#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wus h LYS 4 N 0.00 0.00 0.00 5.31 1.63 -1.90 -3.22 116.57 118.39 2wus h LYS 4 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2wus h LYS 4 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2wus h LYS 4 CO 0.00 0.40 -0.04 -1.49 -3.45 0.00 0.00 179.45 174.87 2wus h TRP 5 N 0.00 0.00 0.01 1.91 6.55 -1.89 -2.67 115.95 119.86 2wus h TRP 5 Ca -0.04 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 59.58 2wus h TRP 5 Cb 1.39 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.68 2wus h TRP 5 CO 0.00 0.04 -0.94 -0.22 -1.05 0.00 0.00 178.44 176.27 2wus h LYS 6 N 0.00 0.32 -0.86 0.49 3.64 -1.81 0.44 116.57 118.78 2wus h LYS 6 Ca -0.00 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2wus h LYS 6 Cb 0.63 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2wus h LYS 6 CO 0.01 1.05 0.48 0.93 -2.27 0.00 0.00 179.45 179.65 2wus h GLU 7 N 0.17 1.20 0.00 1.90 5.08 -1.65 0.50 114.58 121.78 2wus h GLU 7 Ca -0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2wus h GLU 7 Cb 1.57 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2wus h GLU 7 CO 0.15 0.88 0.00 -0.11 -1.00 0.00 0.00 179.01 178.93 2wus n LEU 8 N -4.37 0.01 -0.30 1.33 -0.00 -1.03 -0.70 117.00 111.94 2wus n LEU 8 Ca 0.09 0.94 -0.08 0.00 -0.00 0.00 0.00 56.01 56.96 2wus n LEU 8 Cb 0.09 -0.49 -0.07 0.00 -0.00 0.00 0.00 43.42 42.95 2wus n LEU 8 CO 0.39 -0.49 0.47 0.61 -0.00 0.00 0.00 177.39 178.37 2wus n GLY 9 N -0.71 -2.68 0.17 -3.96 0.00 0.15 -1.72 105.19 96.44 2wus n GLY 9 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.98 2wus n GLY 9 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wus h GLU 10 N 0.00 0.08 -0.98 1.61 4.81 0.10 0.10 114.58 120.30 2wus h GLU 10 Ca 0.11 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 2wus h GLU 10 Cb 0.29 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 2wus h GLU 10 CO -0.67 0.05 0.62 1.15 -0.73 0.00 0.00 179.01 179.44 2wus h THR 11 N 0.08 0.92 0.76 0.32 2.02 -0.43 0.37 112.91 116.96 2wus h THR 11 Ca 0.21 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2wus h THR 11 Cb 0.31 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2wus h THR 11 CO -0.37 0.17 -0.37 -0.26 0.37 0.00 0.00 175.52 175.07 2wus h PHE 12 N 0.96 -0.95 -0.64 3.16 0.04 -0.02 -2.60 116.94 116.89 2wus h PHE 12 Ca 0.48 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 61.36 2wus h PHE 12 Cb 0.49 0.31 -0.12 0.00 2.20 0.00 0.00 35.95 38.84 2wus h PHE 12 CO -0.00 -0.59 -0.13 -0.09 -0.60 0.00 0.00 178.31 176.89 2wus h ARG 13 N -1.07 0.02 -0.82 1.51 1.12 -0.27 -0.74 114.38 114.12 2wus h ARG 13 Ca -0.10 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.78 2wus h ARG 13 Cb 0.79 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.70 2wus h ARG 13 CO 0.17 0.01 0.55 1.57 -3.11 0.00 0.00 179.97 179.16 2wus h LYS 14 N 0.02 1.05 0.00 0.20 2.10 -0.32 -1.93 116.57 117.69 2wus h LYS 14 Ca 0.31 -0.06 -0.20 0.00 -2.00 0.00 0.00 60.65 58.70 2wus h LYS 14 Cb 0.49 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2wus h LYS 14 CO -0.64 0.69 -1.01 -0.22 -2.00 0.00 0.00 179.45 176.27 2wus h LYS 15 N 1.08 0.00 -0.22 0.07 3.11 -0.77 -1.13 116.57 118.71 2wus h LYS 15 Ca 0.31 