#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s ASN 9 N 0.00 5.31 0.06 0.55 0.01 -1.26 -5.14 114.94 114.48 2wrn s ASN 9 Ca 0.00 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 51.94 2wrn s ASN 9 Cb 0.00 -0.58 -0.03 0.00 0.41 0.00 0.00 41.25 41.05 2wrn s ASN 9 CO 0.00 -1.09 -0.23 -0.22 -1.51 0.00 0.00 177.10 174.05 2wrn s LEU 10 N -4.63 2.21 -1.38 0.60 2.96 -1.26 -5.05 118.68 112.12 2wrn s LEU 10 Ca 0.58 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.75 2wrn s LEU 10 Cb -0.09 -1.06 0.07 0.00 0.50 0.00 0.00 46.19 45.61 2wrn s LEU 10 CO 0.37 0.17 2.02 -0.24 -1.32 0.00 0.00 176.35 177.34 2wrn n SER 11 N 1.59 4.36 0.00 3.68 2.88 -1.26 -3.12 113.62 121.75 2wrn n SER 11 Ca -0.18 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 2wrn n SER 11 Cb 0.53 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2wrn n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wrn n ALA 12 N 6.50 0.43 0.17 -1.46 0.00 -1.26 -4.55 120.51 120.33 2wrn n ALA 12 Ca 0.49 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.99 2wrn n ALA 12 Cb 0.41 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.39 2wrn n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrn h LEU 13 N 0.00 0.16 -0.95 0.00 3.38 -1.98 1.71 115.31 117.63 2wrn h LEU 13 Ca 0.00 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.22 2wrn h LEU 13 Cb 0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 2wrn h LEU 13 CO 0.00 0.16 0.47 0.50 0.09 0.00 0.00 178.44 179.66 2wrn h LYS 14 N 0.18 0.39 0.00 1.13 3.64 -1.83 2.64 116.57 122.72 2wrn h LYS 14 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wrn h LYS 14 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wrn h LYS 14 CO -0.00 0.26 0.00 0.54 -2.27 0.00 0.00 179.45 177.97 2wrn n ARG 15 N -5.03 0.13 -0.12 1.90 5.12 0.58 -2.32 116.66 116.92 2wrn n ARG 15 Ca 0.26 0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.99 2wrn n ARG 15 Cb 0.77 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.47 2wrn n ARG 15 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2wrn n HIS 16 N -1.43 0.53 -0.16 -1.55 -0.00 0.87 -3.90 115.22 109.58 2wrn n HIS 16 Ca 0.08 0.23 -0.04 0.00 0.46 0.00 0.00 57.72 58.45 2wrn n HIS 16 Cb 0.27 -1.02 0.05 0.00 -0.12 0.00 0.00 29.99 29.18 2wrn n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wrn h ARG 17 N -1.00 0.42 0.00 1.57 3.08 -1.11 0.67 114.38 118.00 2wrn h ARG 17 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wrn h ARG 17 Cb 1.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wrn h ARG 17 CO -0.29 0.27 0.00 0.94 -1.07 0.00 0.00 179.97 179.83 2wrn n GLN 18 N -4.94 0.00 0.01 0.04 7.27 -0.98 -2.20 117.38 116.59 2wrn n GLN 18 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.09 2wrn n GLN 18 Cb 0.16 -1.27 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 2wrn n GLN 18 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2wrn n SER 19 N -0.74 1.23 -0.16 1.69 2.88 0.22 -4.34 113.62 114.41 2wrn n SER 19 Ca 0.00 0.17 0.26 0.00 -1.33 0.00 0.00 58.87 57.98 2wrn n SER 19 Cb 0.00 -0.42 0.45 0.00 -0.75 0.00 0.00 64.21 63.50 2wrn n SER 19 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wrn h LEU 20 N -0.23 0.00 0.00 2.46 3.38 -0.76 2.00 115.31 122.16 2wrn h LEU 20 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wrn h LEU 20 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wrn