#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 4.50 0.23 1.61 0.01 -1.26 -4.99 113.70 113.81 2dlv s SER 2 Ca 0.00 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 2dlv s SER 2 Cb 0.00 0.01 0.40 0.00 0.21 0.00 0.00 66.02 66.64 2dlv s SER 2 CO 0.00 -1.75 1.66 0.77 0.41 0.00 0.00 173.24 174.33 2dlv h SER 3 N -0.39 -0.20 0.00 2.44 4.64 -2.13 -3.39 113.55 114.51 2dlv h SER 3 Ca -0.35 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2dlv h SER 3 Cb 1.27 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2dlv h SER 3 CO 0.41 -0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2dlv n GLY 4 N -1.38 -0.61 3.48 -0.77 0.00 -1.26 -5.10 105.19 99.56 2dlv n GLY 4 Ca 0.12 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.36 -0.61 0.24 1.61 1.04 -1.26 -4.82 113.70 108.54 2dlv s SER 5 Ca 0.00 0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.94 2dlv s SER 5 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2dlv s SER 5 CO 0.00 -0.74 0.01 -0.44 0.98 0.00 0.00 173.24 173.05 2dlv s SER 6 N -1.82 4.64 -1.45 7.02 0.01 -1.26 -4.64 113.70 116.21 2dlv s SER 6 Ca -0.06 -0.57 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 2dlv s SER 6 Cb -0.00 -0.91 0.04 0.00 0.21 0.00 0.00 66.02 65.36 2dlv s SER 6 CO 0.00 0.02 1.02 0.61 0.41 0.00 0.00 173.24 175.30 2dlv n GLY 7 N -0.74 -0.52 3.88 3.44 0.00 -1.26 -4.97 105.19 105.01 2dlv n GLY 7 Ca -0.07 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.22 6.46 0.00 1.61 0.15 -1.26 -4.56 113.70 112.89 2dlv s SER 8 Ca 0.58 0.53 0.15 0.00 0.70 0.00 0.00 55.95 57.91 2dlv s SER 8 Cb -0.27 -2.08 0.70 0.00 -1.71 0.00 0.00 66.02 62.65 2dlv s SER 8 CO 0.72 0.33 1.42 -0.81 1.20 0.00 0.00 173.24 176.10 2dlv n PRO 9 N 1.54 0.15 0.14 5.44 -0.04 -1.26 -2.74 135.00 138.24 2dlv n PRO 9 Ca -0.15 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 2dlv n PRO 9 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 2dlv n PRO 9 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2dlv h GLU 10 N 0.00 0.54 0.07 0.54 4.11 -1.99 -3.11 114.58 114.74 2dlv h GLU 10 Ca 0.00 -0.92 -0.14 0.00 0.07 0.00 0.00 59.36 58.37 2dlv h GLU 10 Cb 0.17 0.34 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dlv h GLU 10 CO 0.00 1.44 -0.59 0.93 0.07 0.00 0.00 179.01 180.86 2dlv h GLU 11 N 0.14 0.28 0.16 1.06 4.39 -1.94 -3.33 114.58 115.35 2dlv h GLU 11 Ca -0.26 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.06 2dlv h GLU 11 Cb 2.17 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.90 2dlv h GLU 11 CO 0.27 1.13 -0.44 0.00 -1.16 0.00 0.00 179.01 178.82 2dlv h ALA 12 N 0.17 -0.81 -1.13 3.43 0.00 -1.68 -0.38 119.26 118.85 2dlv h ALA 12 Ca -0.09 -0.09 0.40 0.00 0.00 0.00 0.00 54.91 55.13 2dlv h ALA 12 Cb 1.39 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 19.75 2dlv h ALA 12 CO 0.11 -1.02 