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.99 2wus h LYS 15 Cb -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2wus h LYS 15 CO -0.08 0.81 -0.52 -0.09 -2.81 0.00 0.00 179.45 176.76 2wus h ARG 16 N 0.00 0.62 -0.00 1.90 2.43 -1.05 -3.14 114.38 115.14 2wus h ARG 16 Ca -0.05 -0.37 -0.19 0.00 -0.81 0.00 0.00 59.98 58.55 2wus h ARG 16 Cb 1.72 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 2wus h ARG 16 CO 0.11 0.99 -0.86 0.93 -1.51 0.00 0.00 179.97 179.62 2wus h GLU 17 N 0.48 0.19 0.00 0.20 5.08 -1.29 -2.89 114.58 116.35 2wus h GLU 17 Ca 0.02 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2wus h GLU 17 Cb 1.07 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wus h GLU 17 CO 0.10 0.94 0.00 -1.91 -1.00 0.00 0.00 179.01 177.14 2wus n GLU 18 N -3.67 0.07 -3.32 2.33 2.13 -0.43 -4.62 120.64 113.12 2wus n GLU 18 Ca -0.03 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.66 2wus n GLU 18 Cb 0.80 -1.02 -0.04 0.00 0.27 0.00 0.00 31.44 31.44 2wus n GLU 18 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wus n ARG 19 N -0.52 0.36 -0.58 5.31 1.74 -1.09 -5.03 116.66 116.85 2wus n ARG 19 Ca 0.00 -1.96 -0.08 0.00 -0.77 0.00 0.00 57.85 55.04 2wus n ARG 19 Cb 0.00 1.46 0.03 0.00 -1.02 0.00 0.00 32.46 32.94 2wus n ARG 19 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wus n ARG 20 N -0.41 1.41 -4.19 5.56 3.00 -1.26 -4.94 116.66 115.83 2wus n ARG 20 Ca 0.02 -0.87 -0.34 0.00 -0.00 0.00 0.00 57.85 56.67 2wus n ARG 20 Cb 0.35 -1.34 -0.14 0.00 0.00 0.00 0.00 32.46 31.33 2wus n ARG 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2wus s ILE 21 N -1.15 3.09 0.08 5.15 1.01 -1.23 -5.09 121.20 123.05 2wus s ILE 21 Ca 0.17 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 2wus s ILE 21 Cb 0.14 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 2wus s ILE 21 CO 0.01 0.47 0.47 -0.89 0.00 0.00 0.00 174.94 175.00 2wus s THR 22 N 1.12 4.96 0.19 2.92 2.01 -1.26 -4.61 115.64 120.96 2wus s THR 22 Ca 0.01 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 62.61 2wus s THR 22 Cb -0.14 -3.72 0.15 0.00 0.01 0.00 0.00 72.50 68.80 2wus s THR 22 CO -0.02 0.39 1.63 -0.07 -0.69 0.00 0.00 174.62 175.86 2wus h LEU 23 N 4.05 -0.63 -0.86 4.42 3.38 -1.98 0.19 115.31 123.88 2wus h LEU 23 Ca -0.50 0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2wus h LEU 23 Cb 1.20 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2wus h LEU 23 CO 0.64 -0.21 -0.00 0.25 0.09 0.00 0.00 178.44 179.21 2wus h LEU 24 N -0.06 0.82 -0.23 1.67 7.12 -1.95 0.11 115.31 122.79 2wus h LEU 24 Ca 0.24 -0.21 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 2wus h LEU 24 Cb 0.43 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 2wus h LEU 24 CO -0.55 0.88 -0.01 0.44 -0.13 0.00 0.00 178.44 179.08 2wus h ASP 25 N 0.79 0.40 -0.88 1.25 3.32 -1.81 -2.71 116.42 116.77 2wus h ASP 25 Ca 0.15 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.98 2wus h ASP 25 Cb 0.48 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 2wus h ASP 25 CO 0.02 0.62 0.57 0.00 -1.72 0.00 0.00 179.24 178.73 2wus h ALA 26 N 0.79 1.64 -0.91 3.45 0.00 -0.39 -0.18 119.26 123.66 2wus h ALA 26 Ca 0.06 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.23 2wus h ALA 26 Cb 0.42 