#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlv s SER 2 N 0.00 5.89 -0.23 1.61 0.15 -1.26 -5.07 113.70 114.79 2dlv s SER 2 Ca 0.00 0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.68 2dlv s SER 2 Cb 0.00 -2.07 0.06 0.00 -1.71 0.00 0.00 66.02 62.30 2dlv s SER 2 CO 0.00 0.02 -0.07 -0.44 1.20 0.00 0.00 173.24 173.95 2dlv s SER 3 N 1.31 3.89 0.00 5.45 0.01 -1.26 -4.97 113.70 118.13 2dlv s SER 3 Ca 0.07 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dlv s SER 3 Cb -0.14 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2dlv s SER 3 CO 0.06 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2dlv n GLY 4 N 4.63 -0.10 0.11 3.44 0.00 -1.26 -4.93 105.19 107.07 2dlv n GLY 4 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2dlv n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dlv h SER 5 N 0.00 0.23 -4.29 1.61 4.64 -1.95 -3.47 113.55 110.32 2dlv h SER 5 Ca 0.00 -0.11 -0.26 0.00 -0.47 0.00 0.00 61.79 60.95 2dlv h SER 5 Cb 0.00 -0.06 0.10 0.00 -0.31 0.00 0.00 62.40 62.13 2dlv h SER 5 CO 0.00 0.27 -0.47 -0.24 -0.87 0.00 0.00 176.83 175.53 2dlv n SER 6 N -4.89 -4.32 0.00 4.97 2.88 -1.26 -4.72 113.62 106.28 2dlv n SER 6 Ca -0.04 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2dlv n SER 6 Cb 0.09 -3.55 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 2dlv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlv n GLY 7 N -1.42 0.96 3.02 0.46 0.00 -1.26 -4.63 105.19 102.31 2dlv n GLY 7 Ca -0.04 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2dlv n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlv s SER 8 N -4.00 2.36 0.51 1.61 0.15 -1.26 -5.01 113.70 108.06 2dlv s SER 8 Ca 0.00 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 56.54 2dlv s SER 8 Cb 0.00 -1.03 1.23 0.00 -1.71 0.00 0.00 66.02 64.51 2dlv s SER 8 CO 0.00 -0.02 1.94 1.55 1.20 0.00 0.00 173.24 177.91 2dlv h PRO 9 N 7.64 0.00 0.04 5.44 0.13 -1.96 -1.60 132.00 141.69 2dlv h PRO 9 Ca -0.32 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.53 2dlv h PRO 9 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 2dlv h PRO 9 CO 0.48 0.11 -1.10 1.49 -0.23 0.00 0.00 178.00 178.75 2dlv h GLU 10 N 0.00 0.64 0.08 0.86 4.57 -2.00 -2.88 114.58 115.85 2dlv h GLU 10 Ca -0.00 -0.74 -0.25 0.00 -1.18 0.00 0.00 59.36 57.19 2dlv h GLU 10 Cb 0.57 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2dlv h GLU 10 CO 0.01 1.32 -1.12 0.93 -1.18 0.00 0.00 179.01 178.97 2dlv h GLU 11 N 0.33 0.28 0.24 1.92 4.39 -1.96 -3.22 114.58 116.56 2dlv h GLU 11 Ca -0.14 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 2dlv h GLU 11 Cb 1.76 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 2dlv h GLU 11 CO 0.21 1.15 -0.12 0.00 -1.16 0.00 0.00 179.01 179.10 2dlv h ALA 12 N 0.68 -0.32 -0.68 3.43 0.00 -1.37 0.35 119.26 121.34 2dlv h ALA 12 Ca -0.10 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2dlv h ALA 12 Cb 1.82 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 2dlv h ALA 12 CO 0.18 -0.63 0.46 -0.24 0.00 0.00 0.00 179.25 179.03 2dlv h VAL 13 N -0.44 0.83 0.25 0.00 3.04 -1.62 -1.56 116.25 116.75 2dlv h VAL 13 Ca -0.03 -0.13 -0.34 0.00 -1.01 0.00 0.00 66.70 65.19 2dlv h VAL 13 Cb 0.33 0.41 0.04 0.00 -2.01 0.00 0.00 31.29 30.06 2dlv h VAL 13 CO 0.05 0.07 -1.49 0.11 -1.01 0.00 0.00 177.57 175.31 2dlv h LYS 14 N 0.38 0.54 -0.91 4.17 1.57 -1.49 -3.35 116.57 117.48 2dlv h LYS 14 Ca 0.33 -0.92 0.14 0.00 -1.87 0.00 0.00 60.65 58.32 2dlv h LYS 14 Cb 0.75 0.34 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 2dlv h LYS 14 CO -0.09 1.44 -0.37 0.91 -0.57 0.00 0.00 179.45 180.76 2dlv n TRP 15 N -3.71 -0.02 -0.32 -1.35 8.01 0.12 0.94 117.44 121.11 2dlv n TRP 15 Ca -0.17 1.13 0.31 0.00 -1.31 0.00 0.00 57.50 57.46 2dlv n TRP 15 Cb 1.11 -0.81 0.58 0.00 -2.01 0.00 0.00 31.31 30.17 2dlv n TRP 15 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2dlv h GLY 16 N 0.00 2.25 -0.72 6.99 0.00 -1.68 -0.80 103.07 109.11 2dlv h GLY 16 Ca 0.30 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.57 2dlv h GLY 16 CO -0.90 -0.79 -0.34 1.18 0.00 0.00 0.00 176.54 175.68 2dlv n GLU 17 N -5.25 -0.23 -3.74 4.80 1.02 0.27 -4.66 120.64 112.83 2dlv n GLU 17 Ca 0.37 1.10 -0.10 0.00 -0.02 0.00 0.00 57.16 58.52 2dlv n GLU 17 Cb 1.27 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 2dlv n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dlv s SER 18 N -5.30 -0.19 0.24 1.62 0.15 -0.31 -5.05 113.70 104.86 2dlv s SER 18 Ca -0.09 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.00 2dlv s SER 18 Cb 0.12 0.51 0.23 0.00 -1.71 0.00 0.00 66.02 65.17 2dlv s SER 18 CO 0.49 -0.95 1.84 0.15 1.20 0.00 0.00 173.24 175.97 2dlv h PHE 19 N 2.33 1.19 -0.26 3.44 3.57 -1.83 -2.88 116.94 122.50 2dlv h PHE 19 Ca -0.31 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.19 2dlv h PHE 19 Cb 1.25 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2dlv