#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 0.48 0.15 1.61 0.15 -1.26 -5.06 113.70 109.76 2dlv s SER 2 Ca 0.00 -0.95 -0.31 0.00 0.70 0.00 0.00 55.95 55.39 2dlv s SER 2 Cb 0.00 0.19 -0.08 0.00 -1.71 0.00 0.00 66.02 64.41 2dlv s SER 2 CO 0.00 -0.57 1.54 -1.28 1.20 0.00 0.00 173.24 174.13 2dlv h SER 3 N 3.30 -2.04 0.00 5.45 0.87 -2.09 -3.48 113.55 115.57 2dlv h SER 3 Ca -0.34 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dlv h SER 3 Cb 1.15 0.88 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2dlv h SER 3 CO 0.63 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 2dlv n GLY 4 N -1.29 -0.26 3.86 5.77 0.00 -1.26 -5.13 105.19 106.88 2dlv n GLY 4 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2dlv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlv s SER 5 N -4.00 5.48 0.42 1.61 1.04 -1.26 -5.08 113.70 111.90 2dlv s SER 5 Ca 0.00 1.30 0.08 0.00 0.48 0.00 0.00 55.95 57.80 2dlv s SER 5 Cb 0.00 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 2dlv s SER 5 CO 0.00 -1.34 0.46 -0.44 0.98 0.00 0.00 173.24 172.90 2dlv s SER 6 N -4.16 5.29 -0.13 7.02 0.01 -1.26 -4.87 113.70 115.59 2dlv s SER 6 Ca 0.58 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2dlv s SER 6 Cb -0.12 -0.58 0.02 0.00 0.21 0.00 0.00 66.02 65.55 2dlv s SER 6 CO 0.53 -0.71 -0.13 -0.83 0.41 0.00 0.00 173.24 172.51 2dlv s GLY 7 N -4.23 1.04 0.34 3.44 0.00 -1.26 -4.74 107.32 101.91 2dlv s GLY 7 Ca 0.51 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 44.29 2dlv s GLY 7 CO 0.30 0.50 0.76 -0.56 0.00 0.00 0.00 173.10 174.10 2dlv s SER 8 N 1.39 6.77 0.00 1.64 0.01 -1.26 -4.95 113.70 117.31 2dlv s SER 8 Ca 0.02 1.31 0.15 0.00 1.31 0.00 0.00 55.95 58.74 2dlv s SER 8 Cb -0.13 -2.39 0.74 0.00 0.21 0.00 0.00 66.02 64.45 2dlv s SER 8 CO -0.08 -0.23 1.41 -0.81 0.41 0.00 0.00 173.24 173.94 2dlv n PRO 9 N -0.45 0.20 0.04 12.44 -0.04 -1.26 -2.42 135.00 143.51 2dlv n PRO 9 Ca 0.04 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2dlv n PRO 9 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2dlv n PRO 9 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dlv h GLU 10 N 0.00 0.00 0.01 0.54 4.81 -2.01 -3.31 114.58 114.62 2dlv h GLU 10 Ca 0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 2dlv h GLU 10 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2dlv h GLU 10 CO 0.00 0.86 -0.96 0.93 -0.73 0.00 0.00 179.01 179.11 2dlv h GLU 11 N 0.00 0.37 0.37 1.92 4.39 -1.88 -3.29 114.58 116.46 2dlv h GLU 11 Ca -0.09 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 2dlv h GLU 11 Cb 1.84 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2dlv h GLU 11 CO 0.12 1.10 -0.28 0.00 -1.16 0.00 0.00 179.01 178.78 2dlv h ALA 12 N 0.75 -1.05 -1.18 3.43 0.00 -1.66 0.26 119.26 119.82 2dlv h ALA 12 Ca -0.08 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.09 2dlv h ALA 12 Cb 1.60 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 19.72 2dlv h ALA 12 CO 0.16 -1.04 0.73 -0.24 0.00 0.00 0.00 179.25 178.86 2dlv h VAL 13 N -0.63 0.19 -0.03 0.00 3.04 -1.70 0.33 116.25 117.45 2dlv h VAL 13 Ca -0.05 -0.05 -0.07 0.00 -1.01 0.00 0.00 66.70 65.52 2dlv h VAL 13 Cb 0.52 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2dlv h VAL 13 CO 0.01 0.03 -0.25 0.11 -1.01 0.00 0.00 177.57 176.46 2dlv h LYS 14 N 0.16 0.23 -0.78 4.17 1.57 -1.50 -3.30 116.57 117.11 2dlv h LYS 14 Ca 0.78 -0.20 0.15 0.00 -1.87 0.00 0.00 60.65 59.50 2dlv h LYS 14 Cb 2.23 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 34.44 2dlv h LYS 14 CO -0.49 0.88 -0.22 0.91 -0.57 0.00 0.00 179.45 179.96 2dlv n TRP 15 N -4.50 0.21 -0.30 -1.35 8.01 0.12 0.14 117.44 119.77 2dlv n TRP 15 Ca -0.09 0.95 0.13 0.00 -1.31 0.00 0.00 57.50 57.18 2dlv n TRP 15 Cb 0.48 -0.91 0.29 0.00 -2.01 0.00 0.00 31.31 29.16 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 1.37 -0.41 6.99 0.00 -1.61 -2.34 103.07 107.07 2dlv h GLY 16 Ca 0.35 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.66 2dlv h GLY 16 CO -0.79 -0.35 -0.24 1.18 0.00 0.00 0.00 176.54 176.33 2dlv n GLU 17 N -5.20 -0.18 -4.06 4.80 1.02 0.38 -4.64 120.64 112.75 2dlv n GLU 17 Ca 0.21 1.03 -0.09 0.00 -0.02 0.00 0.00 57.16 58.29 2dlv n GLU 17 Cb 0.67 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 2dlv n GLU 17 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dlv s SER 18 N -4.22 0.52 0.09 1.62 0.01 -0.88 -5.06 113.70 105.78 2dlv s SER 18 Ca -0.05 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.21 2dlv s SER 18 Cb 0.05 0.14 -0.11 0.00 0.21 0.00 0.00 66.02 66.30 2dlv s SER 18 CO 0.26 -0.44 1.68 0.15 0.41 0.00 0.00 173.24 175.29 2dlv h PHE 19 N 3.78 0.16 -0.93 2.43 3.57 -1.82 -2.79 116.94 121.34 2dlv h PHE 19 Ca -0.34 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.43 2dlv h PHE 19 Cb 1.17 -0.05 -0.15 0.00 2.79 0.00 0.00 