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 2wus h ALA 26 CO 0.01 0.19 0.24 1.03 0.00 0.00 0.00 179.25 180.72 2wus h SER 27 N 0.88 -0.03 1.76 0.00 0.87 -0.46 -1.51 113.55 115.05 2wus h SER 27 Ca 0.41 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2wus h SER 27 Cb 0.39 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2wus h SER 27 CO -0.17 -0.21 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.67 2wus h LEU 28 N 0.16 0.00 0.00 2.23 3.38 -0.92 -3.20 115.31 116.97 2wus h LEU 28 Ca 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2wus h LEU 28 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2wus h LEU 28 CO -0.71 0.00 -0.23 -0.26 0.09 0.00 0.00 178.44 177.33 2wus h PHE 29 N 0.00 0.00 -3.44 1.13 0.04 -1.12 -3.42 116.94 110.13 2wus h PHE 29 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 2wus h PHE 29 Cb 0.97 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.01 2wus h PHE 29 CO 0.00 0.00 0.18 0.95 -0.60 0.00 0.00 178.31 178.84 2wus s THR 30 N -1.76 4.98 0.00 -1.55 -4.23 -0.75 -4.92 115.64 107.41 2wus s THR 30 Ca -0.07 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2wus s THR 30 Cb 0.01 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2wus s THR 30 CO 0.10 0.04 0.35 0.59 -0.54 0.00 0.00 174.62 175.16 2wus n ASN 31 N 5.52 0.97 -4.51 3.99 4.13 -1.23 -4.26 115.26 119.88 2wus n ASN 31 Ca -0.00 -0.91 -0.43 0.00 1.68 0.00 0.00 54.58 54.92 2wus n ASN 31 Cb 0.49 -0.19 -0.07 0.00 -1.54 0.00 0.00 39.78 38.47 2wus n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wus s ILE 32 N 1.17 4.88 0.15 2.41 1.01 -1.21 -5.01 121.20 124.60 2wus s ILE 32 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 2wus s ILE 32 Cb 0.00 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 38.15 2wus s ILE 32 CO 0.00 -0.57 0.49 -3.20 0.00 0.00 0.00 174.94 171.66 2wus n ASN 33 N 6.12 -0.93 0.18 3.58 2.85 -1.26 -4.25 115.26 121.54 2wus n ASN 33 Ca -0.03 0.95 0.03 0.00 -0.11 0.00 0.00 54.58 55.43 2wus n ASN 33 Cb 0.48 -0.80 0.33 0.00 1.24 0.00 0.00 39.78 41.03 2wus n ASN 33 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wus h PRO 34 N 1.03 0.00 -0.75 1.20 0.11 -1.93 -1.84 132.00 129.81 2wus h PRO 34 Ca -0.26 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.93 2wus h PRO 34 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2wus h PRO 34 CO 0.49 0.42 0.42 1.03 -0.21 0.00 0.00 178.00 180.15 2wus h SER 35 N 0.00 0.61 -0.23 -2.05 0.87 -1.96 0.49 113.55 111.28 2wus h SER 35 Ca -0.00 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 2wus h SER 35 Cb 0.81 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2wus h SER 35 CO 0.05 0.37 -0.23 0.11 -0.53 0.00 0.00 176.83 176.61 2wus h LYS 36 N 0.74 0.57 -0.80 2.24 1.57 -1.72 -0.47 116.57 118.70 2wus h LYS 36 Ca 0.35 -0.30 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 2wus h LYS 36 Cb 0.28 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 2wus h LYS 36 CO -0.22 0.89 0.38 -0.07 -0.57 0.00 0.00 179.45 179.85 2wus h LEU 37 N 0.27 0.42 0.18 2.94 4.07 -0.80 -0.50 115.31 121.89 2wus h LEU 37 Ca 0.04 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2wus h LEU 37 Cb 0.78 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2wus h LEU 37 CO 