h PHE 19 CO 0.35 0.85 -0.04 0.22 -2.23 0.00 0.00 178.31 177.46 2dlv h ASP 20 N 1.18 -0.20 -0.69 0.41 3.58 -1.97 -2.33 116.42 116.42 2dlv h ASP 20 Ca 0.29 0.07 0.14 0.00 0.42 0.00 0.00 57.03 57.95 2dlv h ASP 20 Cb 0.10 0.14 -0.13 0.00 1.72 0.00 0.00 39.33 41.16 2dlv h ASP 20 CO -0.04 -0.07 -0.16 0.11 -2.88 0.00 0.00 179.24 176.20 2dlv h LYS 21 N 0.02 0.00 0.40 0.28 1.79 -1.77 0.19 116.57 117.49 2dlv h LYS 21 Ca 0.12 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2dlv h LYS 21 Cb 0.18 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2dlv h LYS 21 CO -0.25 0.00 -0.45 1.25 -1.08 0.00 0.00 179.45 178.93 2dlv h LEU 22 N 0.00 -1.25 -0.37 2.94 5.85 -1.44 -2.87 115.31 118.17 2dlv h LEU 22 Ca 0.33 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.23 2dlv h LEU 22 Cb 0.51 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 2dlv h LEU 22 CO -0.70 -0.58 -0.16 -0.07 -0.34 0.00 0.00 178.44 176.59 2dlv h LEU 23 N -0.86 -0.56 -0.71 2.25 3.38 -1.09 -1.52 115.31 116.20 2dlv h LEU 23 Ca -0.05 0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.28 2dlv h LEU 23 Cb 0.76 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 2dlv h LEU 23 CO -0.08 -0.20 0.11 -0.24 0.09 0.00 0.00 178.44 178.12 2dlv n SER 24 N -5.35 0.00 -4.85 -0.43 2.88 0.59 -4.18 113.62 102.29 2dlv n SER 24 Ca 0.02 1.21 -0.34 0.00 -1.33 0.00 0.00 58.87 58.42 2dlv n SER 24 Cb 0.26 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 2dlv n SER 24 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2dlv s HIS 25 N -5.48 3.54 0.02 0.66 5.65 -0.57 -5.02 115.29 114.08 2dlv s HIS 25 Ca -0.09 1.09 -0.24 0.00 0.25 0.00 0.00 55.06 56.07 2dlv s HIS 25 Cb 0.22 -2.40 -0.13 0.00 -1.18 0.00 0.00 32.58 29.08 2dlv s HIS 25 CO 0.56 0.33 1.17 -0.09 -0.65 0.00 0.00 174.74 176.05 2dlv h ARG 26 N 3.12 -0.83 -0.62 2.88 9.65 -1.82 -2.64 114.38 124.12 2dlv h ARG 26 Ca -0.48 0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.52 2dlv h ARG 26 Cb 1.18 0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 29.86 2dlv h ARG 26 CO 0.66 -0.56 -0.56 0.22 2.80 0.00 0.00 179.97 182.54 2dlv h ASP 27 N -1.02 -1.95 -0.90 -3.80 3.58 -1.92 0.29 116.42 110.70 2dlv h ASP 27 Ca -0.09 0.27 0.24 0.00 0.42 0.00 0.00 57.03 57.87 2dlv h ASP 27 Cb 0.66 0.83 -0.13 0.00 1.72 0.00 0.00 39.33 42.40 2dlv h ASP 27 CO 0.15 -0.34 0.36 1.23 -2.88 0.00 0.00 179.24 177.75 2dlv h GLY 28 N -0.26 1.54 0.91 -0.78 0.00 -1.75 0.16 103.07 102.89 2dlv h GLY 28 Ca 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2dlv h GLY 28 CO -0.72 -0.33 -0.21 -2.00 0.00 0.00 0.00 176.54 173.28 2dlv h LEU 29 N 0.33 0.64 0.59 3.11 5.85 -0.38 -2.24 115.31 123.21 2dlv h LEU 29 Ca 0.58 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2dlv h LEU 29 Cb 1.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2dlv h LEU 29 CO -0.58 0.96 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.85 2dlv h GLU 30 N 0.33 -0.79 -0.48 1.25 5.08 0.17 -1.18 114.58 118.97 2dlv h GLU 30 Ca 0.05 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2dlv h GLU 30 Cb 0.76 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 2dlv h GLU 30 CO 0.06 -0.53 0.09 0.00 -1.00 0.00 0.00 179.01 177.63 2dlv h ALA 31 N -0.41 0.53 0.52 3.43 0.00 -0.87 -2.74 119.26 119.73 2dlv h ALA 31 Ca -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dlv h ALA 31 Cb 0.64 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2dlv h ALA 31 CO 0.12 -0.31 -0.49 0.35 0.00 0.00 0.00 179.25 178.92 2dlv h PHE 32 N 0.23 -1.34 -0.97 0.00 3.57 -1.25 -2.55 116.94 114.61 2dlv h PHE 32 Ca 0.24 0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.00 2dlv h PHE 32 Cb 0.31 0.52 -0.18 0.00 2.79 0.00 0.00 35.95 39.39 2dlv h PHE 32 CO -0.22 -0.66 -0.01 2.41 -2.23 0.00 0.00 178.31 177.60 2dlv n THR 33 N -5.41 -0.41 -0.09 4.41 -1.04 -0.46 0.52 114.28 111.81 2dlv n THR 33 Ca -0.12 2.15 -0.06 0.00 -2.04 0.00 0.00 64.05 63.98 2dlv n THR 33 Cb 0.45 -3.13 -0.00 0.00 -1.82 0.00 0.00 70.33 65.83 2dlv n THR 33 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2dlv h ARG 34 N 0.00 -0.04 -0.96 -2.82 3.08 -1.17 -0.65 114.38 111.82 2dlv h ARG 34 Ca 0.58 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.87 2dlv h ARG 34 Cb 1.16 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 2dlv h ARG 34 CO -0.93 -0.03 0.52 0.35 -1.07 0.00 0.00 179.97 178.82 2dlv h PHE 35 N -0.04 0.88 0.28 3.04 3.57 0.23 -1.80 116.94 123.10 2dlv h PHE 35 Ca 0.16 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2dlv h PHE 35 Cb 0.28 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2dlv h PHE 35 CO -0.32 0.02 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.57 2dlv h LEU 36 N 0.51 -0.32 -0.92 0.59 3.38 -1.00 -3.24 115.31 114.32 2dlv h LEU 36 Ca 0.62 -0.20 0.22 0.00 0.09 0.00 0.00 57.88 58.60 2dlv h LEU 36 Cb 1.18 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2dlv