35.95 39.71 2dlv h PHE 19 CO 0.59 0.19 0.31 0.38 -2.23 0.00 0.00 178.31 177.56 2dlv h ASP 20 N 0.09 0.07 -0.65 0.41 2.03 -1.97 0.41 116.42 116.81 2dlv h ASP 20 Ca 0.04 0.21 0.11 0.00 -0.73 0.00 0.00 57.03 56.66 2dlv h ASP 20 Cb 0.09 0.27 -0.08 0.00 -0.83 0.00 0.00 39.33 38.78 2dlv h ASP 20 CO -0.01 -0.21 0.24 0.11 -1.03 0.00 0.00 179.24 178.35 2dlv h LYS 21 N 0.18 0.40 0.71 4.15 1.57 -1.77 0.22 116.57 122.03 2dlv h LYS 21 Ca 0.63 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.35 2dlv h LYS 21 Cb 1.36 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2dlv h LYS 21 CO -0.69 0.26 -0.46 1.25 -0.57 0.00 0.00 179.45 179.24 2dlv h LEU 22 N 0.41 -1.17 -0.39 2.94 5.85 -0.24 -2.83 115.31 119.87 2dlv h LEU 22 Ca 0.34 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.19 2dlv h LEU 22 Cb 0.45 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2dlv h LEU 22 CO -0.34 -0.69 0.03 -0.07 -0.34 0.00 0.00 178.44 177.02 2dlv h LEU 23 N -1.10 -0.10 -0.96 2.25 3.38 -1.24 -1.84 115.31 115.69 2dlv h LEU 23 Ca -0.10 0.08 0.29 0.00 0.09 0.00 0.00 57.88 58.25 2dlv h LEU 23 Cb 0.89 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 2dlv h LEU 23 CO 0.08 -0.02 0.17 -1.28 0.09 0.00 0.00 178.44 177.49 2dlv h SER 24 N 0.14 -0.22 -3.99 -0.43 0.87 -0.45 -3.40 113.55 106.06 2dlv h SER 24 Ca 0.19 0.26 -0.50 0.00 -1.23 0.00 0.00 61.79 60.51 2dlv h SER 24 Cb 0.26 0.40 0.04 0.00 -0.44 0.00 0.00 62.40 62.65 2dlv h SER 24 CO -0.29 -0.32 0.27 -2.28 -0.53 0.00 0.00 176.83 173.67 2dlv s HIS 25 N -5.90 3.57 -0.14 2.24 5.65 -0.69 -5.04 115.29 114.98 2dlv s HIS 25 Ca -0.12 1.11 -0.10 0.00 0.25 0.00 0.00 55.06 56.21 2dlv s HIS 25 Cb 0.29 -2.55 -0.06 0.00 -1.18 0.00 0.00 32.58 29.09 2dlv s HIS 25 CO 0.78 -0.44 -0.02 -0.09 -0.65 0.00 0.00 174.74 174.31 2dlv h ARG 26 N 0.19 0.00 -0.42 2.88 9.65 -1.81 -3.19 114.38 121.68 2dlv h ARG 26 Ca -0.46 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.51 2dlv h ARG 26 Cb 1.19 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.68 2dlv h ARG 26 CO 0.62 0.19 -0.32 0.22 2.80 0.00 0.00 179.97 183.48 2dlv h ASP 27 N -1.00 -1.07 -0.26 -3.80 3.58 -1.89 -0.78 116.42 111.19 2dlv h ASP 27 Ca -0.05 0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.63 2dlv h ASP 27 Cb 0.51 0.51 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 2dlv h ASP 27 CO -0.03 -0.32 0.04 1.23 -2.88 0.00 0.00 179.24 177.29 2dlv h GLY 28 N -0.24 0.29 0.22 -0.78 0.00 -1.81 -2.47 103.07 98.27 2dlv h GLY 28 Ca 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.56 2dlv h GLY 28 CO -0.55 -0.02 -0.22 -2.00 0.00 0.00 0.00 176.54 173.75 2dlv h LEU 29 N 0.14 -0.70 0.05 3.11 5.85 -1.30 -1.83 115.31 120.63 2dlv h LEU 29 Ca 0.12 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2dlv h LEU 29 Cb 0.13 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2dlv h LEU 29 CO -0.17 -0.26 -0.50 -0.33 -0.34 0.00 0.00 178.44 176.84 2dlv h GLU 30 N -0.23 -0.65 -0.90 1.25 4.39 -0.92 -1.29 114.58 116.23 2dlv h GLU 30 Ca 0.13 0.04 0.25 0.00 0.34 0.00 0.00 59.36 60.12 2dlv h GLU 30 Cb 0.43 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.09 2dlv h GLU 30 CO -0.35 -0.43 0.30 0.00 -1.16 0.00 0.00 179.01 177.37 2dlv h ALA 31 N -0.55 1.41 -0.15 3.43 0.00 -1.15 0.12 119.26 122.36 2dlv h ALA 31 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2dlv h ALA 31 Cb 0.70 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2dlv h ALA 31 CO -0.31 -0.48 0.02 0.35 0.00 0.00 0.00 179.25 178.84 2dlv h PHE 32 N 0.24 0.03 -0.43 0.00 3.57 -0.41 -2.79 116.94 117.15 2dlv h PHE 32 Ca 0.59 0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.18 2dlv h PHE 32 Cb 1.21 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.87 2dlv h PHE 32 CO -0.21 0.01 -0.16 1.15 -2.23 0.00 0.00 178.31 176.86 2dlv h THR 33 N 0.08 0.46 -0.27 4.41 2.02 0.09 -2.66 112.91 117.04 2dlv h THR 33 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 2dlv h THR 33 Cb 0.07 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2dlv h THR 33 CO -0.10 0.00 -0.32 0.03 0.37 0.00 0.00 175.52 175.50 2dlv h ARG 34 N -0.07 -0.19 -0.89 6.66 -0.00 -1.19 0.18 114.38 118.88 2dlv h ARG 34 Ca 0.21 0.01 0.31 0.00 -0.50 0.00 0.00 59.98 60.01 2dlv h ARG 34 Cb 0.39 0.04 -0.16 0.00 0.00 0.00 0.00 29.97 30.24 2dlv h ARG 34 CO -0.48 -0.13 0.24 0.34 0.00 0.00 0.00 179.97 179.94 2dlv n PHE 35 N -4.22 0.80 -0.04 3.04 7.35 -1.01 0.92 117.46 124.30 2dlv n PHE 35 Ca -0.02 1.07 -0.14 0.00 -0.76 0.00 0.00 57.45 57.61 2dlv n PHE 35 Cb 0.19 -1.31 -0.08 0.00 0.35 0.00 0.00 39.48 38.62 2dlv n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlv h LEU 36 N 0.00 0.29 -0.83 -2.13 3.38 -0.78 -3.19 115.31 112.05 2dlv h LEU 36 Ca 0.65 -0.54 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2dlv h LEU 36 Cb 1.54 