h LEU 20 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 2wrn n LYS 21 N -3.26 0.00 -0.08 1.13 5.02 -1.11 -3.05 118.16 116.81 2wrn n LYS 21 Ca 0.21 0.17 0.20 0.00 -2.02 0.00 0.00 58.31 56.87 2wrn n LYS 21 Cb 1.42 -0.89 0.64 0.00 -0.02 0.00 0.00 35.03 36.17 2wrn n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrn h ARG 22 N 0.00 0.13 -0.30 1.97 3.08 -1.19 0.43 114.38 118.50 2wrn h ARG 22 Ca 0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2wrn h ARG 22 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wrn h ARG 22 CO 0.00 0.08 0.48 -0.09 -1.07 0.00 0.00 179.97 179.38 2wrn h ARG 23 N 0.13 0.00 0.00 0.04 1.12 0.30 -2.25 114.38 113.73 2wrn h ARG 23 Ca 0.32 0.00 -0.30 0.00 -1.11 0.00 0.00 59.98 58.89 2wrn h ARG 23 Cb 1.07 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.99 2wrn h ARG 23 CO -0.04 0.00 -2.00 -0.11 -3.11 0.00 0.00 179.97 174.71 2wrn n LEU 24 N -3.36 1.31 -0.28 3.80 -0.00 0.13 -4.15 117.00 114.45 2wrn n LEU 24 Ca 0.05 0.21 0.22 0.00 -0.00 0.00 0.00 56.01 56.48 2wrn n LEU 24 Cb 0.62 -0.53 0.40 0.00 -0.00 0.00 0.00 43.42 43.92 2wrn n LEU 24 CO 0.21 0.38 0.81 -1.14 -0.00 0.00 0.00 177.39 177.66 2wrn n ARG 25 N -3.78 -0.06 0.02 1.96 0.63 -0.08 0.18 116.66 115.54 2wrn n ARG 25 Ca -0.35 1.20 0.11 0.00 -0.92 0.00 0.00 57.85 57.89 2wrn n ARG 25 Cb 0.75 -2.06 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 2wrn n ARG 25 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2wrn n ASN 26 N -5.02 0.50 -0.05 6.15 2.04 -0.99 -3.70 115.26 114.18 2wrn n ASN 26 Ca 0.27 -0.16 -0.11 0.00 -0.44 0.00 0.00 54.58 54.14 2wrn n ASN 26 Cb 0.92 1.15 -0.04 0.00 -2.53 0.00 0.00 39.78 39.28 2wrn n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2wrn h LYS 27 N 0.00 0.27 0.55 -3.83 3.11 0.18 -0.43 116.57 116.42 2wrn h LYS 27 Ca 0.00 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 2wrn h LYS 27 Cb 0.83 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 32.01 2wrn h LYS 27 CO 0.00 0.32 -0.26 0.00 -2.81 0.00 0.00 179.45 176.69 2wrn h ALA 28 N 0.94 -0.74 -1.06 5.00 0.00 -1.38 -1.27 119.26 120.76 2wrn h ALA 28 Ca 0.06 -0.17 0.31 0.00 0.00 0.00 0.00 54.91 55.11 2wrn h ALA 28 Cb 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2wrn h ALA 28 CO -0.01 -0.90 0.76 0.87 0.00 0.00 0.00 179.25 179.98 2wrn h LYS 29 N -0.77 0.00 0.00 0.00 1.57 -1.60 -1.26 116.57 114.50 2wrn h LYS 29 Ca -0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wrn h LYS 29 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2wrn h LYS 29 CO 0.12 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.17 2wrn n LYS 30 N -4.22 0.00 0.00 3.15 3.00 -0.18 -3.45 118.16 116.46 2wrn n LYS 30 Ca 0.22 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 2wrn n LYS 30 Cb 1.12 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 35.17 2wrn n LYS 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2wrn n SER 31 N -1.00 0.00 0.08 3.14 3.41 -0.57 0.36 113.62 119.03 2wrn n SER 31 Ca 0.00 0.15 -0.23 0.00 -0.26 0.00 0.00 58.87 58.53 2wrn n SER 31 Cb 0.00 -0.15 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 2wrn n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrn h ALA 32 N 0.79 0.01 0.00 7.33 0.00 -1.29 -2.58 119.26 123.51 2wrn h ALA 32 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 54.91 53.88 2wrn h ALA 32 Cb 0.46 