0.67 -0.24 0.00 0.00 0.00 179.25 178.78 2dlv h VAL 13 N -0.70 0.12 -0.03 0.00 3.04 -1.69 0.48 116.25 117.47 2dlv h VAL 13 Ca 0.01 -0.04 -0.11 0.00 -1.01 0.00 0.00 66.70 65.55 2dlv h VAL 13 Cb 0.71 -0.00 0.01 0.00 -2.01 0.00 0.00 31.29 29.99 2dlv h VAL 13 CO -0.23 0.02 -0.43 0.11 -1.01 0.00 0.00 177.57 176.03 2dlv h LYS 14 N 0.11 0.34 -0.96 4.17 1.57 -1.35 -3.30 116.57 117.15 2dlv h LYS 14 Ca 0.81 -0.33 0.23 0.00 -1.87 0.00 0.00 60.65 59.50 2dlv h LYS 14 Cb 2.25 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 34.47 2dlv h LYS 14 CO -0.59 1.00 -0.07 -1.49 -0.57 0.00 0.00 179.45 177.73 2dlv h TRP 15 N -0.21 -0.21 -1.03 -1.35 6.55 0.16 0.83 115.95 120.69 2dlv h TRP 15 Ca -0.05 0.08 0.25 0.00 0.95 0.00 0.00 58.89 60.12 2dlv h TRP 15 Cb 1.13 0.25 -0.10 0.00 -0.86 0.00 0.00 29.16 29.58 2dlv h TRP 15 CO 0.15 -0.41 0.65 0.78 -1.05 0.00 0.00 178.44 178.56 2dlv h GLY 16 N 0.02 1.43 -0.75 1.49 0.00 -1.56 -1.74 103.07 101.95 2dlv h GLY 16 Ca 0.53 -0.24 0.20 0.00 0.00 0.00 0.00 47.33 47.82 2dlv h GLY 16 CO -0.92 -0.16 -0.02 1.18 0.00 0.00 0.00 176.54 176.63 2dlv n GLU 17 N -4.70 -0.06 -3.53 4.80 1.02 0.29 -4.57 120.64 113.89 2dlv n GLU 17 Ca 0.25 1.13 -0.13 0.00 -0.02 0.00 0.00 57.16 58.39 2dlv n GLU 17 Cb 0.82 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 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 -5.03 -0.48 0.13 1.62 0.01 -0.65 -5.05 113.70 104.25 2dlv s SER 18 Ca -0.10 0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 2dlv s SER 18 Cb 0.22 0.53 -0.00 0.00 0.21 0.00 0.00 66.02 66.98 2dlv s SER 18 CO 0.58 -0.80 1.68 0.15 0.41 0.00 0.00 173.24 175.26 2dlv h PHE 19 N 2.50 0.64 -0.60 2.43 3.57 -1.81 -2.93 116.94 120.75 2dlv h PHE 19 Ca -0.32 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.15 2dlv h PHE 19 Cb 1.24 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2dlv h PHE 19 CO 0.32 0.57 0.37 0.22 -2.23 0.00 0.00 178.31 177.55 2dlv h ASP 20 N 0.52 0.60 -0.84 0.41 3.58 -1.97 -2.36 116.42 116.37 2dlv h ASP 20 Ca 0.14 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.79 2dlv h ASP 20 Cb 0.21 -0.13 -0.12 0.00 1.72 0.00 0.00 39.33 41.01 2dlv h ASP 20 CO -0.01 0.42 0.29 0.11 -2.88 0.00 0.00 179.24 177.17 2dlv h LYS 21 N 0.73 0.31 0.77 0.28 1.79 -1.79 -1.95 116.57 116.71 2dlv h LYS 21 Ca 0.24 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 2dlv h LYS 21 Cb 0.01 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2dlv h LYS 21 CO -0.10 0.20 -0.37 1.25 -1.08 0.00 0.00 179.45 179.36 2dlv h LEU 22 N 0.32 -0.87 -0.96 2.94 5.85 -1.40 -3.07 115.31 118.11 2dlv h LEU 22 Ca 0.51 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.50 2dlv h LEU 22 Cb 0.95 0.23 -0.18 0.00 0.37 0.00 0.00 40.66 42.02 2dlv h LEU 22 CO -0.55 -0.58 -0.05 0.18 -0.34 0.00 0.00 178.44 177.10 2dlv n LEU 23 N -5.04 -0.18 -0.31 2.25 4.77 -0.84 0.14 117.00 117.80 2dlv n LEU 23 Ca -0.13 1.64 0.12 0.00 -0.03 0.00 0.00 56.01 57.61 2dlv n LEU 23 Cb 0.41 -0.57 0.29 0.00 -2.33 0.00 0.00 43.42 41.21 2dlv n LEU 23 CO 0.31 -1.64 1.07 -1.28 -1.33 0.00 0.00 177.39 174.52 2dlv h SER 24 N 0.00 0.42 -3.56 -1.43 0.87 -1.28 -3.40 113.55 105.17 2dlv h SER 24 Ca 0.55 0.13 -0.52 0.00 -1.23 0.00 0.00 61.79 60.73 2dlv h SER 24 Cb 1.07 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2dlv h SER 24 CO -0.93 0.08 0.43 -2.28 -0.53 0.00 0.00 176.83 173.60 2dlv s HIS 25 N -5.90 3.69 0.01 2.24 5.65 0.36 -4.99 115.29 116.35 2dlv s HIS 25 Ca -0.12 1.68 -0.22 0.00 0.25 0.00 0.00 55.06 56.65 2dlv s HIS 25 Cb 0.24 -3.18 -0.12 0.00 -1.18 0.00 0.00 32.58 28.34 2dlv s HIS 25 CO 0.78 -0.28 1.07 -0.09 -0.65 0.00 0.00 174.74 175.58 2dlv h ARG 26 N 5.31 -0.76 -0.71 2.88 9.65 -1.81 -1.95 114.38 126.99 2dlv h ARG 26 Ca -0.44 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 58.63 2dlv h ARG 26 Cb 1.21 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.87 2dlv h ARG 26 CO 0.72 -0.51 0.24 0.22 2.80 0.00 0.00 179.97 183.45 2dlv h ASP 27 N -0.98 0.17 -0.30 -3.80 3.58 -1.94 -1.48 116.42 111.67 2dlv h ASP 27 Ca -0.08 0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.52 2dlv h ASP 27 Cb 0.60 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 2dlv h ASP 27 CO 0.13 0.06 0.08 1.23 -2.88 0.00 0.00 179.24 177.86 2dlv h GLY 28 N 0.37 0.36 0.72 -0.78 0.00 -1.82 -2.38 103.07 99.54 2dlv h GLY 28 Ca 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2dlv h GLY 28 CO -0.42 0.00 -0.44 -2.00 0.00 0.00 0.00 176.54 173.68 2dlv h LEU 29 N 0.19 -1.14 -0.73 3.11 5.85 -0.48 -2.26 115.31 119.85 2dlv h LEU 29 Ca 0.14 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.04 2dlv h LEU 29 Cb 0.13 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 2dlv h LEU 29 CO -0.17 -0.64 -0.43 -0.33 -0.34 0.00 0.00 178.44 176.53 2dlv h GLU 30 N -1.00 -0.13 -0.95 1.25 4.39 -1.27 0.41 114.58 117.29 2dlv h GLU 30 Ca -0.07 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.82 2dlv h GLU 30 Cb 0.83 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.41 2dlv h GLU 30 CO 0.03 -0.09 0.53 0.00 -1.16 0.00 0.00 179.01 178.32 2dlv h ALA 31 N 0.83 1.53 -0.08 3.43 0.00 -1.28 -1.07 119.26 122.61 2dlv h ALA 31 Ca 0.22 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dlv h ALA 31 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dlv h ALA 31 CO -0.79 -0.10 0.03 0.35 0.00 0.00 0.00 179.25 178.74 2dlv h PHE 32 N 0.68 0.13 -0.68 0.00 3.57 0.35 -2.96 116.94 118.03 2dlv h PHE 32 Ca 0.54 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.13 2dlv h PHE 32 Cb 0.85 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 2dlv h PHE 32 CO -0.05 0.24 0.30 1.15 -2.23 0.00 0.00 178.31 177.72 2dlv h THR 33 N -0.02 