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 42.06 2dlv h LEU 36 CO -0.77 0.77 -0.13 0.11 0.09 0.00 0.00 178.44 178.52 2dlv h LYS 37 N -0.19 0.02 -0.72 1.13 1.57 0.33 0.70 116.57 119.41 2dlv h LYS 37 Ca 0.01 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dlv h LYS 37 Cb 0.72 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2dlv h LYS 37 CO 0.03 0.02 0.48 1.79 -0.57 0.00 0.00 179.45 181.20 2dlv h THR 38 N 0.03 1.17 -0.38 -0.16 1.35 -1.42 -0.31 112.91 113.19 2dlv h THR 38 Ca 0.43 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 2dlv h THR 38 Cb 0.71 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2dlv h THR 38 CO -0.82 0.17 0.00 -0.62 -0.25 0.00 0.00 175.52 174.01 2dlv n GLU 39 N -4.43 2.47 -2.76 4.72 -0.58 0.22 -4.89 120.64 115.38 2dlv n GLU 39 Ca 0.08 -1.61 -0.15 0.00 -0.42 0.00 0.00 57.16 55.06 2dlv n GLU 39 Cb 0.05 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.35 2dlv n GLU 39 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2dlv n PHE 40 N 0.57 -1.60 -0.71 -0.32 -1.74 0.39 -4.80 117.46 109.25 2dlv n PHE 40 Ca 0.15 0.17 0.07 0.00 -0.56 0.00 0.00 57.45 57.27 2dlv n PHE 40 Cb 0.53 -2.71 0.14 0.00 1.52 0.00 0.00 39.48 38.96 2dlv n PHE 40 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2dlv n SER 41 N -1.95 2.74 -0.21 5.98 7.64 -0.37 -4.69 113.62 122.76 2dlv n SER 41 Ca -0.09 -2.70 -0.07 0.00 1.01 0.00 0.00 58.87 57.02 2dlv n SER 41 Cb 0.58 -0.34 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.71 0.88 -1.56 1.43 9.09 -1.85 -2.74 114.58 120.54 2dlv h GLU 42 Ca 0.00 -0.15 0.45 0.00 0.05 0.00 0.00 59.36 59.71 2dlv h GLU 42 Cb 0.97 -0.15 -0.06 0.00 -1.65 0.00 0.00 28.75 27.86 2dlv h GLU 42 CO 0.06 0.74 1.13 -0.85 0.05 0.00 0.00 179.01 180.13 2dlv n GLU 43 N -4.49 0.00 0.50 1.06 0.28 -1.26 0.57 120.64 117.30 2dlv n GLU 43 Ca 0.04 0.86 -0.20 0.00 -0.16 0.00 0.00 57.16 57.69 2dlv n GLU 43 Cb 0.15 -1.98 -0.10 0.00 1.43 0.00 0.00 31.44 30.94 2dlv n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dlv h ASN 44 N 0.00 -1.06 0.16 -1.84 4.21 -1.78 -2.99 115.58 112.28 2dlv h ASN 44 Ca 0.74 0.04 -0.20 0.00 1.21 0.00 0.00 56.30 58.09 2dlv h ASN 44 Cb 2.99 0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 40.46 2dlv h ASN 44 CO -0.01 -0.75 -0.75 -0.29 -1.29 0.00 0.00 177.43 174.34 2dlv h ILE 45 N -1.27 1.35 -0.93 2.81 6.09 -0.07 -3.24 117.51 122.26 2dlv h ILE 45 Ca -0.13 -2.11 0.27 0.00 -1.37 0.00 0.00 64.86 61.52 2dlv h ILE 45 Cb 0.96 2.10 -0.16 0.00 0.47 0.00 0.00 36.82 40.19 2dlv h ILE 45 CO 0.21 0.64 0.22 -0.33 -3.07 0.00 0.00 178.15 175.83 2dlv h GLU 46 N 0.34 0.12 -0.07 2.19 5.08 -0.98 0.14 114.58 121.40 2dlv h GLU 46 Ca -0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2dlv h GLU 46 Cb 1.35 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2dlv h GLU 46 CO 0.14 0.08 -0.09 0.35 -1.00 0.00 0.00 179.01 178.49 2dlv h PHE 47 N 0.12 0.21 -0.88 4.33 3.57 -1.55 -3.01 116.94 119.75 2dlv h PHE 47 Ca 0.61 -0.07 0.23 0.00 3.53 0.00 0.00 57.97 62.27 2dlv h PHE 47 Cb 1.31 -0.04 -0.15 0.00 2.79 0.00 0.00 35.95 39.86 2dlv h PHE 47 CO -0.29 0.65 0.09 2.35 -2.23 0.00 0.00 178.31 178.87 2dlv h TRP 48 N -0.28 0.08 -0.23 0.41 7.01 -0.79 0.18 115.95 122.33 2dlv h TRP 48 Ca 0.01 0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2dlv h TRP 48 Cb 0.62 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2dlv h TRP 48 CO 0.10 -0.30 0.06 0.82 -2.79 0.00 0.00 178.44 176.33 2dlv h ILE 49 N 0.10 1.21 -0.85 2.65 2.04 -1.37 -2.97 117.51 118.32 2dlv h ILE 49 Ca 0.52 -0.66 0.20 0.00 1.00 0.00 0.00 64.86 65.92 2dlv h ILE 49 Cb 1.03 1.22 -0.12 0.00 -0.74 0.00 0.00 36.82 38.21 2dlv h ILE 49 CO -0.75 0.21 0.33 0.00 0.00 0.00 0.00 178.15 177.94 2dlv h ALA 50 N 0.88 1.29 -0.11 1.87 0.00 -0.53 -1.55 119.26 121.11 2dlv h ALA 50 Ca 0.07 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2dlv h ALA 50 Cb 0.27 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2dlv h ALA 50 CO 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 179.25 178.51 2dlv h GLU 52 N -0.50 -0.43 -0.85 0.00 4.39 -1.34 0.51 114.58 116.37 2dlv h GLU 52 Ca 0.07 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.93 2dlv h GLU 52 Cb 0.63 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.29 2dlv h GLU 52 CO -0.38 -0.28 0.45 0.22 -1.16 0.00 0.00 179.01 177.85 2dlv h ASP 53 N -0.44 0.58 -0.55 1.42 3.58 -1.30 -0.97 116.42 118.74 2dlv h ASP 53 Ca 0.03 0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.62 2dlv h ASP 53 Cb 0.54 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 2dlv h ASP 53 CO -0.38 0.27 0.26 0.15 -2.88 0.00 0.00 179.24 176.66 2dlv h PHE 54 N 0.68 0.48 -0.52 0.28 3.57 0.92 -2.30 116.94 120.04 2dlv h PHE 54 Ca 0.45 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 2dlv h PHE 54 Cb 0.58 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2dlv