0.06 0.18 -0.09 0.50 -1.08 0.00 0.00 178.44 178.01 2wus h LYS 38 N 0.55 -0.23 0.00 1.13 1.63 0.37 -0.88 116.57 119.14 2wus h LYS 38 Ca 0.43 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.22 2wus h LYS 38 Cb 0.62 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2wus h LYS 38 CO -0.37 -0.03 -0.13 0.00 -3.45 0.00 0.00 179.45 175.47 2wus h ARG 39 N -0.41 0.00 -0.19 1.90 3.08 -0.86 -1.20 114.38 116.70 2wus h ARG 39 Ca -0.02 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 2wus h ARG 39 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.37 2wus h ARG 39 CO 0.04 0.13 -0.70 0.82 -1.07 0.00 0.00 179.97 179.19 2wus h ILE 40 N 0.00 1.28 0.00 2.04 2.04 -0.88 0.51 117.51 122.50 2wus h ILE 40 Ca -0.00 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 63.89 2wus h ILE 40 Cb 0.23 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2wus h ILE 40 CO 0.02 0.61 -0.32 -0.33 0.00 0.00 0.00 178.15 178.12 2wus h GLU 41 N 0.56 0.00 -0.92 2.37 5.08 -0.69 -1.63 114.58 119.35 2wus h GLU 41 Ca -0.03 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.88 2wus h GLU 41 Cb 1.32 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.30 2wus h GLU 41 CO 0.15 0.32 0.55 -0.85 -1.00 0.00 0.00 179.01 178.18 2wus n GLU 42 N -3.47 2.50 -4.21 2.33 0.28 -0.50 -3.05 120.64 114.53 2wus n GLU 42 Ca 0.00 -3.04 -0.31 0.00 -0.16 0.00 0.00 57.16 53.65 2wus n GLU 42 Cb 0.49 -2.17 -0.08 0.00 1.43 0.00 0.00 31.44 31.11 2wus n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wus n GLY 43 N -0.97 -0.19 2.91 -1.84 0.00 -0.61 -4.91 105.19 99.58 2wus n GLY 43 Ca 0.55 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 2wus n GLY 43 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wus n ASP 44 N -2.64 3.16 -0.01 1.61 4.64 0.17 -4.62 116.55 118.86 2wus n ASP 44 Ca -0.29 -3.22 -0.12 0.00 -1.38 0.00 0.00 54.79 49.78 2wus n ASP 44 Cb 0.65 -0.78 -0.14 0.00 -1.04 0.00 0.00 41.12 39.81 2wus n ASP 44 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2wus n LEU 45 N 1.95 1.36 -4.66 -2.67 4.77 -1.26 -4.62 117.00 111.87 2wus n LEU 45 Ca 0.20 0.37 -0.65 0.00 -0.03 0.00 0.00 56.01 55.90 2wus n LEU 45 Cb 0.35 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 2wus n LEU 45 CO 0.28 0.51 1.01 1.17 -1.33 0.00 0.00 177.39 179.03 2wus n LYS 46 N -3.17 0.00 -1.44 3.23 4.81 -1.26 0.76 118.16 121.09 2wus n LYS 46 Ca -0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.08 2wus n LYS 46 Cb 1.05 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 34.54 2wus n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wus n GLY 47 N 3.39 1.46 0.00 3.14 0.00 -1.26 -4.91 105.19 107.01 2wus n GLY 47 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wus n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wus n LEU 48 N -1.73 0.00 0.00 0.99 0.00 0.23 -4.95 117.00 111.54 2wus n LEU 48 Ca -0.15 0.48 -0.23 0.00 0.00 0.00 0.00 56.01 56.12 2wus n LEU 48 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.97 2wus n LEU 48 CO 0.23 0.00 -0.14 -0.67 0.00 0.00 0.00 177.39 176.82 2wus n ASP 49 N -0.54 0.59 -4.75 1.96 4.64 -1.26 -5.12 116.55 112.07 2wus n ASP 49 Ca 0.00 -3.11 -0.41 0.00 -1.38 0.00 0.00 54.79 49.89 2wus n ASP 49 Cb 0.00 1.20 -0.01 0.00 -1.04 0.00 0.00 41.12 41.27 2wus n ASP 49 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wus s ALA 50 N -3.15 3.74 0.24 -1.67 0.00 -1.26 -4.62 121.76 115.04 2wus s ALA 50 Ca 0.26 1.