0.80 -0.15 4.41 2.02 0.12 -2.35 112.91 117.75 2dlv h THR 33 Ca 0.03 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.08 2dlv h THR 33 Cb 0.16 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 2dlv h THR 33 CO -0.00 0.09 -0.29 0.03 0.37 0.00 0.00 175.52 175.73 2dlv h ARG 34 N 0.52 -0.33 -0.94 6.66 3.08 -1.18 0.67 114.38 122.85 2dlv h ARG 34 Ca 0.34 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.67 2dlv h ARG 34 Cb 0.40 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 30.38 2dlv h ARG 34 CO -0.29 -0.22 0.44 0.35 -1.07 0.00 0.00 179.97 179.17 2dlv h PHE 35 N -0.35 0.72 -0.18 3.04 3.57 -1.29 0.13 116.94 122.59 2dlv h PHE 35 Ca 0.10 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 2dlv h PHE 35 Cb 0.51 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2dlv h PHE 35 CO -0.39 -0.11 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.09 2dlv h LEU 36 N 0.35 0.67 -0.84 0.59 3.38 -1.07 -3.23 115.31 115.16 2dlv h LEU 36 Ca 0.63 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 58.23 2dlv h LEU 36 Cb 1.29 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 2dlv h LEU 36 CO -0.58 1.12 0.06 0.11 0.09 0.00 0.00 178.44 179.24 2dlv h LYS 37 N 0.25 0.10 -0.98 1.13 1.57 0.15 0.53 116.57 119.33 2dlv h LYS 37 Ca -0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2dlv h LYS 37 Cb 1.03 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 2dlv h LYS 37 CO 0.09 0.07 0.63 1.79 -0.57 0.00 0.00 179.45 181.46 2dlv h THR 38 N 0.11 1.08 -0.41 -0.16 1.35 -1.48 0.42 112.91 113.81 2dlv h THR 38 Ca 0.48 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2dlv h THR 38 Cb 0.91 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2dlv h THR 38 CO -0.72 0.21 0.00 -0.62 -0.25 0.00 0.00 175.52 174.14 2dlv n GLU 39 N -4.52 2.48 -3.05 4.72 -0.58 0.16 -4.90 120.64 114.96 2dlv n GLU 39 Ca 0.15 -1.69 -0.20 0.00 -0.42 0.00 0.00 57.16 55.00 2dlv n GLU 39 Cb 0.19 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 0.64 -1.72 -0.74 -0.32 3.72 0.31 -4.82 117.46 114.53 2dlv n PHE 40 Ca 0.15 0.35 0.07 0.00 -0.05 0.00 0.00 57.45 57.98 2dlv n PHE 40 Cb 0.53 -3.19 0.14 0.00 -0.94 0.00 0.00 39.48 36.02 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 -2.20 2.72 -0.30 4.37 7.64 -0.30 -4.68 113.62 120.87 2dlv n SER 41 Ca -0.07 -2.74 -0.05 0.00 1.01 0.00 0.00 58.87 57.02 2dlv n SER 41 Cb 0.58 -0.35 0.07 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.67 1.17 -1.32 1.43 -0.00 -1.84 -2.64 114.58 112.05 2dlv h GLU 42 Ca 0.00 -0.18 0.45 0.00 -0.00 0.00 0.00 59.36 59.63 2dlv h GLU 42 Cb 0.98 -0.21 -0.14 0.00 -0.00 0.00 0.00 28.75 29.38 2dlv h GLU 42 CO 0.06 0.91 0.84 1.05 -0.00 0.00 0.00 179.01 181.86 2dlv h GLU 43 N 1.16 0.05 0.01 1.06 4.11 -1.90 0.36 114.58 119.42 2dlv h GLU 43 Ca 0.28 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.74 