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wrn h ALA 32 CO 0.00 0.73 -0.42 0.82 0.00 0.00 0.00 179.25 180.38 2wrn h ILE 33 N -0.08 1.17 0.35 0.00 2.04 -0.12 0.25 117.51 121.12 2wrn h ILE 33 Ca -0.26 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 2wrn h ILE 33 Cb 1.94 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 2wrn h ILE 33 CO 0.18 0.41 -0.17 0.11 0.00 0.00 0.00 178.15 178.68 2wrn h LYS 34 N 0.00 -0.45 0.00 2.37 1.57 -1.58 0.27 116.57 118.75 2wrn h LYS 34 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wrn h LYS 34 Cb 0.81 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2wrn h LYS 34 CO 0.05 -0.19 0.00 0.25 -0.57 0.00 0.00 179.45 179.00 2wrn n THR 35 N -5.09 1.30 -0.02 -0.16 -2.24 -0.97 -1.14 114.28 105.96 2wrn n THR 35 Ca -0.08 0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 62.15 2wrn n THR 35 Cb 0.24 -1.38 -0.00 0.00 -2.10 0.00 0.00 70.33 67.09 2wrn n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wrn h LEU 36 N 0.00 0.00 -0.82 3.22 7.12 -0.35 -3.22 115.31 121.26 2wrn h LEU 36 Ca 0.00 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.16 2wrn h LEU 36 Cb 0.13 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 40.11 2wrn h LEU 36 CO 0.00 0.16 -0.26 0.28 -0.13 0.00 0.00 178.44 178.49 2wrn h SER 37 N -0.27 -0.96 0.07 1.25 0.02 -0.06 0.21 113.55 113.82 2wrn h SER 37 Ca 0.00 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2wrn h SER 37 Cb 0.06 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2wrn h SER 37 CO 0.00 -0.28 -0.12 0.11 -1.14 0.00 0.00 176.83 175.40 2wrn h LYS 38 N -0.03 -0.20 0.00 3.45 1.57 -1.33 0.25 116.57 120.29 2wrn h LYS 38 Ca 0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2wrn h LYS 38 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2wrn h LYS 38 CO -0.85 -0.13 0.03 1.17 -0.57 0.00 0.00 179.45 179.10 2wrn n LYS 39 N -3.08 0.00 0.00 3.15 4.81 -0.50 0.05 118.16 122.58 2wrn n LYS 39 Ca -0.02 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2wrn n LYS 39 Cb 0.10 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2wrn n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrn n ALA 40 N -0.94 0.00 -0.21 3.14 0.00 0.74 -4.26 120.51 118.98 2wrn n ALA 40 Ca 0.00 -0.08 0.23 0.00 0.00 0.00 0.00 53.44 53.59 2wrn n ALA 40 Cb 0.03 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.09 2wrn n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2wrn h ILE 41 N 0.00 0.62 -0.12 0.00 3.07 -0.94 0.67 117.51 120.81 2wrn h ILE 41 Ca 0.00 -0.08 0.03 0.00 1.55 0.00 0.00 64.86 66.37 2wrn h ILE 41 Cb 0.00 0.37 -0.00 0.00 -0.27 0.00 0.00 36.82 36.91 2wrn h ILE 41 CO 0.00 0.04 0.52 -0.61 -1.05 0.00 0.00 178.15 177.05 2wrn h GLN 42 N 0.23 0.00 0.00 0.16 5.75 -0.56 -0.03 115.11 120.66 2wrn h GLN 42 Ca 0.45 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.95 2wrn h GLN 42 Cb 1.41 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.96 2wrn h GLN 42 CO -0.11 0.00 -1.03 1.28 -2.65 0.00 0.00 178.83 176.32 2wrn n LEU 43 N -2.97 0.00 0.18 -2.39 4.77 0.22 -4.43 117.00 112.39 2wrn n LEU 43 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2wrn n LEU 43 Cb 0.59 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.20 2wrn n LEU 43 CO 0.14 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.10 2wrn h ALA 44 N 0.06 1.00 0.00 -1.18 0.00 0.50 -1.35 119.26 118.29 2wrn h ALA 44 