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 2wus s ALA 50 Cb 0.01 -3.65 0.29 0.00 0.00 0.00 0.00 23.12 19.77 2wus s ALA 50 CO 0.18 -1.01 1.57 1.49 0.00 0.00 0.00 175.76 178.00 2wus h GLU 51 N 4.71 -0.03 -0.96 0.00 4.81 -2.00 0.35 114.58 121.46 2wus h GLU 51 Ca -0.47 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.93 2wus h GLU 51 Cb 1.22 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 2wus h GLU 51 CO 0.78 -0.02 0.61 0.28 -0.73 0.00 0.00 179.01 179.93 2wus h VAL 52 N -0.03 0.76 -0.04 0.32 2.07 -2.01 -1.49 116.25 115.84 2wus h VAL 52 Ca 0.37 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2wus h VAL 52 Cb 0.62 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2wus h VAL 52 CO -0.91 0.13 -0.14 1.88 0.02 0.00 0.00 177.57 178.56 2wus h TYR 53 N 0.71 0.21 -0.93 1.57 0.05 -0.68 -2.92 116.97 114.99 2wus h TYR 53 Ca 0.52 -0.09 0.27 0.00 0.05 0.00 0.00 58.73 59.48 2wus h TYR 53 Cb 0.86 -0.04 -0.16 0.00 1.01 0.00 0.00 36.73 38.40 2wus h TYR 53 CO -0.00 0.76 0.19 0.82 -1.05 0.00 0.00 178.16 178.87 2wus h ILE 54 N -0.39 0.17 0.57 -2.88 2.04 -0.57 0.37 117.51 116.81 2wus h ILE 54 Ca -0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2wus h ILE 54 Cb 0.77 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2wus h ILE 54 CO 0.03 0.02 -0.28 0.11 0.00 0.00 0.00 178.15 178.03 2wus h LYS 55 N 0.11 -0.74 -1.01 2.37 1.57 -1.40 0.84 116.57 118.31 2wus h LYS 55 Ca 0.60 0.05 0.24 0.00 -1.87 0.00 0.00 60.65 59.66 2wus h LYS 55 Cb 1.27 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 33.62 2wus h LYS 55 CO -0.76 -0.49 0.60 1.03 -0.57 0.00 0.00 179.45 179.25 2wus h SER 56 N -0.77 0.69 0.70 0.86 0.87 -0.28 0.33 113.55 115.96 2wus h SER 56 Ca -0.08 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2wus h SER 56 Cb 0.59 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2wus h SER 56 CO 0.12 0.14 -0.34 1.88 -0.53 0.00 0.00 176.83 178.11 2wus h TYR 57 N 0.61 -0.87 -0.80 2.24 0.99 -0.05 0.96 116.97 120.05 2wus h TYR 57 Ca 0.63 -0.02 0.23 0.00 2.00 0.00 0.00 58.73 61.57 2wus h TYR 57 Cb 1.17 0.29 -0.03 0.00 1.00 0.00 0.00 36.73 39.16 2wus h TYR 57 CO -0.01 -0.51 0.70 0.82 -0.00 0.00 0.00 178.16 179.16 2wus h ILE 58 N -1.13 0.37 0.10 -2.88 2.04 0.95 -0.06 117.51 116.90 2wus h ILE 58 Ca -0.10 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.41 2wus h ILE 58 Cb 0.75 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2wus h ILE 58 CO 0.16 0.00 -1.97 1.17 0.00 0.00 0.00 178.15 177.51 2wus n LYS 59 N -3.89 0.73 0.08 2.37 0.00 0.99 -2.70 118.16 115.74 2wus n LYS 59 Ca 0.17 0.26 -0.09 0.00 0.00 0.00 0.00 58.31 58.65 2wus n LYS 59 Cb 0.98 -1.72 0.01 0.00 0.00 0.00 0.00 35.03 34.30 2wus n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wus h ARG 60 N 0.06 0.27 -0.26 1.64 3.08 0.14 -0.86 114.38 118.45 2wus h ARG 60 Ca -0.40 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.30 2wus h ARG 60 Cb 2.03 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 32.14 2wus h ARG 60 CO 0.08 0.95 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.88 2wus