02 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 2wrn n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wrn s LYS 111 N -1.94 1.63 0.45 5.56 1.02 -0.02 -4.32 119.74 122.11 2wrn s LYS 111 Ca 0.00 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.19 2wrn s LYS 111 Cb 0.00 -1.44 -0.10 0.00 -0.52 0.00 0.00 37.83 35.77 2wrn s LYS 111 CO 0.00 0.24 0.91 0.41 -0.92 0.00 0.00 175.35 175.99 2wrn n GLY 112 N 3.11 -0.49 2.23 -3.33 0.00 -1.26 -4.59 105.19 100.86 2wrn n GLY 112 Ca -0.18 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2wrn n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrn n PRO 113 N 0.08 0.00 -0.92 1.61 -0.02 -1.26 -4.26 135.00 130.23 2wrn n PRO 113 Ca 0.10 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 2wrn n PRO 113 Cb 0.40 -0.67 -0.09 0.00 -0.02 0.00 0.00 33.50 33.12 2wrn n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrn n ARG 114 N 0.83 0.00 -2.97 -0.52 1.74 -1.26 -4.84 116.66 109.64 2wrn n ARG 114 Ca 0.09 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.73 2wrn n ARG 114 Cb 0.24 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 2wrn n ARG 114 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wrn s LYS 115 N 4.95 3.21 0.00 5.56 3.01 -1.26 -5.00 119.74 130.21 2wrn s LYS 115 Ca 0.86 -1.24 0.00 0.00 -1.01 0.00 0.00 55.97 54.58 2wrn s LYS 115 Cb -0.94 -4.39 0.00 0.00 -1.01 0.00 0.00 37.83 31.49 2wrn s LYS 115 CO 0.39 -1.70 0.00 2.41 0.51 0.00 0.00 175.35 176.96 2wrn n THR 116 N 5.65 0.00 -3.30 2.17 -1.04 -1.26 -4.82 114.28 111.68 2wrn n THR 116 Ca 0.01 0.28 -0.17 0.00 -2.04 0.00 0.00 64.05 62.12 2wrn n THR 116 Cb 0.45 -0.71 0.06 0.00 -1.82 0.00 0.00 70.33 68.31 2wrn n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wrn n VAL 117 N 0.00 -2.37 -3.90 12.58 0.31 -1.26 -4.99 118.33 118.70 2wrn n VAL 117 Ca 0.00 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 2wrn n VAL 117 Cb 0.00 -3.42 -0.04 0.00 -0.91 0.00 0.00 33.84 29.47 2wrn n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrn s ALA 118 N -3.24 3.98 0.00 3.52 0.00 -1.26 -5.05 121.76 119.71 2wrn s ALA 118 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2wrn s ALA 118 Cb -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2wrn s ALA 118 CO 0.54 0.80 0.00 0.41 0.00 0.00 0.00 175.76 177.51 2wrn n GLY 119 N 0.44 3.78 0.84 0.00 0.00 -1.26 -5.17 105.19 103.81 2wrn n GLY 119 Ca -0.06 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.55 2wrn n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrn n LYS 120 N 0.00 -0.21 -3.86 1.61 4.76 -1.26 -5.09 118.16 114.10 2wrn n LYS 120 Ca 0.00 0.14 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 2wrn n LYS 120 Cb 0.00 -0.26 0.02 0.00 -1.84 0.00 0.00 35.03 32.95 2wrn n LYS 120 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2wrn s LYS 121 N -0.98 1.65 0.00 1.97 1.02 -1.26 -5.18 119.74 116.96 2wrn s LYS 121 Ca 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2wrn s LYS 121 Cb 0.00 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.77 2wrn s LYS 121 CO 0.00 -0.77 0.00 1.63 -0.92 0.00 0.00 175.35 175.29 2wrn n LYS 122 N -0.65 0.00 -3.54 1.68 4.76 -1.26 -5.18 118.16 113.97 2wrn n LYS 122 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2wrn n LYS 122 Cb 0.60 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.75 2wrn n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrn s ALA 123 N -2.00 -2.20 0.00 7.82 0.00 -1.26 -5.17 121.76 118.95 2wrn s ALA 123 Ca 0.00 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2wrn s ALA 123 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2wrn s ALA 123 CO 0.00 -0.99 0.00 -0.35 0.00 0.00 0.00 175.76 174.42 2wrn n PRO 124 N 5.38 0.03 0.00 0.00 -0.04 -1.26 -4.69 135.00 134.42 2wrn n PRO 124 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2wrn n PRO 124 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2wrn n PRO 124 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrn n ARG 125 N 0.00 0.00 0.00 0.54 1.74 -1.26 -5.38 116.66 112.30 2wrn n ARG 125 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrn n ARG 125 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wrn n ARG 125 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28