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2wrn h ALA 44 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wrn h ALA 44 CO 0.00 0.00 -2.17 0.00 0.00 0.00 0.00 179.25 177.08 2wrn n GLN 45 N -2.60 0.68 0.05 0.00 0.00 -0.90 -3.17 117.38 111.43 2wrn n GLN 45 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 57.00 56.85 2wrn n GLN 45 Cb 0.31 -1.52 0.11 0.00 0.00 0.00 0.00 30.24 29.15 2wrn n GLN 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2wrn h GLU 46 N 0.00 0.38 0.00 2.61 4.81 -1.74 -3.47 114.58 117.16 2wrn h GLU 46 Ca -0.25 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2wrn h GLU 46 Cb 1.56 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.96 2wrn h GLU 46 CO 0.01 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 179.52 2wrn n GLY 47 N 0.17 1.92 1.73 1.92 0.00 -1.10 -5.04 105.19 104.78 2wrn n GLY 47 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2wrn n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrn n LYS 48 N 0.00 1.72 0.00 1.61 4.76 -0.53 -4.82 118.16 120.89 2wrn n LYS 48 Ca 0.00 -1.60 0.00 0.00 -2.87 0.00 0.00 58.31 53.84 2wrn n LYS 48 Cb 0.00 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 2wrn n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrn n ALA 49 N -0.16 0.00 -0.97 7.82 0.00 -1.26 0.38 120.51 126.31 2wrn n ALA 49 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2wrn n ALA 49 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 2wrn n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wrn n GLU 50 N -1.58 0.00 -0.03 0.00 2.13 -1.26 -2.42 120.64 117.48 2wrn n GLU 50 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2wrn n GLU 50 Cb 0.00 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2wrn n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2wrn n GLU 51 N -0.65 0.37 0.04 5.31 0.28 -0.12 -2.12 120.64 123.74 2wrn n GLU 51 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 2wrn n GLU 51 Cb 0.00 -1.31 -0.00 0.00 1.43 0.00 0.00 31.44 31.55 2wrn n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wrn n ALA 52 N 0.99 2.88 -0.33 -1.84 0.00 0.16 -4.60 120.51 117.76 2wrn n ALA 52 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2wrn n ALA 52 Cb 0.19 0.25 0.16 0.00 0.00 0.00 0.00 19.45 20.04 2wrn n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrn h LEU 53 N -0.06 0.90 -0.73 0.00 4.07 -1.14 0.31 115.31 118.68 2wrn h LEU 53 Ca -0.00 0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.12 2wrn h LEU 53 Cb 0.09 -0.17 -0.14 0.00 1.08 0.00 0.00 40.66 41.53 2wrn h LEU 53 CO -0.00 0.57 -0.19 1.17 -1.08 0.00 0.00 178.44 178.91 2wrn n LYS 54 N -4.59 -0.07 -0.03 1.13 4.81 -0.90 0.17 118.16 118.67 2wrn n LYS 54 Ca 0.14 1.13 -0.16 0.00 -0.87 0.00 0.00 58.31 58.55 2wrn n LYS 54 Cb 0.20 -1.69 -0.08 0.00 0.02 0.00 0.00 35.03 33.48 2wrn n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2wrn h ILE 55 N 0.00 1.34 0.00 3.15 1.08 -1.21 -1.92 117.51 119.96 2wrn h ILE 55 Ca 0.34 -1.81 -0.04 0.00 -0.39 0.00 0.00 64.86 62.96 2wrn h ILE 55 Cb 0.52 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.36 2wrn h ILE 55 CO -0.75 0.55 -0.21 -0.03 -0.69 0.00 0.00 178.15 177.03 2wrn h MET 56 N 0.22 0.00 0.00 2.37 4.05 0.17 1.14 114.93 122.88 2wrn h MET 56 Ca -0.03 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 2wrn h MET 56 Cb 1.16 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 