h TYR 61 N 0.17 0.65 -0.63 3.04 3.20 -1.21 -0.41 116.97 121.78 2wus h TYR 61 Ca -0.04 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.68 2wus h TYR 61 Cb 1.43 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 2wus h TYR 61 CO 0.04 0.82 0.40 0.77 -1.64 0.00 0.00 178.16 178.55 2wus h SER 62 N 0.29 0.68 -0.29 -2.11 0.02 -1.33 -2.53 113.55 108.28 2wus h SER 62 Ca 0.06 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2wus h SER 62 Cb 0.65 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2wus h SER 62 CO 0.04 0.49 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.83 2wus h GLU 63 N 0.81 0.56 -0.11 3.45 5.08 -1.07 0.21 114.58 123.51 2wus h GLU 63 Ca 0.24 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2wus h GLU 63 Cb -0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2wus h GLU 63 CO -0.07 0.75 -0.21 0.35 -1.00 0.00 0.00 179.01 178.82 2wus h PHE 64 N 0.32 -0.64 -2.00 4.33 3.57 -0.79 -3.11 116.94 118.62 2wus h PHE 64 Ca 0.08 0.03 -0.73 0.00 3.53 0.00 0.00 57.97 60.87 2wus h PHE 64 Cb 0.54 0.30 -0.17 0.00 2.79 0.00 0.00 35.95 39.41 2wus h PHE 64 CO 0.05 -0.20 1.48 1.47 -2.23 0.00 0.00 178.31 178.88 2wus n LEU 65 N -3.70 5.25 0.00 0.59 -0.00 -0.98 -4.89 117.00 113.26 2wus n LEU 65 Ca -0.02 -4.41 0.00 0.00 -0.00 0.00 0.00 56.01 51.58 2wus n LEU 65 Cb 0.14 -1.63 0.00 0.00 -0.00 0.00 0.00 43.42 41.93 2wus n LEU 65 CO 0.02 0.69 0.00 -0.62 -0.00 0.00 0.00 177.39 177.48 2wus n GLU 66 N 5.86 0.00 -4.41 1.47 1.02 -1.17 -4.85 120.64 118.55 2wus n GLU 66 Ca 0.38 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.31 2wus n GLU 66 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.75 2wus n GLU 66 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wus s LEU 67 N 0.00 2.56 -0.32 -4.62 1.43 0.06 -5.04 118.68 112.75 2wus s LEU 67 Ca 0.00 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.74 2wus s LEU 67 Cb 0.00 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2wus s LEU 67 CO 0.00 -0.17 1.68 -0.55 0.23 0.00 0.00 176.35 177.54 2wus s SER 68 N -3.41 6.10 0.37 2.29 0.15 -1.26 -4.43 113.70 113.50 2wus s SER 68 Ca 0.27 1.28 0.07 0.00 0.70 0.00 0.00 55.95 58.27 2wus s SER 68 Cb -0.00 -2.53 0.73 0.00 -1.71 0.00 0.00 66.02 62.51 2wus s SER 68 CO 0.11 -1.55 1.93 -0.65 1.20 0.00 0.00 173.24 174.27 2wus h PRO 69 N 11.93 0.39 0.62 5.44 0.11 -1.91 -2.66 132.00 145.92 2wus h PRO 69 Ca -0.32 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 2wus h PRO 69 Cb 1.15 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.21 2wus h PRO 69 CO 1.03 0.44 -0.30 -0.44 -0.21 0.00 0.00 178.00 178.52 2wus h ASP 70 N 0.38 -0.70 -0.65 -2.05 3.32 -1.98 -1.69 116.42 113.05 2wus h ASP 70 Ca 0.09 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.30 2wus h ASP 70 Cb 0.28 0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 2wus h ASP 70 CO 0.01 -0.48 0.02 1.05 -1.72 0.00 0.00 179.24 178.12 2wus h GLU 71 N -0.88 0.13 0.33 3.56 4.11 -1.95 0.13 114.58 120.02 2wus h GLU 71 Ca -0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2wus h GLU 71 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2wus h GLU 71 CO 0.14 0.09 -0.48 0.52 0.07 0.00 0.00 179.01 179.35 2wus h MET 72 N 0.14 -0.82 -0.84 1.06 2.86 -1.50 -1.43 114.93 