h PHE 54 CO -0.08 0.21 0.24 0.87 -2.23 0.00 0.00 178.31 177.33 2dlv h LYS 55 N 0.50 0.75 -1.40 1.11 1.57 0.34 -2.66 116.57 116.79 2dlv h LYS 55 Ca 0.25 -0.12 0.48 0.00 -1.87 0.00 0.00 60.65 59.40 2dlv h LYS 55 Cb 0.19 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.22 2dlv h LYS 55 CO -0.19 0.63 0.90 0.87 -0.57 0.00 0.00 179.45 181.09 2dlv h LYS 56 N 0.70 0.00 -6.68 3.15 1.57 -0.73 -3.40 116.57 111.17 2dlv h LYS 56 Ca 0.18 -0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.38 2dlv h LYS 56 Cb 0.13 -0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.61 2dlv h LYS 56 CO -0.02 0.00 -0.08 0.43 -0.57 0.00 0.00 179.45 179.21 2dlv n SER 57 N -4.73 0.08 -0.01 0.86 7.64 -1.00 -4.94 113.62 111.51 2dlv n SER 57 Ca 0.41 0.80 -0.01 0.00 1.01 0.00 0.00 58.87 61.07 2dlv n SER 57 Cb 1.59 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2dlv n SER 57 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2dlv n LYS 58 N -0.53 3.09 -3.16 1.43 -0.00 -1.26 -5.02 118.16 112.70 2dlv n LYS 58 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.24 2dlv n LYS 58 Cb 0.47 -1.05 0.01 0.00 -0.00 0.00 0.00 35.03 34.45 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 -3.41 1.67 0.11 2.58 0.00 -1.26 -5.03 107.32 101.97 2dlv s GLY 59 Ca -0.01 -1.35 -0.14 0.00 0.00 0.00 0.00 44.72 43.21 2dlv s GLY 59 CO 0.08 -1.21 1.44 -0.56 0.00 0.00 0.00 173.10 172.85 2dlv h PRO 60 N 0.61 0.76 -0.95 2.90 0.13 -2.00 -3.25 132.00 130.19 2dlv h PRO 60 Ca -0.45 -0.39 0.11 0.00 -0.87 0.00 0.00 66.00 64.40 2dlv h PRO 60 Cb 1.26 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2dlv h PRO 60 CO 0.53 1.01 -0.52 0.37 -0.23 0.00 0.00 178.00 179.16 2dlv h GLN 61 N 0.52 -0.03 0.51 0.86 -0.00 -2.00 -0.49 115.11 114.49 2dlv h GLN 61 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 2dlv h GLN 61 Cb 0.86 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 2dlv h GLN 61 CO 0.07 -0.02 -0.42 1.96 0.00 0.00 0.00 178.83 180.42 2dlv h GLN 62 N -0.03 -0.88 -0.88 1.69 7.50 -1.99 -2.15 115.11 118.38 2dlv h GLN 62 Ca 0.21 0.06 0.13 0.00 0.50 0.00 0.00 58.65 59.55 2dlv h GLN 62 Cb 0.48 0.20 -0.14 0.00 0.05 0.00 0.00 27.48 28.07 2dlv h GLN 62 CO -0.93 -0.58 -0.36 -0.89 -1.50 0.00 0.00 178.83 174.57 2dlv n ILE 63 N -5.02 -0.48 0.05 2.54 5.41 -0.63 0.58 119.36 121.81 2dlv n ILE 63 Ca -0.11 2.07 -0.03 0.00 1.00 0.00 0.00 62.75 65.68 2dlv n ILE 63 Cb 0.40 -2.72 -0.02 0.00 -0.71 0.00 0.00 39.64 36.60 2dlv n ILE 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2dlv h HIS 64 N 0.00 -0.26 -0.04 1.39 3.86 -0.93 0.46 115.15 119.63 2dlv h HIS 64 Ca 0.29 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 2dlv h HIS 64 Cb 0.51 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 2dlv h HIS 64 CO -0.79 -0.12 -0.32 -0.07 0.86 0.00 0.00 177.93 177.48 2dlv h LEU 65 N -0.18 -1.02 -0.78 2.43 4.07 -0.59 -0.20 115.31 119.04 2dlv h LEU 65 Ca -0.01 0.12 0.18 0.00 0.08 0.00 0.00 57.88 58.25 2dlv h LEU 65 Cb 0.16 0.39 -0.13 0.00 1.08 0.00 0.00 40.66 42.16 2dlv h LEU 65 CO -0.01 -0.30 0.06 0.11 -1.08 0.00 0.00 178.44 177.21 2dlv h LYS 66 N -0.38 0.13 -0.50 1.13 1.57 0.10 0.13 116.57 118.76 2dlv h LYS 66 Ca 0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2dlv h LYS 66 Cb 0.42 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2dlv h LYS 66 CO -0.24 0.09 0.18 0.00 -0.57 0.00 0.00 179.45 178.91 2dlv h ALA 67 N 1.71 0.61 0.02 3.86 0.00 0.81 -1.60 119.26 124.68 2dlv h ALA 67 Ca 0.44 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2dlv h ALA 67 Cb 0.79 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2dlv h ALA 67 CO -0.65 -0.21 -0.08 -0.22 0.00 0.00 0.00 179.25 178.09 2dlv h LYS 68 N 0.37 -0.15 0.22 0.00 3.64 1.00 0.30 116.57 121.95 2dlv h LYS 68 Ca 0.24 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2dlv h LYS 68 Cb 0.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2dlv h LYS 68 CO -0.24 -0.10 -0.35 0.00 -2.27 0.00 0.00 179.45 176.49 2dlv h ALA 69 N 0.81 -0.95 -0.96 5.00 0.00 -0.88 0.75 119.26 123.03 2dlv h ALA 69 Ca 0.03 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2dlv h ALA 69 Cb 0.18 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2dlv h ALA 69 CO -0.07 -1.00 0.61 0.82 0.00 0.00 0.00 179.25 179.61 2dlv h ILE 70 N -0.61 0.99 0.66 0.00 2.04 -1.27 -0.37 117.51 118.95 2dlv h ILE 70 Ca -0.03 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2dlv h ILE 70 Cb 0.56 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2dlv h ILE 70 CO -0.12 0.18 -0.39 0.22 0.00 0.00 0.00 178.15 178.05 2dlv h TYR 71 N 1.00 -1.04 0.00 1.37 3.20 0.11 0.21 116.97 121.82 2dlv h TYR 71 Ca 0.44 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 2dlv h TYR 71 Cb 0.37 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2dlv h TYR 71 CO -0.00 -0.59 0.00 0.39 -1.64 0.00 0.00 178.16 176.32 2dlv n GLU 72 N -4.88 0.41 -0.05 1.82 1.02 0.21 -0.29 120.64 118.89 2dlv n GLU 72 Ca -0.12 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.00 2dlv n GLU 72 Cb 0.40 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2dlv n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dlv n LYS 73 N -1.03 0.28 -0.05 3.49 4.81 -0.17 -4.41 118.16 121.08 2dlv n LYS 73 Ca 0.10 0.27 -0.05 0.00 -0.87 0.00 0.00 58.31 57.75 2dlv n LYS 73 Cb 0.06 -1.