2wrn h MET 56 CO 0.11 0.21 -0.52 -0.09 0.23 0.00 0.00 176.91 176.84 2wrn h ARG 57 N 0.00 0.00 0.24 0.39 2.43 0.17 -1.75 114.38 115.86 2wrn h ARG 57 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.85 2wrn h ARG 57 Cb 0.37 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2wrn h ARG 57 CO 0.03 0.52 -1.37 -0.22 -1.51 0.00 0.00 179.97 177.42 2wrn h LYS 58 N 0.00 0.51 0.55 0.20 1.63 -0.20 -3.30 116.57 115.96 2wrn h LYS 58 Ca -0.01 -0.87 -0.02 0.00 -0.85 0.00 0.00 60.65 58.90 2wrn h LYS 58 Cb 1.30 0.32 -0.00 0.00 -0.60 0.00 0.00 32.23 33.25 2wrn h LYS 58 CO 0.07 1.41 -0.33 0.00 -3.45 0.00 0.00 179.45 177.15 2wrn h ALA 59 N 0.14 -1.16 -0.74 5.00 0.00 0.13 -2.06 119.26 120.57 2wrn h ALA 59 Ca -0.24 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.68 2wrn h ALA 59 Cb 2.09 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 20.18 2wrn h ALA 59 CO 0.26 -1.13 -0.07 -1.91 0.00 0.00 0.00 179.25 176.40 2wrn n GLU 60 N -4.45 -0.06 0.33 0.00 2.13 -0.67 0.46 120.64 118.38 2wrn n GLU 60 Ca -0.10 1.12 -0.15 0.00 0.66 0.00 0.00 57.16 58.69 2wrn n GLU 60 Cb 0.34 -1.74 -0.07 0.00 0.27 0.00 0.00 31.44 30.23 2wrn n GLU 60 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wrn h SER 61 N 0.00 -0.94 -0.05 4.31 0.87 -1.56 -1.28 113.55 114.90 2wrn h SER 61 Ca 0.41 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 61.04 2wrn h SER 61 Cb 0.77 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2wrn h SER 61 CO -0.72 -0.58 0.05 0.25 -0.53 0.00 0.00 176.83 175.30 2wrn h LEU 62 N -0.92 0.00 0.09 2.23 6.46 0.71 -2.31 115.31 121.57 2wrn h LEU 62 Ca -0.08 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2wrn h LEU 62 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2wrn h LEU 62 CO 0.09 0.00 -0.04 0.40 -0.62 0.00 0.00 178.44 178.26 2wrn h ILE 63 N 0.00 1.06 -0.20 4.05 2.04 0.02 -3.12 117.51 121.36 2wrn h ILE 63 Ca 0.03 -1.41 0.02 0.00 1.00 0.00 0.00 64.86 64.49 2wrn h ILE 63 Cb 0.13 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2wrn h ILE 63 CO -0.00 0.30 0.08 0.44 0.00 0.00 0.00 178.15 178.97 2wrn h ASP 64 N -0.86 0.09 -0.50 1.72 5.19 -1.04 -1.61 116.42 119.41 2wrn h ASP 64 Ca -0.01 0.02 0.14 0.00 -0.62 0.00 0.00 57.03 56.56 2wrn h ASP 64 Cb 0.58 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2wrn h ASP 64 CO 0.02 0.08 0.36 0.11 -3.12 0.00 0.00 179.24 176.69 2wrn h LYS 65 N 0.18 0.00 -0.74 3.56 1.57 -1.55 1.42 116.57 121.00 2wrn h LYS 65 Ca 0.08 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2wrn h LYS 65 Cb 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2wrn h LYS 65 CO -0.08 0.00 0.28 0.00 -0.57 0.00 0.00 179.45 179.08 2wrn h ALA 66 N 1.75 0.97 -0.88 3.86 0.00 -1.23 -1.33 119.26 122.39 2wrn h ALA 66 Ca 0.24 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2wrn h ALA 66 Cb 0.95 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2wrn h ALA 66 CO -0.00 0.61 0.53 0.00 0.00 0.00 0.00 179.25 180.39 2wrn h ALA 67 N 1.14 1.26 0.00 0.00 0.00 0.22 0.47 119.26 122.35 2wrn h ALA 67 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wrn h ALA 67 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wrn h ALA 67 CO -0.02 0.20 0.64 0.87 0.00 0.00 0.00 179.25 180.95 2wrn h LYS 68 N 0.91 0.00 -5.15 0.00 1.57 -0.04 -3.43 116.57 110.43 2wrn h LYS 68 Ca 0.41 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.53 