h LEU 36 CO -0.50 0.16 -0.11 0.29 0.09 0.00 0.00 178.44 178.37 2dlv n LYS 37 N -5.04 -0.08 -0.34 1.13 5.02 -0.38 0.20 118.16 118.66 2dlv n LYS 37 Ca -0.08 1.40 0.05 0.00 -2.02 0.00 0.00 58.31 57.66 2dlv n LYS 37 Cb 0.26 -2.16 0.23 0.00 -0.02 0.00 0.00 35.03 33.34 2dlv n LYS 37 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2dlv h THR 38 N 0.00 1.01 -0.46 -0.18 1.35 -1.46 0.10 112.91 113.28 2dlv h THR 38 Ca 0.50 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2dlv h THR 38 Cb 0.90 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 2dlv h THR 38 CO -0.90 0.19 0.00 -0.62 -0.25 0.00 0.00 175.52 173.93 2dlv n GLU 39 N -4.54 2.80 -2.73 4.72 -0.58 0.52 -4.90 120.64 115.94 2dlv n GLU 39 Ca 0.16 -1.96 -0.18 0.00 -0.42 0.00 0.00 57.16 54.77 2dlv n GLU 39 Cb 0.26 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2dlv n GLU 39 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2dlv n PHE 40 N 0.75 -1.52 -0.84 -0.32 3.72 0.35 -4.82 117.46 114.78 2dlv n PHE 40 Ca 0.18 0.19 0.08 0.00 -0.05 0.00 0.00 57.45 57.85 2dlv n PHE 40 Cb 0.62 -3.31 0.14 0.00 -0.94 0.00 0.00 39.48 35.99 2dlv n PHE 40 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dlv n SER 41 N -2.07 2.58 0.02 4.37 7.64 -0.69 -4.66 113.62 120.81 2dlv n SER 41 Ca -0.13 -2.84 -0.07 0.00 1.01 0.00 0.00 58.87 56.83 2dlv n SER 41 Cb 0.61 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 63.54 2dlv n SER 41 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2dlv h GLU 42 N 0.40 0.48 -0.86 1.43 4.11 -1.86 -3.07 114.58 115.22 2dlv h GLU 42 Ca 0.00 -0.28 0.25 0.00 0.07 0.00 0.00 59.36 59.40 2dlv h GLU 42 Cb 0.98 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2dlv h GLU 42 CO 0.04 0.87 1.14 1.05 0.07 0.00 0.00 179.01 182.18 2dlv h GLU 43 N 0.38 0.00 0.41 1.06 9.09 -1.90 0.41 114.58 124.04 2dlv h GLU 43 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.41 2dlv h GLU 43 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2dlv h GLU 43 CO 0.09 0.00 -0.20 -0.91 0.05 0.00 0.00 179.01 178.04 2dlv h ASN 44 N 0.00 -0.47 0.39 3.06 2.35 -1.86 -3.19 115.58 115.86 2dlv h ASN 44 Ca 0.41 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.93 2dlv h ASN 44 Cb 2.69 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 41.17 2dlv h ASN 44 CO -0.00 -0.05 -0.51 -0.29 -1.65 0.00 0.00 177.43 174.92 2dlv h ILE 45 N -0.99 1.36 -0.87 2.81 6.09 -0.50 -3.09 117.51 122.32 2dlv h ILE 45 Ca -0.06 -1.76 0.19 0.00 -1.37 0.00 0.00 64.86 61.86 2dlv h ILE 45 Cb 0.55 1.89 -0.11 0.00 0.47 0.00 0.00 36.82 39.61 2dlv h ILE 45 CO 0.09 0.52 0.41 -0.33 -3.07 0.00 0.00 178.15 175.77 2dlv h GLU 46 N 0.12 0.48 -0.02 2.19 5.08 -0.98 -0.49 114.58 120.95 2dlv h GLU 46 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2dlv h GLU 46 Cb 0.94 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.10 2dlv h GLU 46 CO 0.07 0.32 -0.89 0.35 -1.00 0.00 0.00 179.01 177.86 2dlv h PHE 47 N 0.49 0.94 -0.87 4.33 3.57 -1.53 -3.09 116.94 120.78 2dlv h PHE 47 Ca 0.52 -0.50 0.13 0.00 3.53 0.00 0.00 57.97 61.65 2dlv h PHE 47 Cb 0.88 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.42 2dlv h PHE 47 CO -0.12 1.33 0.49 2.35 -2.23 0.00 0.00 178.31 180.13 2dlv h TRP 48 N 0.29 0.88 0.50 0.41 7.01 -1.08 -2.76 115.95 121.20 2dlv h TRP 48 Ca -0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 2dlv h TRP 48 Cb 1.56 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 2dlv h TRP 48 CO 0.11 0.28 -0.24 0.82 -2.79 0.00 0.00 178.44 176.62 2dlv h ILE 49 N 0.75 0.00 -1.50 2.65 2.04 -1.20 -2.93 117.51 117.32 2dlv h ILE 49 Ca 0.45 -0.18 0.43 0.00 1.00 0.00 0.00 64.86 66.56 2dlv h ILE 49 Cb 0.55 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 2dlv h ILE 49 CO -0.31 0.00 1.18 0.00 0.00 0.00 0.00 178.15 179.03 2dlv n ALA 50 N -2.48 1.44 0.04 1.87 0.00 -1.11 -0.62 120.51 119.64 2dlv n ALA 50 Ca -0.08 0.49 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 2dlv n ALA 50 Cb 0.27 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 2dlv n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlv h GLU 52 N -0.22 0.03 0.00 0.00 -0.00 -0.77 1.36 114.58 114.98 2dlv h GLU 52 Ca -0.01 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.18 2dlv h GLU 52 Cb 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 28.79 2dlv h GLU 52 CO 0.02 0.02 -1.49 -3.47 -0.00 0.00 0.00 179.01 174.09 2dlv n ASP 53 N -4.17 0.76 -0.00 3.06 -0.08 -0.74 -4.05 116.55 111.33 2dlv n ASP 53 Ca 0.34 0.33 0.05 0.00 -1.51 0.00 0.00 54.79 54.00 2dlv n ASP 53 Cb 1.53 0.32 0.44 0.00 2.34 0.00 0.00 41.12 45.75 2dlv n ASP 53 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2dlv h PHE 54 N 0.00 0.50 -0.22 -0.67 3.04 0.76 -1.67 116.94 118.68 2dlv h PHE 54 Ca -0.17 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.65 2dlv h PHE 54 Cb 1.57 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 