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.93 2dlv n LYS 73 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2dlv n PHE 74 N -3.61 0.00 0.00 5.64 3.01 0.64 -2.38 117.46 120.76 2dlv n PHE 74 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2dlv n PHE 74 Cb 0.22 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2dlv n PHE 74 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2dlv n ILE 75 N -3.74 0.00 -0.78 4.37 2.08 -0.96 -3.38 119.36 116.93 2dlv n ILE 75 Ca -0.08 0.80 -0.33 0.00 0.56 0.00 0.00 62.75 63.70 2dlv n ILE 75 Cb 0.31 -1.10 0.13 0.00 -0.75 0.00 0.00 39.64 38.22 2dlv n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlv n GLN 76 N -1.95 -0.45 -0.06 0.38 10.64 0.61 -4.79 117.38 121.75 2dlv n GLN 76 Ca 0.00 -0.09 -0.12 0.00 -1.83 0.00 0.00 57.00 54.95 2dlv n GLN 76 Cb 0.00 -1.82 -0.14 0.00 -0.86 0.00 0.00 30.24 27.42 2dlv n GLN 76 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dlv n THR 77 N -3.68 1.54 0.70 -0.39 -1.04 -1.26 -4.11 114.28 106.03 2dlv n THR 77 Ca 0.06 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 2dlv n THR 77 Cb 0.55 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 2dlv n THR 77 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2dlv n ASP 78 N -3.02 0.46 -4.81 8.00 5.75 -1.26 -4.75 116.55 116.93 2dlv n ASP 78 Ca -0.29 -1.16 -0.25 0.00 -0.01 0.00 0.00 54.79 53.08 2dlv n ASP 78 Cb 1.08 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.89 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dlv s ALA 79 N -1.20 3.58 0.01 2.12 0.00 -1.26 -5.05 121.76 119.96 2dlv s ALA 79 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 2dlv s ALA 79 Cb 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 23.12 21.58 2dlv s ALA 79 CO 0.00 0.46 1.31 -1.00 0.00 0.00 0.00 175.76 176.53 2dlv h PRO 80 N 2.24 0.19 -0.76 0.00 0.13 -1.85 -3.03 132.00 128.93 2dlv h PRO 80 Ca -0.48 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2dlv h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dlv h PRO 80 CO 0.63 0.62 0.00 1.63 -0.23 0.00 0.00 178.00 180.65 2dlv n LYS 81 N -4.69 1.80 -1.69 0.86 4.76 -1.21 -4.91 118.16 113.07 2dlv n LYS 81 Ca -0.07 -0.70 -0.52 0.00 -2.87 0.00 0.00 58.31 54.14 2dlv n LYS 81 Cb 0.31 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 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 0.11 1.73 -3.41 1.97 0.00 -1.00 -4.30 120.64 115.74 2dlv n GLU 82 Ca 0.06 0.63 -0.22 0.00 0.00 0.00 0.00 57.16 57.63 2dlv n GLU 82 Cb 0.40 -2.42 0.02 0.00 0.00 0.00 0.00 31.44 29.44 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 3.99 2.10 -0.46 6.31 -7.23 -1.22 -4.99 120.40 118.91 2dlv s VAL 83 Ca 0.96 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 2dlv s VAL 83 Cb -0.85 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 33.79 2dlv s VAL 83 CO 0.58 0.00 0.78 0.21 -0.31 0.00 0.00 175.10 176.35 2dlv s ASN 84 N -4.43 6.39 0.38 4.85 2.47 -1.26 -4.90 114.94 118.44 2dlv s ASN 84 Ca 0.49 -0.20 0.08 0.00 0.42 0.00 0.00 52.86 53.65 2dlv s ASN 84 Cb -0.04 -2.38 -0.07 0.00 -1.45 0.00 0.00 41.25 37.30 2dlv s ASN 84 CO 0.31 -0.93 -0.02 -0.76 -3.72 0.00 0.00 177.10 171.97 2dlv s LEU 85 N 3.26 2.80 0.51 3.21 1.43 -1.26 -4.77 118.68 123.86 2dlv s LEU 85 Ca 0.28 -1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 51.86 2dlv s LEU 85 Cb -0.13 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2dlv s LEU 85 CO 0.22 -0.37 1.19 -0.62 0.23 0.00 0.00 176.35 176.99 2dlv s ASP 86 N -3.66 5.83 0.09 2.29 -1.08 -1.26 -4.83 116.67 114.04 2dlv s ASP 86 Ca 0.34 2.34 -0.24 0.00 -0.52 0.00 0.00 52.55 54.47 2dlv s ASP 86 Cb 0.07 -2.60 -0.09 0.00 -1.46 0.00 0.00 42.92 38.85 2dlv s ASP 86 CO 0.17 -1.15 1.40 0.15 0.52 0.00 0.00 175.17 176.26 2dlv h PHE 87 N 1.63 -1.20 0.90 -5.34 3.04 -2.00 0.20 116.94 114.17 2dlv h PHE 87 Ca -0.50 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.46 2dlv h PHE 87 Cb 1.26 0.55 0.01 0.00 2.56 0.00 0.00 35.95 40.33 2dlv h PHE 87 CO 0.51 -0.37 -0.43 1.25 -2.02 0.00 0.00 178.31 177.24 2dlv h HIS 88 N -0.36 -1.12 -1.17 0.41 2.76 -1.99 -2.18 115.15 111.50 2dlv h HIS 88 Ca 0.04 -0.03 0.44 0.00 -2.20 0.00 0.00 60.37 58.62 2dlv h HIS 88 Cb 0.46 0.37 -0.16 0.00 1.55 0.00 0.00 27.41 29.63 2dlv h HIS 88 CO -0.62 -0.70 0.70 1.15 -1.30 0.00 0.00 177.93 177.17 2dlv h THR 89 N -1.22 0.03 -0.12 6.26 2.02 -1.91 0.89 112.91 118.86 2dlv h THR 89 Ca -0.12 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2dlv h THR 89 Cb 0.93 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2dlv h THR 89 CO 0.20 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.52 2dlv h LYS 90 N 0.03 0.26 0.45 6.66 3.64 -0.30 -3.08 116.57 124.22 2dlv h LYS 90 Ca 0.86 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 60.09 2dlv h LYS 90 Cb 2.