2dlv h GLU 43 Cb 0.13 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2dlv h GLU 43 CO -0.03 0.03 -0.29 -0.91 0.07 0.00 0.00 179.01 177.88 2dlv h ASN 44 N 0.05 -0.85 0.29 3.06 4.21 -1.76 -2.37 115.58 118.21 2dlv h ASN 44 Ca 0.85 0.11 -0.16 0.00 1.21 0.00 0.00 56.30 58.31 2dlv h ASN 44 Cb 2.64 0.34 -0.01 0.00 -1.12 0.00 0.00 38.32 40.18 2dlv h ASN 44 CO -0.47 -0.35 -0.65 -0.29 -1.29 0.00 0.00 177.43 174.37 2dlv h ILE 45 N -0.44 1.38 -0.79 2.81 6.09 -0.56 -3.22 117.51 122.78 2dlv h ILE 45 Ca 0.06 -2.05 0.19 0.00 -1.37 0.00 0.00 64.86 61.69 2dlv h ILE 45 Cb 0.52 2.03 -0.13 0.00 0.47 0.00 0.00 36.82 39.72 2dlv h ILE 45 CO -0.24 0.61 0.12 -0.33 -3.07 0.00 0.00 178.15 175.24 2dlv h GLU 46 N 0.24 0.18 -0.04 2.19 5.08 -0.55 -0.50 114.58 121.17 2dlv h GLU 46 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2dlv h GLU 46 Cb 1.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2dlv h GLU 46 CO 0.11 0.12 0.01 0.35 -1.00 0.00 0.00 179.01 178.60 2dlv h PHE 47 N 0.18 0.06 -0.90 4.33 3.57 -1.48 -2.51 116.94 120.19 2dlv h PHE 47 Ca 0.45 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.14 2dlv h PHE 47 Cb 0.83 -0.02 -0.17 0.00 2.79 0.00 0.00 35.95 39.38 2dlv h PHE 47 CO -0.33 0.23 -0.15 2.35 -2.23 0.00 0.00 178.31 178.18 2dlv h TRP 48 N -0.12 -0.35 -0.47 0.41 7.01 -1.16 0.40 115.95 121.67 2dlv h TRP 48 Ca 0.01 0.08 -0.08 0.00 2.11 0.00 0.00 58.89 61.01 2dlv h TRP 48 Cb 0.20 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2dlv h TRP 48 CO -0.01 -0.38 -0.00 0.82 -2.79 0.00 0.00 178.44 176.08 2dlv h ILE 49 N 0.01 1.26 -0.37 2.65 2.04 -1.35 -2.63 117.51 119.12 2dlv h ILE 49 Ca 0.46 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.37 2dlv h ILE 49 Cb 0.77 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2dlv h ILE 49 CO -0.90 0.37 0.31 0.00 0.00 0.00 0.00 178.15 177.94 2dlv h ALA 50 N 0.92 2.21 0.03 1.87 0.00 0.20 -1.87 119.26 122.62 2dlv h ALA 50 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dlv h ALA 50 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dlv h ALA 50 CO 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 2dlv h GLU 52 N -0.15 0.02 0.09 0.00 -0.00 -1.40 1.09 114.58 114.24 2dlv h GLU 52 Ca -0.00 -0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.05 2dlv h GLU 52 Cb 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.76 2dlv h GLU 52 CO 0.01 0.02 -1.60 0.22 -0.00 0.00 0.00 179.01 177.66 2dlv h ASP 53 N 0.03 0.30 -0.95 3.06 3.58 -1.42 -3.31 116.42 117.70 2dlv h ASP 53 Ca 0.78 -0.46 0.05 0.00 0.42 0.00 0.00 57.03 57.81 2dlv h ASP 53 Cb 2.99 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 43.89 2dlv h ASP 53 CO -0.07 1.39 0.62 0.15 -2.88 0.00 0.00 179.24 178.45 2dlv h PHE 54 N 0.05 1.13 -0.32 0.28 3.57 0.38 -2.35 116.94 119.68 2dlv h PHE 54 Ca -0.26 