2dlv h PHE 54 CO 0.00 0.31 -0.43 1.57 -2.02 0.00 0.00 178.31 177.74 2dlv h LYS 55 N 0.53 0.53 -1.04 1.11 2.10 -1.59 -3.15 116.57 115.06 2dlv h LYS 55 Ca 0.16 -0.28 0.36 0.00 -2.00 0.00 0.00 60.65 58.89 2dlv h LYS 55 Cb -0.01 0.01 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 2dlv h LYS 55 CO -0.04 0.86 0.66 1.63 -2.00 0.00 0.00 179.45 180.57 2dlv n LYS 56 N -4.02 -0.03 -1.54 0.07 5.02 -0.63 -4.44 118.16 112.59 2dlv n LYS 56 Ca -0.02 0.95 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 2dlv n LYS 56 Cb 0.53 -1.87 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 2dlv n LYS 56 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dlv n SER 57 N -4.21 -0.10 -0.05 4.39 2.88 -1.19 -4.94 113.62 110.40 2dlv n SER 57 Ca 0.30 0.79 -0.06 0.00 -1.33 0.00 0.00 58.87 58.57 2dlv n SER 57 Cb 1.18 -1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 2dlv n SER 57 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dlv n LYS 58 N -0.47 1.50 -3.30 -1.46 3.00 -1.26 -5.02 118.16 111.14 2dlv n LYS 58 Ca 0.12 0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.27 2dlv n LYS 58 Cb 0.47 -1.22 -0.01 0.00 0.00 0.00 0.00 35.03 34.27 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dlv s GLY 59 N -4.52 1.97 0.10 3.14 0.00 -1.26 -5.04 107.32 101.71 2dlv s GLY 59 Ca -0.09 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.75 2dlv s GLY 59 CO 0.30 -1.56 1.42 -0.56 0.00 0.00 0.00 173.10 172.70 2dlv h PRO 60 N 0.84 0.69 -0.11 2.90 0.13 -1.98 -3.20 132.00 131.26 2dlv h PRO 60 Ca -0.41 -0.36 0.01 0.00 -0.87 0.00 0.00 66.00 64.37 2dlv h PRO 60 Cb 1.27 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2dlv h PRO 60 CO 0.51 0.97 -0.08 0.37 -0.23 0.00 0.00 178.00 179.55 2dlv h GLN 61 N 0.43 -0.01 -0.47 0.86 -0.00 -1.99 0.26 115.11 114.19 2dlv h GLN 61 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.79 2dlv h GLN 61 Cb 0.84 0.00 -0.10 0.00 0.00 0.00 0.00 27.48 28.23 2dlv h GLN 61 CO 0.07 -0.01 -0.20 0.37 0.00 0.00 0.00 178.83 179.06 2dlv h GLN 62 N -0.01 -0.09 -0.88 1.69 5.75 -2.00 0.22 115.11 119.78 2dlv h GLN 62 Ca 0.02 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.72 2dlv h GLN 62 Cb 0.06 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 28.51 2dlv h GLN 62 CO -0.11 -0.06 0.41 0.82 -2.65 0.00 0.00 178.83 177.24 2dlv h ILE 63 N -0.10 0.56 0.03 2.39 2.04 -1.17 -0.14 117.51 121.11 2dlv h ILE 63 Ca 0.22 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 2dlv h ILE 63 Cb 0.44 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2dlv h ILE 63 CO -0.53 0.09 -0.01 0.45 0.00 0.00 0.00 178.15 178.14 2dlv h HIS 64 N 0.48 -0.03 0.49 1.37 3.86 0.15 -0.95 115.15 120.52 2dlv h HIS 64 Ca 0.53 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.72 2dlv h HIS 64 Cb 0.93 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 2dlv h HIS 64 CO -0.12 0.13 -0.37 -0.07 0.86 0.00 0.00 177.93 178.36 2dlv h LEU 65 N -0.19 -0.97 -0.83 2.43 3.38 -0.38 -1.99 115.31 116.76 2dlv h LEU 65 Ca -0.00 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.22 2dlv h LEU 65 Cb 0.17 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 2dlv h LEU 65 CO 0.01 -0.53 0.33 0.11 0.09 0.00 0.00 178.44 178.44 2dlv h LYS 66 N -0.83 0.38 -0.15 1.13 1.57 -1.14 0.60 116.57 118.14 2dlv h LYS 66 Ca -0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2dlv h LYS 66 Cb 0.69 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 2dlv h LYS 66 CO 0.02 0.25 -0.24 0.00 -0.57 0.00 0.00 179.45 178.92 2dlv h ALA 67 N 1.65 -0.20 0.05 3.86 0.00 -0.86 0.23 119.26 123.99 2dlv h ALA 67 Ca 0.49 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2dlv h ALA 67 Cb 0.86 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dlv h ALA 67 CO -0.49 -0.69 -0.03 -0.22 0.00 0.00 0.00 179.25 177.82 2dlv h LYS 68 N -0.29 -0.07 0.12 0.00 3.64 -0.46 0.19 116.57 119.69 2dlv h LYS 68 Ca 0.11 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2dlv h LYS 68 Cb 0.45 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2dlv h LYS 68 CO -0.32 0.15 -0.49 0.00 -2.27 0.00 0.00 179.45 176.53 2dlv h ALA 69 N 0.66 -0.89 -0.99 5.00 0.00 -0.64 -1.63 119.26 120.77 2dlv h ALA 69 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2dlv h ALA 69 Cb 0.25 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2dlv h ALA 69 CO 0.01 -1.07 0.65 0.82 0.00 0.00 0.00 179.25 179.66 2dlv h ILE 70 N -0.72 1.21 0.02 0.00 2.04 -0.58 -2.45 117.51 117.03 2dlv h ILE 70 Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2dlv h ILE 70 Cb 0.73 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2dlv h ILE 70 CO -0.28 0.24 -0.05 0.22 0.00 0.00 0.00 178.15 178.28 2dlv h TYR 71 N 1.29 -0.15 0.00 1.37 5.03 -0.21 0.96 116.97 125.26 2dlv h TYR 71 Ca 0.38 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.69 2dlv h TYR 71 Cb -0.07 