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.30 2dlv h LYS 90 CO -0.62 0.64 -0.21 1.49 -2.27 0.00 0.00 179.45 178.47 2dlv h GLU 91 N -0.12 -0.58 -0.77 1.90 4.57 0.11 -2.96 114.58 116.73 2dlv h GLU 91 Ca 0.02 0.04 0.20 0.00 -1.18 0.00 0.00 59.36 58.44 2dlv h GLU 91 Cb 0.57 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.15 2dlv h GLU 91 CO 0.02 -0.35 -0.04 1.55 -1.18 0.00 0.00 179.01 179.01 2dlv n VAL 92 N -5.18 -0.32 -0.16 0.32 3.14 0.19 0.20 118.33 116.51 2dlv n VAL 92 Ca -0.08 1.72 -0.09 0.00 -2.96 0.00 0.00 64.34 62.93 2dlv n VAL 92 Cb 0.25 -2.47 0.00 0.00 -1.06 0.00 0.00 33.84 30.56 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 1.23 -0.87 1.55 2.04 -1.59 0.89 117.51 120.77 2dlv h ILE 93 Ca 0.44 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.59 2dlv h ILE 93 Cb 0.85 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 2dlv h ILE 93 CO -0.75 0.29 0.52 0.74 0.00 0.00 0.00 178.15 178.95 2dlv h THR 94 N 0.62 0.94 0.00 -0.27 2.02 0.23 1.23 112.91 117.69 2dlv h THR 94 Ca 0.15 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 2dlv h THR 94 Cb 0.31 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 2dlv h THR 94 CO -0.00 0.16 -1.21 0.78 0.37 0.00 0.00 175.52 175.62 2dlv h ASN 95 N 0.87 0.00 -0.60 4.18 2.35 -1.03 -3.31 115.58 118.04 2dlv h ASN 95 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2dlv h ASN 95 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2dlv h ASN 95 CO -0.23 0.57 0.00 -1.20 -1.65 0.00 0.00 177.43 174.92 2dlv n SER 96 N -2.97 5.35 0.00 5.81 7.64 0.31 -4.37 113.62 125.38 2dlv n SER 96 Ca -0.07 -2.74 0.10 0.00 1.01 0.00 0.00 58.87 57.17 2dlv n SER 96 Cb 0.82 -0.64 0.57 0.00 -1.01 0.00 0.00 64.21 63.94 2dlv n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlv n ILE 97 N 0.81 0.16 -0.03 0.44 0.13 0.42 -1.90 119.36 119.38 2dlv n ILE 97 Ca 0.27 0.04 0.01 0.00 -1.10 0.00 0.00 62.75 61.97 2dlv n ILE 97 Cb 1.08 -0.72 -0.12 0.00 -0.84 0.00 0.00 39.64 39.04 2dlv n ILE 97 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2dlv n THR 98 N -1.11 0.42 -1.53 9.51 -2.24 -1.26 -4.50 114.28 113.56 2dlv n THR 98 Ca 0.13 -0.46 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 2dlv n THR 98 Cb 0.10 -0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.36 2dlv n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dlv n GLN 99 N -2.25 1.65 -2.20 -0.78 6.02 -1.04 -5.03 117.38 113.77 2dlv n GLN 99 Ca -0.12 -3.23 -0.42 0.00 -0.01 0.00 0.00 57.00 53.22 2dlv n GLN 99 Cb 0.64 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2dlv s PRO 100 N -3.22 4.33 0.48 -1.09 0.04 -0.80 -5.03 135.00 129.71 2dlv s PRO 100 Ca 0.39 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.54 2dlv s PRO 100 Cb 0.37 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2dlv s PRO 100 CO -0.05 -0.44 0.47 0.95 0.04 0.00 0.00 177.00 177.98 2dlv s THR 101 N 1.26 2.29 0.48 1.26 -4.23 -1.26 -4.77 115.64 110.68 2dlv s THR 101 Ca 0.64 -1.30 0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2dlv s THR 101 Cb -0.36 -2.59 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2dlv s THR 101 CO 0.30 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.40 2dlv h LEU 102 N 0.77 0.00 -2.57 4.79 3.38 -1.96 -0.63 115.31 119.09 2dlv h LEU 102 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2dlv h LEU 102 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2dlv h LEU 102 CO 0.53 0.10 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2dlv n HIS 103 N -4.12 1.26 -0.04 1.13 1.44 -1.26 -4.39 115.22 109.25 2dlv n HIS 103 Ca -0.03 -0.47 -0.01 0.00 -2.01 0.00 0.00 57.72 55.20 2dlv n HIS 103 Cb 0.19 -0.28 -0.00 0.00 0.12 0.00 0.00 29.99 30.01 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 2.94 0.00 -0.73 4.39 0.87 -1.49 -3.37 113.55 116.15 2dlv h SER 104 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2dlv h SER 104 Cb 1.31 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.22 2dlv h SER 104 CO 0.25 0.39 0.49 -0.26 -0.53 0.00 0.00 176.83 177.16 2dlv h PHE 105 N -0.66 0.58 -0.79 2.24 0.04 -1.77 -2.48 116.94 114.11 2dlv h PHE 105 Ca 0.00 0.02 0.20 0.00 2.80 0.00 0.00 57.97 60.99 2dlv h PHE 105 Cb 0.12 -0.19 -0.15 0.00 2.20 0.00 0.00 35.95 37.93 2dlv h PHE 105 CO -0.05 0.25 -0.03 -3.47 -0.60 0.00 0.00 178.31 174.41 2dlv n ASP 106 N -4.49 -0.14 0.31 2.17 2.03 -1.26 0.46 