2wrn h LYS 68 Cb 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.50 2wrn h LYS 68 CO -0.23 0.00 -0.51 0.20 -0.57 0.00 0.00 179.45 178.34 2wrn s GLY 69 N -3.37 3.00 0.00 3.86 0.00 0.16 -5.00 107.32 105.97 2wrn s GLY 69 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2wrn s GLY 69 CO 0.14 -2.15 0.80 1.44 0.00 0.00 0.00 173.10 173.33 2wrn n SER 70 N -1.30 0.00 0.00 1.64 7.64 -1.26 -4.31 113.62 116.04 2wrn n SER 70 Ca -0.18 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2wrn n SER 70 Cb 0.67 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2wrn n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wrn n THR 71 N -1.30 0.00 -2.08 0.44 -1.04 -1.26 -4.78 114.28 104.26 2wrn n THR 71 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2wrn n THR 71 Cb 0.05 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 2wrn n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wrn s LEU 72 N 0.00 4.37 0.00 -4.42 1.43 -1.26 -4.98 118.68 113.82 2wrn s LEU 72 Ca 0.00 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2wrn s LEU 72 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2wrn s LEU 72 CO 0.00 -0.72 0.00 1.41 0.23 0.00 0.00 176.35 177.27 2wrn n HIS 73 N 3.93 0.00 0.00 0.29 8.25 -1.26 -3.03 115.22 123.40 2wrn n HIS 73 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2wrn n HIS 73 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2wrn n HIS 73 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2wrn n LYS 74 N 0.00 0.00 0.27 -0.41 0.00 -1.26 -0.51 118.16 116.25 2wrn n LYS 74 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 2wrn n LYS 74 Cb 0.00 0.00 0.78 0.00 -0.00 0.00 0.00 35.03 35.81 2wrn n LYS 74 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2wrn h ASN 75 N 0.00 0.00 -0.98 -5.58 2.35 -1.97 -3.24 115.58 106.16 2wrn h ASN 75 Ca 0.00 0.00 0.38 0.00 -0.55 0.00 0.00 56.30 56.13 2wrn h ASN 75 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 2wrn h ASN 75 CO 0.00 0.09 0.58 0.00 -1.65 0.00 0.00 177.43 176.44 2wrn n ALA 76 N -2.27 0.99 -0.08 -0.83 0.00 0.33 0.19 120.51 118.83 2wrn n ALA 76 Ca -0.02 0.82 -0.11 0.00 0.00 0.00 0.00 53.44 54.13 2wrn n ALA 76 Cb 0.20 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 2wrn n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn n ALA 77 N -2.44 1.63 0.16 0.00 0.00 -1.17 -3.89 120.51 114.80 2wrn n ALA 77 Ca 0.33 -0.82 0.19 0.00 0.00 0.00 0.00 53.44 53.14 2wrn n ALA 77 Cb 1.19 0.04 0.75 0.00 0.00 0.00 0.00 19.45 21.43 2wrn n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn h ALA 78 N 0.22 1.90 -0.17 0.00 0.00 -0.87 0.64 119.26 120.98 2wrn h ALA 78 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wrn h ALA 78 Cb 1.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2wrn h ALA 78 CO -0.04 -0.59 0.00 -2.13 0.00 0.00 0.00 179.25 176.49 2wrn n ARG 79 N -3.44 0.00 -0.03 0.00 0.63 0.49 -3.56 116.66 110.76 2wrn n ARG 79 Ca 0.05 0.47 0.22 0.00 -0.92 0.00 0.00 57.85 57.67 2wrn n ARG 79 Cb 0.58 -1.05 0.51 0.00 0.45 0.00 0.00 32.46 32.95 2wrn n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrn h ARG 80 N 0.00 0.00 0.26 -0.14 3.08 -1.23 -1.32 114.38 115.03 2wrn h ARG 80 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2wrn h ARG 80 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wrn h ARG 80 CO 0.00 0.00 -0.12 0.87 -1.07 0.00 0.00 179.97 179.65 2wrn h LYS 81 N 0.00 -0.33 0.00 0.04 1.57 -1.08 -2.12 116.57 114.65 2wrn h LYS 81 Ca 0.32 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2wrn h LYS 81 Cb 2.