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 2dlv h PHE 54 Cb 2.00 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.35 2dlv h PHE 54 CO 0.05 0.62 0.07 0.87 -2.23 0.00 0.00 178.31 177.69 2dlv h LYS 55 N 1.14 0.52 -1.51 1.11 1.57 -1.45 -2.81 116.57 115.15 2dlv h LYS 55 Ca 0.39 -0.13 0.49 0.00 -1.87 0.00 0.00 60.65 59.53 2dlv h LYS 55 Cb 0.10 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.22 2dlv h LYS 55 CO -0.14 0.60 1.01 0.87 -0.57 0.00 0.00 179.45 181.21 2dlv h LYS 56 N 0.36 0.02 -6.82 3.15 1.57 -1.51 -3.40 116.57 109.95 2dlv h LYS 56 Ca 0.10 -0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.40 2dlv h LYS 56 Cb 0.32 -0.01 0.22 0.00 0.08 0.00 0.00 32.23 32.85 2dlv h LYS 56 CO 0.00 0.02 -0.69 0.43 -0.57 0.00 0.00 179.45 178.64 2dlv n SER 57 N -4.53 -2.02 -3.71 0.86 7.64 -1.06 -5.03 113.62 105.77 2dlv n SER 57 Ca 0.40 0.03 -0.15 0.00 1.01 0.00 0.00 58.87 60.16 2dlv n SER 57 Cb 1.64 -1.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.58 2dlv n SER 57 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dlv s LYS 58 N -3.73 0.06 0.00 1.43 -2.85 -1.26 -5.01 119.74 108.37 2dlv s LYS 58 Ca 0.59 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 2dlv s LYS 58 Cb -0.17 -0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 2dlv s LYS 58 CO 0.66 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.28 2dlv n GLY 59 N 4.78 2.19 0.23 0.59 0.00 -1.26 -4.62 105.19 107.09 2dlv n GLY 59 Ca -0.15 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 2dlv n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlv h PRO 60 N 0.00 0.56 0.00 1.61 0.13 -1.99 -3.09 132.00 129.23 2dlv h PRO 60 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dlv h PRO 60 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dlv h PRO 60 CO 0.00 0.88 -0.02 0.37 -0.23 0.00 0.00 178.00 179.01 2dlv h GLN 61 N 0.46 -0.02 -0.12 0.86 -0.00 -1.99 0.25 115.11 114.53 2dlv h GLN 61 Ca 0.04 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.72 2dlv h GLN 61 Cb 0.93 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.35 2dlv h GLN 61 CO 0.08 -0.02 -0.48 0.37 0.00 0.00 0.00 178.83 178.78 2dlv h GLN 62 N -0.02 -0.53 -0.77 1.69 5.75 -1.82 -1.19 115.11 118.22 2dlv h GLN 62 Ca -0.00 0.04 0.16 0.00 -0.15 0.00 0.00 58.65 58.70 2dlv h GLN 62 Cb 0.02 0.12 -0.14 0.00 1.07 0.00 0.00 27.48 28.55 2dlv h GLN 62 CO -0.01 -0.35 -0.11 0.82 -2.65 0.00 0.00 178.83 176.53 2dlv h ILE 63 N -0.55 0.27 0.34 2.39 2.04 -1.46 0.24 117.51 120.78 2dlv h ILE 63 Ca 0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2dlv h ILE 63 Cb 0.66 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2dlv h ILE 63 CO -0.41 0.01 -0.25 0.45 0.00 0.00 0.00 178.15 177.94 2dlv h HIS 64 N 0.04 -0.68 0.00 1.37 3.86 0.52 0.46 115.15 120.72 2dlv h HIS 64 Ca 0.39 