116.55 115.63 2dlv n ASP 106 Ca 0.13 1.35 -0.17 0.00 0.52 0.00 0.00 54.79 56.62 2dlv n ASP 106 Cb 0.42 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 2dlv n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dlv h ALA 107 N 1.58 -0.73 -0.98 -1.67 0.00 -1.65 -2.79 119.26 113.02 2dlv h ALA 107 Ca 0.46 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.29 2dlv h ALA 107 Cb 0.89 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2dlv h ALA 107 CO -0.76 -0.90 0.62 0.00 0.00 0.00 0.00 179.25 178.21 2dlv h ALA 108 N -0.30 1.41 -0.90 0.00 0.00 -0.14 -1.58 119.26 117.75 2dlv h ALA 108 Ca -0.08 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2dlv h ALA 108 Cb 0.57 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2dlv h ALA 108 CO 0.12 0.34 0.51 0.37 0.00 0.00 0.00 179.25 180.59 2dlv h GLN 109 N 1.08 0.73 -0.88 0.00 4.15 -0.34 -0.19 115.11 119.66 2dlv h GLN 109 Ca 0.45 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 2dlv h GLN 109 Cb 0.29 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2dlv h GLN 109 CO -0.21 0.49 0.53 1.03 -1.93 0.00 0.00 178.83 178.74 2dlv h SER 110 N 0.76 1.06 0.57 -0.69 0.87 -1.03 0.33 113.55 115.43 2dlv h SER 110 Ca 0.48 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 2dlv h SER 110 Cb 0.61 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2dlv h SER 110 CO -0.32 0.82 -0.28 -0.09 -0.53 0.00 0.00 176.83 176.43 2dlv h ARG 111 N 1.22 -0.74 0.15 2.24 9.65 -0.97 -2.75 114.38 123.17 2dlv h ARG 111 Ca 0.32 0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.24 2dlv h ARG 111 Cb -0.05 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2dlv h ARG 111 CO -0.06 -0.47 -0.07 0.28 2.80 0.00 0.00 179.97 182.45 2dlv h VAL 112 N -0.83 0.97 -0.96 0.20 2.07 -1.30 -2.38 116.25 114.03 2dlv h VAL 112 Ca -0.08 -0.54 0.27 0.00 0.82 0.00 0.00 66.70 67.17 2dlv h VAL 112 Cb 0.61 1.31 -0.18 0.00 -1.52 0.00 0.00 31.29 31.51 2dlv h VAL 112 CO 0.13 0.13 0.04 0.00 0.02 0.00 0.00 177.57 177.89 2dlv n TYR 113 N -5.06 0.63 -0.02 1.57 9.36 0.12 0.00 117.16 123.76 2dlv n TYR 113 Ca -0.09 1.16 -0.13 0.00 3.32 0.00 0.00 57.90 62.16 2dlv n TYR 113 Cb 0.20 -1.23 -0.10 0.00 -0.63 0.00 0.00 39.34 37.57 2dlv n TYR 113 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 2dlv h GLN 114 N 0.00 0.03 -1.15 2.98 1.08 -1.41 -2.77 115.11 113.87 2dlv h GLN 114 Ca 0.59 -0.02 0.42 0.00 -1.45 0.00 0.00 58.65 58.20 2dlv h GLN 114 Cb 1.24 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.52 2dlv h GLN 114 CO -0.90 0.56 0.69 -0.07 -0.95 0.00 0.00 178.83 178.16 2dlv h LEU 115 N -0.49 0.30 0.17 1.46 3.38 0.12 0.19 115.31 120.43 2dlv h LEU 115 Ca 0.00 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dlv h LEU 115 Cb 0.56 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dlv h LEU 115 CO 0.00 -0.30 -0.08 0.24 0.09 0.00 0.00 178.44 178.39 2dlv h MET 116 N 0.07 -0.22 0.00 1.13 2.86 -1.33 -3.25 114.93 114.19 2dlv h MET 116 Ca 0.83 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.49 2dlv h MET 116 Cb 2.37 0.05 0.00 0.00 0.06 0.00 0.00 31.60 34.08 2dlv h MET 116 CO -0.61 -0.14 0.47 1.49 1.06 0.00 0.00 176.91 179.18 2dlv h GLU 117 N -1.00 0.00 0.00 1.72 4.22 -0.85 0.18 114.58 118.85 2dlv h GLU 117 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2dlv h GLU 117 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dlv h GLU 117 CO 0.04 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.91 2dlv n GLN 118 N -2.41 0.00 -0.01 1.92 1.13 0.52 -4.41 117.38 114.12 2dlv n GLN 118 Ca -0.01 0.45 -0.02 0.00 -1.94 0.00 0.00 57.00 55.48 2dlv n GLN 118 Cb 0.49 -1.34 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2dlv n ASP 119 N -1.84 3.94 -0.28 1.08 5.68 -0.91 -4.45 116.55 119.77 2dlv n ASP 119 Ca 0.00 -0.01 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 2dlv n ASP 119 Cb 0.00 0.08 0.25 0.00 -1.14 0.00 0.00 41.12 40.31 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dlv h SER 120 N 0.00 0.21 0.43 -1.12 0.02 -0.92 0.53 113.55 112.71 2dlv h SER 120 Ca -0.06 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2dlv h SER 120 Cb 1.10 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dlv h SER 120 CO -0.01 0.00 -0.21 0.22 -1.14 0.00 0.00 176.83 175.70 2dlv h TYR 121 N 0.37 -0.53 -0.94 3.45 3.20 -1.32 -1.78 116.97 119.41 2dlv h TYR 121 Ca 0.49 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.62 2dlv h TYR 121 Cb 0.87 0.18 -0.16 0.00 1.54 0.00 0.00 36.73 39.16 2dlv h TYR 121 CO -0.19 -0.33 0.22 1.79 -1.64 0.00 0.00 178.16 178.01 2dlv h THR 122 N -1.12 0.16 -0.26 1.81 1.35 -1.68 0.36 112.91 113.55 2dlv h THR 122 Ca -0.06 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.67 2dlv h THR 122 Cb 0.44 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2dlv h THR 122 CO 0.10 0.02 -0.19 0.03 -0.25 0.00 0.00 