114.39 2wus h MET 72 Ca 0.34 0.06 0.19 0.00 -2.06 0.00 0.00 59.70 58.23 2wus h MET 72 Cb 0.56 0.19 -0.16 0.00 0.06 0.00 0.00 31.60 32.25 2wus h MET 72 CO -0.54 -0.55 -0.11 -0.07 1.06 0.00 0.00 176.91 176.71 2wus h LEU 73 N -0.85 -0.60 -0.92 1.22 3.38 -0.21 -0.19 115.31 117.14 2wus h LEU 73 Ca -0.04 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.32 2wus h LEU 73 Cb 0.77 0.47 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2wus h LEU 73 CO -0.14 -0.26 0.52 0.50 0.09 0.00 0.00 178.44 179.15 2wus h LYS 74 N 0.03 0.73 -0.84 1.13 3.64 0.27 1.05 116.57 122.58 2wus h LYS 74 Ca 0.44 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2wus h LYS 74 Cb 0.76 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2wus h LYS 74 CO -0.82 0.49 0.48 -0.07 -2.27 0.00 0.00 179.45 177.25 2wus h LEU 75 N 0.76 1.03 -0.02 5.20 3.38 -0.50 -1.27 115.31 123.88 2wus h LEU 75 Ca 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2wus h LEU 75 Cb 0.65 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wus h LEU 75 CO -0.33 0.82 0.00 0.22 0.09 0.00 0.00 178.44 179.24 2wus h TYR 76 N 1.16 0.04 -0.01 1.13 3.20 0.34 -3.01 116.97 119.82 2wus h TYR 76 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2wus h TYR 76 Cb 0.00 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 2wus h TYR 76 CO 0.00 0.33 0.02 1.49 -1.64 0.00 0.00 178.16 178.36 2wus h GLU 77 N -0.26 0.00 -1.40 1.82 4.57 0.10 1.97 114.58 121.38 2wus h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2wus h GLU 77 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2wus h GLU 77 CO 0.00 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.22 2wus n GLU 78 N -3.42 1.00 -0.01 1.92 1.02 -0.49 -2.55 120.64 118.10 2wus n GLU 78 Ca -0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.25 2wus n GLU 78 Cb 0.10 -1.00 0.69 0.00 -0.02 0.00 0.00 31.44 31.20 2wus n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wus n GLY 79 N 0.90 -0.55 0.00 0.62 0.00 0.67 -3.67 105.19 103.15 2wus n GLY 79 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wus n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wus n LYS 80 N -0.45 0.00 -0.31 1.61 2.85 -1.06 -0.85 118.16 119.95 2wus n LYS 80 Ca 0.20 0.08 0.04 0.00 -1.05 0.00 0.00 58.31 57.57 2wus n LYS 80 Cb 0.20 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.25 2wus n LYS 80 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2wus n GLU 81 N -1.08 2.37 -0.13 -1.58 0.28 -1.24 -3.68 120.64 115.57 2wus n GLU 81 Ca 0.00 -1.32 -0.20 0.00 -0.16 0.00 0.00 57.16 55.49 2wus n GLU 81 Cb 0.00 -1.62 -0.12 0.00 1.43 0.00 0.00 31.44 31.13 2wus n GLU 81 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2wus n GLU 82 N 0.35 0.64 -0.33 3.44 2.13 -0.03 -4.53 120.64 122.31 2wus n GLU 82 Ca 0.12 0.17 0.25 0.00 0.66 0.00 0.00 57.16 58.35 2wus n GLU 82 Cb 0.52 -1.52 0.49 0.00 0.27 0.00 0.00 31.44 31.20 2wus n GLU 82 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2wus h VAL 83 N -0.13 0.25 -0.00 6.31 3.04 -1.76 -3.54 116.25 120.41 2wus h VAL 83 Ca -0.60 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2wus h VAL 83 Cb 1.86 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2wus h VAL 83 CO -0.13 0.05 0.00 0.00 -1.01 0.00 0.00 177.57 176.48