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.50 2wrn h LYS 81 CO -0.00 -0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.52 2wrn n SER 82 N -4.60 0.00 0.00 0.86 3.41 -0.50 0.64 113.62 113.43 2wrn n SER 82 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wrn n SER 82 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2wrn n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wrn n ARG 83 N -0.17 1.35 0.00 4.33 1.74 -1.23 -4.25 116.66 118.44 2wrn n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrn n ARG 83 Cb 0.00 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2wrn n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wrn n LEU 84 N -1.57 0.17 0.13 0.55 7.94 0.21 0.18 117.00 124.60 2wrn n LEU 84 Ca 0.00 0.74 0.10 0.00 -1.11 0.00 0.00 56.01 55.73 2wrn n LEU 84 Cb 0.27 -0.42 0.47 0.00 0.53 0.00 0.00 43.42 44.27 2wrn n LEU 84 CO 0.00 -0.42 0.79 1.15 -1.11 0.00 0.00 177.39 177.79 2wrn n MET 85 N -1.77 0.13 0.00 1.96 0.00 -0.74 0.43 117.12 117.12 2wrn n MET 85 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 57.70 58.25 2wrn n MET 85 Cb 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 33.22 31.36 2wrn n MET 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2wrn h ARG 86 N 0.00 -0.01 -0.52 3.17 2.43 -1.64 -3.21 114.38 114.60 2wrn h ARG 86 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2wrn h ARG 86 Cb 0.09 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.55 2wrn h ARG 86 CO 0.00 -0.01 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.06 2wrn h LYS 87 N -0.08 -0.05 0.00 0.20 1.63 0.26 -2.55 116.57 115.98 2wrn h LYS 87 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wrn h LYS 87 Cb 0.01 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2wrn h LYS 87 CO 0.00 -0.03 0.00 0.28 -3.45 0.00 0.00 179.45 176.25 2wrn n VAL 88 N -5.39 0.00 -0.33 2.00 0.31 0.17 -1.91 118.33 113.18 2wrn n VAL 88 Ca 0.05 1.36 0.26 0.00 -0.01 0.00 0.00 64.34 65.99 2wrn n VAL 88 Cb 0.30 -2.00 0.56 0.00 -0.91 0.00 0.00 33.84 31.79 2wrn n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrn h ARG 89 N 0.00 0.29 -0.01 5.55 2.43 -1.53 1.05 114.38 122.16 2wrn h ARG 89 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wrn h ARG 89 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2wrn h ARG 89 CO 0.00 0.19 0.00 1.04 -1.51 0.00 0.00 179.97 179.69 2wrn n GLN 90 N -4.56 0.58 0.00 0.20 1.13 -0.80 -1.49 117.38 112.45 2wrn n GLN 90 Ca 0.26 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 2wrn n GLN 90 Cb 0.97 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 30.32 2wrn n GLN 90 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wrn n LEU 91 N -0.49 2.09 -3.35 1.08 4.77 0.35 -4.71 117.00 116.74 2wrn n LEU 91 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2wrn n LEU 91 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2wrn n LEU 91 CO 0.00 0.35 2.94 0.18 -1.33 0.00 0.00 177.39 179.53 2wrn n LEU 92 N -2.24 7.15 0.00 2.23 4.77 -0.55 -1.07 117.00 127.29 2wrn n LEU 92 Ca 0.00 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 2wrn n LEU 92 Cb 0.42 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2wrn n LEU 92 CO 