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2dlv h TYR 71 CO -0.00 -0.06 0.00 0.39 -1.32 0.00 0.00 178.16 177.17 2dlv n GLU 72 N -2.71 0.11 -0.08 1.82 1.02 -0.68 0.03 120.64 120.15 2dlv n GLU 72 Ca -0.01 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2dlv n GLU 72 Cb 0.04 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 2dlv n GLU 72 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dlv h LYS 73 N 0.00 0.00 0.00 3.49 3.64 -0.40 -3.39 116.57 119.91 2dlv h LYS 73 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2dlv h LYS 73 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2dlv h LYS 73 CO 0.00 0.22 -1.15 1.19 -2.27 0.00 0.00 179.45 177.44 2dlv n PHE 74 N -4.58 0.00 0.01 1.91 3.01 -0.09 -2.59 117.46 115.13 2dlv n PHE 74 Ca -0.12 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.33 2dlv n PHE 74 Cb 0.34 -0.10 -0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2dlv n PHE 74 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2dlv h ILE 75 N 0.00 0.00 -3.16 4.37 1.08 -0.45 -3.25 117.51 116.09 2dlv h ILE 75 Ca -0.06 0.00 -0.58 0.00 -0.39 0.00 0.00 64.86 63.83 2dlv h ILE 75 Cb 1.09 0.00 0.16 0.00 -3.07 0.00 0.00 36.82 35.00 2dlv h ILE 75 CO -0.01 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.37 2dlv n GLN 76 N -2.43 0.84 0.02 2.37 10.64 0.60 -4.91 117.38 124.52 2dlv n GLN 76 Ca -0.00 0.32 -0.14 0.00 -1.83 0.00 0.00 57.00 55.35 2dlv n GLN 76 Cb 0.02 -1.93 -0.02 0.00 -0.86 0.00 0.00 30.24 27.44 2dlv n GLN 76 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2dlv h THR 77 N 0.66 1.33 0.00 -0.39 2.02 -1.91 -3.01 112.91 111.62 2dlv h THR 77 Ca -0.46 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 64.62 2dlv h THR 77 Cb 1.37 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2dlv h THR 77 CO 0.51 0.65 0.00 -0.67 0.37 0.00 0.00 175.52 176.38 2dlv n ASP 78 N -3.87 0.58 -4.82 4.18 2.03 -1.26 -4.80 116.55 108.59 2dlv n ASP 78 Ca -0.06 -1.46 -0.37 0.00 0.52 0.00 0.00 54.79 53.42 2dlv n ASP 78 Cb 0.74 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dlv s ALA 79 N -1.21 3.54 0.25 -1.67 0.00 -1.14 -4.98 121.76 116.56 2dlv s ALA 79 Ca 0.00 0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.18 2dlv s ALA 79 Cb 0.00 -2.66 0.86 0.00 0.00 0.00 0.00 23.12 21.32 2dlv s ALA 79 CO 0.00 0.40 1.82 -1.00 0.00 0.00 0.00 175.76 176.98 2dlv h PRO 80 N 3.92 0.00 -0.35 0.00 0.13 -1.81 -2.84 132.00 131.05 2dlv h PRO 80 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dlv h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dlv h PRO 80 CO 0.65 0.31 0.00 1.63 -0.23 0.00 0.00 178.00 180.36 2dlv n LYS 81 N -3.65 3.27 -1.65 0.86 4.76 -1.07 -5.01 118.16 115.67 2dlv n LYS 81 Ca -0.01 -2.77 -0.58 0.00 -2.87 0.00 0.00 58.31 52.08 2dlv n LYS 81 Cb 0.43 -1.82 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 2dlv n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2dlv n GLU 82 N -0.05 0.97 -3.06 1.97 0.00 -1.07 -4.48 120.64 114.93 2dlv n GLU 82 Ca 0.21 0.34 -0.19 0.00 0.00 0.00 0.00 57.16 57.52 2dlv n GLU 82 Cb 0.86 -2.06 0.05 0.00 0.00 0.00 0.00 31.44 30.29 2dlv n GLU 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2dlv s VAL 83 N 4.16 2.35 -0.65 6.31 -7.23 -1.23 -5.03 120.40 119.09 2dlv s VAL 83 Ca 1.02 -1.02 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 2dlv s VAL 83 Cb -1.11 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 33.48 2dlv s VAL 83 CO 0.65 0.00 1.42 0.20 -0.31 0.00 0.00 175.10 177.06 2dlv s ASN 84 N -4.57 6.01 0.02 4.85 0.01 -1.26 -4.98 114.94 115.01 2dlv s ASN 84 Ca 0.59 -0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.74 2dlv s ASN 84 Cb -0.07 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2dlv s ASN 84 CO 0.37 -1.87 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.20 2dlv s LEU 85 N 6.40 2.10 0.50 0.60 1.43 -1.26 -4.83 118.68 123.62 2dlv s LEU 85 Ca 0.47 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 2dlv s LEU 85 Cb -0.10 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 2dlv s LEU 85 CO 0.20 0.07 1.10 1.51 0.23 0.00 0.00 176.35 179.46 2dlv s ASP 86 N -0.73 6.09 0.14 2.29 -4.77 -1.26 -4.85 116.67 113.58 2dlv s ASP 86 Ca 0.02 2.11 -0.31 0.00 -3.30 0.00 0.00 52.55 51.07 2dlv s ASP 86 Cb -0.06 -2.58 -0.07 0.00 -1.09 0.00 0.00 42.92 39.12 2dlv s ASP 86 CO 0.00 -0.96 1.55 0.15 0.70 0.00 0.00 175.17 176.62 2dlv h PHE 87 N 1.58 -1.66 -0.98 2.11 3.57 -2.00 -1.53 116.94 118.04 2dlv h PHE 87 Ca -0.50 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.18 2dlv h PHE 87 Cb 1.24 0.80 -0.12 0.00 2.79 0.00 0.00 35.95 40.66 2dlv h PHE 87 CO 0.54 -0.46 -0.59 1.25 -2.23 0.00 0.00 178.31 176.82 2dlv h HIS 88 N -0.30 -1.88 -0.50 0.41 2.76 -1.98 0.56 115.15 114.21 2dlv h HIS 88 Ca 0.11 0.13 0.10 0.00 -2.20 0.00 0.00 60.37 58.51 2dlv h HIS 88 Cb 0.56 0.95 -0.10 0.00 1.55 0.00 0.00 27.41 30.37 2dlv h HIS 88 CO -0.78 -0.38 -0.20 1.15 -1.30 0.00 0.00 177.93 176.43 2dlv h THR 89 N -0.02 0.38 -0.37 6.26 2.02 -1.68 0.61 112.91 120.11 2dlv h THR 89 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2dlv h THR 89 Cb 0.42 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2dlv h THR 89 CO -0.93 0.00 0.14 0.11 0.37 0.00 0.00 175.52 175.21 2dlv h LYS 90 N -0.08 0.52 0.04 6.66 1.57 0.02 -2.73 116.57 122.57 2dlv h LYS 90 Ca 0.24 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2dlv h LYS 90 Cb 0.45 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2dlv h LYS 90 CO -0.56 0.44 -0.02 1.49 -0.57 0.00 0.00 179.45 180.22 2dlv h GLU 91 N 0.51 -0.06 -0.72 3.15 4.57 0.28 -2.83 114.58 119.49 2dlv h GLU 91 Ca 0.13 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.49 2dlv h GLU 91 Cb 0.12 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 28.58 2dlv h GLU 91 CO -0.01 -0.04 -0.05 1.55 -1.18 0.00 0.00 179.01 179.28 2dlv n VAL 92 N -2.48 -0.30 -0.19 0.32 3.14 0.18 0.23 118.33 119.23 2dlv n VAL 92 Ca -0.01 1.61 -0.08 0.00 -2.96 0.00 0.00 64.34 62.91 2dlv n VAL 92 Cb 0.02 -2.32 0.02 0.00 -1.06 0.00 0.00 33.84 30.50 2dlv n VAL 92 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2dlv h ILE 93 N 0.00 1.22 -0.79 1.55 2.04 -1.60 0.55 117.51 120.47 2dlv h ILE 93 Ca 0.41 -0.67 0.15 0.00 1.00 0.00 0.00 64.86 65.76 2dlv h ILE 93 Cb 0.79 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 2dlv h ILE 93 CO -0.70 0.26 0.34 0.74 0.00 0.00 0.00 178.15 178.78 2dlv h THR 94 N 0.74 0.64 0.00 -0.27 2.02 0.32 1.20 112.91 117.55 2dlv h THR 94 Ca 0.18 -0.16 -0.22 0.00 0.77 0.00 0.00 66.41 66.98 2dlv h THR 94 Cb 0.19 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 2dlv h THR 94 CO -0.02 0.09 -1.36 0.78 0.37 0.00 0.00 175.52 175.38 2dlv h ASN 95 N 0.47 0.00 -0.46 4.18 2.35 -1.18 -3.30 115.58 117.63 2dlv h ASN 95 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2dlv h ASN 95 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2dlv h ASN 95 CO -0.42 0.83 0.00 -0.24 -1.65 0.00 0.00 177.43 175.95 2dlv n SER 96 N -3.08 4.13 0.05 5.81 2.88 0.19 -4.11 113.62 119.49 2dlv n SER 96 Ca -0.09 -2.52 0.13 0.00 -1.33 0.00 0.00 58.87 55.06 2dlv n SER 96 Cb 0.94 -0.57 0.52 0.00 -0.75 0.00 0.00 64.21 64.34 2dlv n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dlv n ILE 97 N 0.63 0.29 -0.02 2.46 0.13 0.40 -1.66 119.36 121.59 2dlv n ILE 97 Ca 0.20 -0.12 0.04 0.00 -1.10 0.00 0.00 62.75 61.77 2dlv n ILE 97 Cb 0.83 -0.55 -0.12 0.00 -0.84 0.00 0.00 39.64 38.97 2dlv n ILE 97 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2dlv n THR 98 N -1.85 0.21 -1.40 9.51 5.66 -1.26 -4.49 114.28 120.66 2dlv n THR 98 Ca 0.06 -0.40 0.05 0.00 -3.05 0.00 0.00 64.05 60.71 2dlv n THR 98 Cb 0.38 -0.02 0.19 0.00 -1.55 0.00 0.00 70.33 69.33 2dlv n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dlv n GLN 99 N -2.13 1.65 -2.24 1.09 10.64 -1.22 -5.05 117.38 120.12 2dlv n GLN 99 Ca -0.07 -3.08 -0.41 0.00 -1.83 0.00 0.00 57.00 51.61 2dlv n GLN 99 Cb 0.52 -1.64 -0.03 0.00 -0.86 0.00 0.00 30.24 28.22 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2dlv s PRO 100 N -3.13 4.43 0.56 2.61 0.04 -0.66 -5.02 135.00 133.83 2dlv s PRO 100 Ca 0.38 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.54 2dlv s PRO 100 Cb 0.35 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.79 2dlv s PRO 100 CO -0.02 -0.15 0.50 0.95 0.04 0.00 0.00 177.00 178.32 2dlv s THR 101 N -0.46 1.69 0.48 1.26 -4.23 -1.26 -4.90 115.64 108.21 2dlv s THR 101 Ca 0.52 -1.38 0.34 0.00 -1.18 0.00 0.00 61.69 59.99 2dlv s THR 101 Cb -0.36 -2.07 0.34 0.00 1.34 0.00 0.00 72.50 71.74 2dlv s THR 101 CO 0.43 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.47 2dlv h LEU 102 N 0.59 0.00 -3.17 4.79 3.38 -1.95 0.34 115.31 119.29 2dlv h LEU 102 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2dlv h LEU 102 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2dlv h LEU 102 CO 0.53 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.06 2dlv n HIS 103 N -2.81 0.79 0.24 1.13 1.44 -1.26 -4.54 115.22 110.21 2dlv n HIS 103 Ca -0.02 -0.80 -0.15 0.00 -2.01 0.00 0.00 57.72 54.73 2dlv n HIS 103 Cb 0.18 -0.25 -0.08 0.00 0.12 0.00 0.00 29.99 29.97 2dlv n HIS 103 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2dlv h SER 104 N 1.75 -0.48 0.00 4.39 0.87 -0.66 -2.14 113.55 117.27 2dlv h SER 104 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dlv h SER 104 Cb 1.27 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2dlv h SER 104 CO 0.17 -0.28 0.00 0.49 -0.53 0.00 0.00 176.83 176.67 2dlv n PHE 105 N -5.30 0.00 -0.12 2.24 3.72 -1.26 -3.88 117.46 112.86 2dlv n PHE 105 Ca -0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.21 2dlv n PHE 105 Cb 0.26 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2dlv n PHE 105 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2dlv h ASP 106 