175.52 175.23 2dlv h ARG 123 N 0.11 0.58 -1.08 4.72 3.08 -0.96 -3.06 114.38 117.77 2dlv h ARG 123 Ca 0.62 -0.28 0.29 0.00 0.07 0.00 0.00 59.98 60.68 2dlv h ARG 123 Cb 1.34 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.28 2dlv h ARG 123 CO -0.77 0.86 0.68 0.35 -1.07 0.00 0.00 179.97 180.03 2dlv h PHE 124 N 0.30 0.70 -0.38 3.04 3.57 0.63 0.67 116.94 125.47 2dlv h PHE 124 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2dlv h PHE 124 Cb 0.73 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2dlv h PHE 124 CO 0.07 0.00 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.07 2dlv h LEU 125 N 0.36 0.58 -2.70 0.59 3.38 -1.31 -2.00 115.31 114.22 2dlv h LEU 125 Ca 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2dlv h LEU 125 Cb 1.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2dlv h LEU 125 CO -0.36 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.12 2dlv n LYS 126 N -4.25 3.40 -3.67 1.13 5.02 0.22 -4.76 118.16 115.25 2dlv n LYS 126 Ca 0.02 -2.38 -0.37 0.00 -2.02 0.00 0.00 58.31 53.55 2dlv n LYS 126 Cb 0.27 -1.84 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 2dlv n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dlv s SER 127 N -0.79 6.60 0.24 4.39 1.04 -0.39 -4.99 113.70 119.80 2dlv s SER 127 Ca 0.42 0.71 -0.05 0.00 0.48 0.00 0.00 55.95 57.51 2dlv s SER 127 Cb 0.28 -2.17 0.38 0.00 0.10 0.00 0.00 66.02 64.62 2dlv s SER 127 CO 0.19 0.34 1.79 -0.78 0.98 0.00 0.00 173.24 175.76 2dlv h ASP 128 N 4.99 0.54 -0.36 7.02 3.58 -1.91 -2.52 116.42 127.76 2dlv h ASP 128 Ca -0.52 0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.05 2dlv h ASP 128 Cb 1.22 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.15 2dlv h ASP 128 CO 0.61 0.30 -0.46 0.40 -2.88 0.00 0.00 179.24 177.21 2dlv h ILE 129 N 0.66 0.09 -0.22 2.25 2.04 -1.94 0.56 117.51 120.96 2dlv h ILE 129 Ca 0.38 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 2dlv h ILE 129 Cb 0.41 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2dlv h ILE 129 CO -0.28 0.00 -0.16 0.22 0.00 0.00 0.00 178.15 177.94 2dlv h TYR 130 N -0.37 -0.39 0.00 1.37 3.20 -1.66 0.29 116.97 119.41 2dlv h TYR 130 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2dlv h TYR 130 Cb 0.60 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 2dlv h TYR 130 CO -0.62 -0.23 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.56 2dlv h LEU 131 N -0.15 0.00 0.20 2.82 3.38 -1.04 -2.94 115.31 117.59 2dlv h LEU 131 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2dlv h LEU 131 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dlv h LEU 131 CO -0.31 0.04 -0.10 -0.78 0.09 0.00 0.00 178.44 177.38 2dlv h ASP 132 N 0.00 -0.23 -1.18 -0.43 3.58 0.20 0.28 116.42 118.64 2dlv h ASP 132 Ca -0.00 -0.08 0.45 0.00 0.42 0.00 0.00 57.03 57.81 2dlv h ASP 132 Cb 0.08 0.06 -0.16 0.00 1.72 0.00 0.00 39.33 41.03 2dlv h ASP 132 CO 0.01 0.27 0.70 0.17 -2.88 0.00 0.00 179.24 177.51 2dlv h LEU 133 N -1.05 0.27 0.06 2.28 8.10 -0.40 0.60 115.31 125.18 2dlv h LEU 133 Ca -0.03 0.21 -0.34 0.00 0.11 0.00 0.00 57.88 57.84 2dlv h LEU 133 Cb 0.30 0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.70 2dlv h LEU 133 CO 0.05 -0.35 -1.91 1.15 -4.11 0.00 0.00 178.44 173.26 2dlv n MET 134 N -5.01 0.70 -3.94 0.17 0.00 -1.12 -4.98 117.12 102.94 2dlv n MET 134 Ca 0.39 0.26 -0.30 0.00 0.00 0.00 0.00 57.70 58.06 2dlv n MET 134 Cb 1.41 -1.73 0.02 0.00 0.00 0.00 0.00 33.22 32.92 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 -3.27 -3.73 -1.43 3.17 2.88 0.21 -4.60 113.62 106.87 2dlv n SER 135 Ca -0.26 -0.84 0.16 0.00 -1.33 0.00 0.00 58.87 56.60 2dlv n SER 135 Cb 1.05 -3.67 -0.09 0.00 -0.75 0.00 0.00 64.21 60.75 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 -1.65 -3.45 3.59 0.46 0.00 -1.25 -4.63 105.19 98.25 2dlv n GLY 136 Ca -0.03 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2dlv n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlv s PRO 137 N -4.39 3.18 0.18 1.61 0.04 -1.26 -4.88 135.00 129.48 2dlv s PRO 137 Ca 0.00 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 2dlv s PRO 137 Cb 0.00 -4.22 0.08 0.00 0.04 0.00 0.00 34.50 30.40 2dlv s PRO 137 CO 0.00 -2.05 1.77 0.77 0.04 0.00 0.00 177.00 177.53 2dlv h SER 138 N 13.05 0.77 0.81 6.66 0.02 -1.88 -3.19 113.55 129.80 2dlv h SER 138 Ca -0.30 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2dlv h SER 138 Cb 1.15 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.50 2dlv h SER 138 CO 1.09 0.67 -0.39 -1.28 -1.14 0.00 0.00 176.83 175.79 2dlv h SER 139 N 0.82 -0.92 0.00 3.07 0.87 -2.00 -3.56 113.55 111.83 2dlv h SER 139 Ca 0.21 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2dlv h SER 139 Cb 0.09 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2dlv h SER 139 CO -0.03 -0.57 0.00 0.61 -0.53 0.00 0.00 176.83 176.31