0.00 1.38 0.00 -1.84 -1.33 0.00 0.00 177.39 175.60 2wrn n GLU 93 N 4.34 0.00 -0.26 3.23 0.00 -1.25 -4.08 120.64 122.62 2wrn n GLU 93 Ca 0.64 -0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.83 2wrn n GLU 93 Cb 0.24 -0.01 0.14 0.00 0.00 0.00 0.00 31.44 31.81 2wrn n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wrn n ALA 94 N 0.00 2.81 0.00 -1.84 0.00 -0.23 -4.66 120.51 116.58 2wrn n ALA 94 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2wrn n ALA 94 Cb 0.32 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2wrn n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn n ALA 95 N 0.26 0.00 0.02 0.00 0.00 -1.26 -5.08 120.51 114.44 2wrn n ALA 95 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 2wrn n ALA 95 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2wrn n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 96 N 0.00 -0.07 1.52 0.00 0.00 -1.26 -5.00 105.19 100.37 2wrn n GLY 96 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2wrn n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ALA 97 N -3.18 -2.60 -1.34 4.61 0.00 -1.26 -4.65 120.51 112.09 2wrn n ALA 97 Ca -0.01 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 2wrn n ALA 97 Cb 0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2wrn n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrn n PRO 98 N 0.76 0.07 0.00 0.00 -0.04 -1.26 -4.81 135.00 129.71 2wrn n PRO 98 Ca 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2wrn n PRO 98 Cb 0.00 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 29.97 2wrn n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wrn n LEU 99 N 17.03 0.00 -4.57 1.53 4.77 -1.26 -3.35 117.00 131.15 2wrn n LEU 99 Ca 0.39 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 56.28 2wrn n LEU 99 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2wrn n LEU 99 CO 0.69 0.00 1.28 -0.63 -1.33 0.00 0.00 177.39 177.40 2wrn s ILE 100 N -0.22 3.25 0.00 -0.08 1.09 -1.26 -4.76 121.20 119.22 2wrn s ILE 100 Ca 0.00 -0.33 -0.00 0.00 -1.10 0.00 0.00 60.65 59.21 2wrn s ILE 100 Cb 0.00 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 2wrn s ILE 100 CO 0.00 -0.49 0.60 0.61 -0.10 0.00 0.00 174.94 175.56 2wrn n GLY 101 N 6.38 1.02 0.00 6.18 0.00 -1.21 -4.61 105.19 112.95 2wrn n GLY 101 Ca 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wrn n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrn n GLY 102 N 2.45 -1.73 0.30 -0.02 0.00 -1.26 -4.64 105.19 100.28 2wrn n GLY 102 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2wrn n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wrn h GLY 103 N 0.00 -0.77 -1.40 -0.02 0.00 -1.85 -3.45 103.07 95.58 2wrn h GLY 103 Ca 0.00 0.28 -0.49 0.00 0.00 0.00 0.00 47.33 47.13 2wrn h GLY 103 CO 0.00 -0.28 -0.20 -0.10 0.00 0.00 0.00 176.54 175.96 2wrn n LEU 104 N -4.59 0.38 -4.10 3.11 0.00 -1.26 -5.03 117.00 105.51 2wrn n LEU 104 Ca -0.09 0.15 -0.18 0.00 0.00 0.00 0.00 56.01 55.89 2wrn n LEU 104 Cb 0.29 -1.28 -0.13 0.00 0.00 0.00 0.00 43.42 42.29 2wrn n LEU 104 CO 0.22 -2.94 -0.44 -0.94 0.00 0.00 0.00 177.39 173.29 2wrn s SER 105 N -2.33 1.35 0.00 1.96 1.04 -1.26 -4.88 113.70 109.58 2wrn s SER 105 Ca 0.64 -0.41 0.25 0.00 0.48 0.00 0.00 55.95 56.91 2wrn s SER 105 Cb -0.22 -0.08 0.46 0.00 0.10 0.00 0.00 66.02 66.28 2wrn s SER 105 CO 0.63 -0.00 1.41 0.00 0.98 0.00 0.00 173.24 176.26