N 0.00 0.45 0.59 4.37 3.58 -1.69 -1.29 116.42 122.43 2dlv h ASP 106 Ca 0.00 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2dlv h ASP 106 Cb 0.04 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 40.98 2dlv h ASP 106 CO 0.00 0.36 -0.28 0.00 -2.88 0.00 0.00 179.24 176.44 2dlv h ALA 107 N 1.11 -0.79 -0.93 -0.78 0.00 -1.75 -3.18 119.26 112.94 2dlv h ALA 107 Ca 0.14 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.12 2dlv h ALA 107 Cb -0.01 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 17.94 2dlv h ALA 107 CO -0.03 -0.75 0.38 0.00 0.00 0.00 0.00 179.25 178.85 2dlv h ALA 108 N -1.10 1.54 -0.80 0.00 0.00 -1.80 0.31 119.26 117.41 2dlv h ALA 108 Ca -0.08 0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2dlv h ALA 108 Cb 0.63 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 2dlv h ALA 108 CO 0.13 -0.47 0.40 0.37 0.00 0.00 0.00 179.25 179.68 2dlv h GLN 109 N 0.29 0.59 0.11 0.00 4.15 -1.23 -1.99 115.11 117.03 2dlv h GLN 109 Ca 0.62 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.99 2dlv h GLN 109 Cb 1.29 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2dlv h GLN 109 CO -0.61 0.39 -0.05 1.03 -1.93 0.00 0.00 178.83 177.65 2dlv h SER 110 N 0.61 -0.12 -0.80 -0.69 0.87 -0.37 0.80 113.55 113.85 2dlv h SER 110 Ca 0.42 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.13 2dlv h SER 110 Cb 0.55 0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 62.40 2dlv h SER 110 CO -0.34 -0.08 -0.24 -0.09 -0.53 0.00 0.00 176.83 175.56 2dlv h ARG 111 N -0.15 -0.02 -0.25 2.24 1.12 -1.15 0.10 114.38 116.27 2dlv h ARG 111 Ca -0.01 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.67 2dlv h ARG 111 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2dlv h ARG 111 CO 0.02 -0.01 -0.56 0.28 -3.11 0.00 0.00 179.97 176.59 2dlv h VAL 112 N -0.02 1.28 -0.69 0.20 2.07 -1.31 -2.82 116.25 114.96 2dlv h VAL 112 Ca 0.37 -1.75 0.14 0.00 0.82 0.00 0.00 66.70 66.28 2dlv h VAL 112 Cb 0.59 1.73 -0.13 0.00 -1.52 0.00 0.00 31.29 31.96 2dlv h VAL 112 CO -0.83 0.56 -0.16 0.22 0.02 0.00 0.00 177.57 177.39 2dlv h TYR 113 N 0.58 -0.34 -0.30 1.57 3.20 0.17 0.11 116.97 121.96 2dlv h TYR 113 Ca 0.00 0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2dlv h TYR 113 Cb 1.17 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2dlv h TYR 113 CO 0.08 -0.29 -0.46 1.96 -1.64 0.00 0.00 178.16 177.81 2dlv h GLN 114 N 0.01 0.79 -0.10 1.82 1.08 -1.33 -2.07 115.11 115.30 2dlv h GLN 114 Ca 0.34 -0.45 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2dlv h GLN 114 Cb 0.52 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2dlv h GLN 114 CO -0.70 1.08 0.12 -0.07 -0.95 0.00 0.00 178.83 178.30 2dlv h LEU 115 N 0.63 0.00 0.00 1.46 3.38 -0.60 0.17 115.31 120.35 2dlv h LEU 115 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dlv h LEU 115 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dlv h LEU 115 CO 0.10 0.00 -1.45 0.23 0.09 0.00 0.00 178.44 177.41 2dlv n MET 116 N -3.84 0.50 0.00 1.13 2.81 -0.21 -4.05 117.12 113.47 2dlv n MET 116 Ca -0.00 -0.06 0.12 0.00 -1.81 0.00 0.00 57.70 55.94 2dlv n MET 116 Cb 0.22 -1.61 0.20 0.00 -0.71 0.00 0.00 33.22 31.32 2dlv n MET 116 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2dlv n GLU 117 N -2.22 0.52 0.00 0.03 2.13 0.08 -0.18 120.64 121.00 2dlv n GLU 117 Ca -0.01 -0.36 0.00 0.00 0.66 0.00 0.00 57.16 57.45 2dlv n GLU 117 Cb 0.51 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2dlv n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dlv n GLN 118 N -0.93 0.00 -0.01 5.31 10.64 0.36 -4.56 117.38 128.18 2dlv n GLN 118 Ca 0.08 0.40 -0.02 0.00 -1.83 0.00 0.00 57.00 55.64 2dlv n GLN 118 Cb 0.36 -1.17 -0.01 0.00 -0.86 0.00 0.00 30.24 28.56 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2dlv n ASP 119 N -1.71 3.94 -0.27 2.61 5.75 -1.26 -4.50 116.55 121.11 2dlv n ASP 119 Ca 0.00 -0.01 0.09 0.00 -0.01 0.00 0.00 54.79 54.86 2dlv n ASP 119 Cb 0.00 0.08 0.23 0.00 -1.03 0.00 0.00 41.12 40.40 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dlv h SER 120 N 0.00 0.09 0.17 -1.12 0.02 -1.80 0.29 113.55 111.21 2dlv h SER 120 Ca -0.06 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2dlv h SER 120 Cb 1.10 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2dlv h SER 120 CO -0.01 -0.04 -0.08 0.22 -1.14 0.00 0.00 176.83 175.77 2dlv h TYR 121 N 0.30 -0.22 -0.95 3.45 3.20 -0.81 0.08 116.97 122.02 2dlv h TYR 121 Ca 0.48 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.47 2dlv h TYR 121 Cb 0.86 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 2dlv h TYR 121 CO -0.23 0.13 0.60 1.79 -1.64 0.00 0.00 178.16 178.81 2dlv h THR 122 N -0.59 0.90 -0.12 1.81 1.35 -1.53 -1.72 112.91 113.00 2dlv h THR 122 Ca -0.02 -0.30 -0.13 0.00 -0.55 0.00 0.00 66.41 65.40 2dlv h THR 122 Cb 0.44 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2dlv h THR 122 CO 0.04 0.16 -0.45 0.03 -0.25 0.00 0.00 175.52 175.05 2dlv h ARG 123 N 0.87 0.51 -0.97 4.72 3.08 -0.40 -3.20 114.38 118.99 2dlv h ARG 123 Ca 0.47 -0.39 0.15 0.00 0.07 0.00 0.00 59.98 60.28 2dlv h ARG 123 Cb 0.56 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 2dlv h ARG 123 CO -0.23 1.02 0.61 0.35 -1.07 0.00 0.00 179.97 180.65 2dlv h PHE 124 N 0.12 1.01 -0.36 3.04 3.57 -0.13 0.15 116.94 124.34 2dlv h PHE 124 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2dlv h PHE 124 Cb 1.08 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2dlv h PHE 124 CO 0.11 0.34 0.16 -0.07 -2.23 0.00 0.00 178.31 176.61 2dlv h LEU 125 N 0.82 0.44 -3.27 0.59 3.38 -1.36 -1.27 115.31 114.64 2dlv h LEU 125 Ca 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2dlv h LEU 125 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dlv h LEU 125 CO -0.28 0.39 0.00 2.29 0.09 0.00 0.00 178.44 180.93 2dlv n LYS 126 N -4.41 4.05 -2.80 1.13 2.85 0.34 -4.80 118.16 114.52 2dlv n LYS 126 Ca 0.02 -2.97 -0.25 0.00 -1.05 0.00 0.00 58.31 54.06 2dlv n LYS 126 Cb 0.13 -2.00 0.01 0.00 -0.65 0.00 0.00 35.03 32.52 2dlv n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2dlv s SER 127 N -0.93 5.98 0.06 -5.58 1.04 -0.18 -5.02 113.70 109.08 2dlv s SER 127 Ca 0.52 0.61 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 2dlv s SER 127 Cb 0.35 -1.87 -0.29 0.00 0.10 0.00 0.00 66.02 64.31 2dlv s SER 127 CO 0.21 -0.68 1.11 -0.78 0.98 0.00 0.00 173.24 174.08 2dlv h ASP 128 N 0.27 0.69 -0.93 7.02 3.58 -1.91 -2.98 116.42 122.16 2dlv h ASP 128 Ca -0.47 -0.69 0.09 0.00 0.42 0.00 0.00 57.03 56.38 2dlv h ASP 128 Cb 1.23 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 2dlv h ASP 128 CO 0.60 1.52 0.60 0.40 -2.88 0.00 0.00 179.24 179.48 2dlv h ILE 129 N 0.17 0.99 -0.04 2.25 2.04 -1.94 0.50 117.51 121.49 2dlv h ILE 129 Ca -0.18 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 2dlv h ILE 129 Cb 1.98 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2dlv h ILE 129 CO 0.23 0.18 -0.22 0.22 0.00 0.00 0.00 178.15 178.56 2dlv h TYR 130 N 0.97 0.29 0.00 1.37 3.20 -1.78 -1.45 116.97 119.58 2dlv h TYR 130 Ca 0.43 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 2dlv h TYR 130 Cb 0.35 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2dlv h TYR 130 CO -0.00 0.87 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.09 2dlv h LEU 131 N -0.36 0.00 0.11 2.82 3.38 -1.28 -3.12 115.31 116.85 2dlv h LEU 131 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dlv h LEU 131 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dlv h LEU 131 CO 0.05 0.22 -0.05 -0.78 0.09 0.00 0.00 178.44 177.97 2dlv h ASP 132 N 0.00 -0.13 -1.68 -0.43 3.58 -0.01 0.14 116.42 117.90 2dlv h ASP 132 Ca -0.00 -0.22 0.53 0.00 0.42 0.00 0.00 57.03 57.75 2dlv h ASP 132 Cb 0.43 0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.40 2dlv h ASP 132 CO 0.03 0.45 1.15 0.00 -2.88 0.00 0.00 179.24 177.99 2dlv n LEU 133 N -4.85 0.11 -0.08 2.28 -0.00 -0.55 0.75 117.00 114.66 2dlv n LEU 133 Ca -0.04 1.20 -0.16 0.00 -0.00 0.00 0.00 56.01 57.01 2dlv n LEU 133 Cb 0.17 -0.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.86 2dlv n LEU 133 CO 0.13 -1.26 -1.06 1.15 -0.00 0.00 0.00 177.39 176.35 2dlv n MET 134 N -4.33 0.68 -3.84 1.47 0.00 -1.18 -4.37 117.12 105.54 2dlv n MET 134 Ca 0.43 0.16 -0.26 0.00 0.00 0.00 0.00 57.70 58.03 2dlv n MET 134 Cb 1.80 -1.60 0.02 0.00 0.00 0.00 0.00 33.22 33.43 2dlv n MET 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2dlv n SER 135 N -3.17 -2.27 -1.87 3.17 2.88 0.23 -4.97 113.62 107.62 2dlv n SER 135 Ca -0.36 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2dlv n SER 135 Cb 1.05 -3.77 0.00 0.00 -0.75 0.00 0.00 64.21 60.74 2dlv n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlv n GLY 136 N -1.67 0.45 0.00 0.46 0.00 -1.25 -4.89 105.19 98.29 2dlv n GLY 136 Ca -0.18 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 44.10 2dlv n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dlv n PRO 137 N 0.00 0.49 -1.04 1.61 -0.04 -1.26 -4.85 135.00 129.91 2dlv n PRO 137 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2dlv n PRO 137 Cb 0.00 -1.07 0.11 0.00 -0.04 0.00 0.00 33.50 32.51 2dlv n PRO 137 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dlv n SER 138 N -0.57 -0.36 -0.88 3.54 3.41 -1.26 -4.93 113.62 112.57 2dlv n SER 138 Ca 0.02 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 2dlv n SER 138 Cb 0.01 -1.36 0.25 0.00 -0.26 0.00 0.00 64.21 62.85 2dlv n SER 138 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dlv n SER 139 N -2.08 3.77 0.00 4.04 3.41 -1.26 -5.13 113.62 116.37 2dlv n SER 139 Ca 0.11 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2dlv n SER 139 Cb 0.51 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2dlv n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49