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.62 2dlv h HIS 64 Cb 0.65 0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.33 2dlv h HIS 64 CO -0.53 -0.36 -0.40 -0.07 0.86 0.00 0.00 177.93 177.43 2dlv h LEU 65 N -0.57 -1.25 -0.70 2.43 4.07 -0.63 -1.24 115.31 117.43 2dlv h LEU 65 Ca -0.05 0.14 0.15 0.00 0.08 0.00 0.00 57.88 58.20 2dlv h LEU 65 Cb 0.47 0.47 -0.11 0.00 1.08 0.00 0.00 40.66 42.57 2dlv h LEU 65 CO 0.02 -0.39 0.14 0.11 -1.08 0.00 0.00 178.44 177.24 2dlv h LYS 66 N -0.51 0.24 -0.19 1.13 1.57 -0.58 -1.46 116.57 116.77 2dlv h LYS 66 Ca 0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2dlv h LYS 66 Cb 0.54 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 2dlv h LYS 66 CO -0.27 0.16 -0.32 0.00 -0.57 0.00 0.00 179.45 178.45 2dlv h ALA 67 N 1.59 -0.32 0.02 3.86 0.00 0.73 -0.27 119.26 124.87 2dlv h ALA 67 Ca 0.39 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2dlv h ALA 67 Cb 0.65 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2dlv h ALA 67 CO -0.50 -0.78 -0.29 -0.22 0.00 0.00 0.00 179.25 177.46 2dlv h LYS 68 N -0.36 -0.44 0.03 0.00 3.64 -0.23 0.41 116.57 119.62 2dlv h LYS 68 Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2dlv h LYS 68 Cb 0.54 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2dlv h LYS 68 CO -0.39 -0.29 -0.17 0.00 -2.27 0.00 0.00 179.45 176.32 2dlv h ALA 69 N 0.30 -0.69 -0.91 5.00 0.00 -0.92 0.22 119.26 122.25 2dlv h ALA 69 Ca 0.06 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2dlv h ALA 69 Cb 0.53 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 2dlv h ALA 69 CO -0.24 -0.73 0.50 0.82 0.00 0.00 0.00 179.25 179.60 2dlv h ILE 70 N -0.24 0.71 0.72 0.00 2.04 -0.99 0.94 117.51 120.69 2dlv h ILE 70 Ca -0.00 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2dlv h ILE 70 Cb 0.24 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2dlv h ILE 70 CO -0.10 0.12 -0.43 0.22 0.00 0.00 0.00 178.15 177.96 2dlv h TYR 71 N 0.67 -1.15 0.00 1.37 3.20 0.43 0.19 116.97 121.68 2dlv h TYR 71 Ca 0.51 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.37 2dlv h TYR 71 Cb 0.77 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2dlv h TYR 71 CO -0.06 -0.65 0.00 0.39 -1.64 0.00 0.00 178.16 176.20 2dlv n GLU 72 N -5.17 0.45 -0.01 1.82 1.02 0.73 -0.01 120.64 119.47 2dlv n GLU 72 Ca -0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.00 2dlv n GLU 72 Cb 0.45 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.01 0.06 -0.06 3.49 4.81 0.28 -4.47 118.16 121.27 2dlv n LYS 73 Ca 0.11 0.11 -0.05 0.00 -0.87 0.00 0.00 58.31 57.61 2dlv n LYS 73 Cb 0.05 -0.69 -0.02 0.00 0.02 0.00 0.00 35.03 34.39 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 -2.66 0.13 0.00 5.64 3.72 0.58 -2.09 117.46 122.78 2dlv n PHE 74 Ca -0.01 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2dlv n PHE 74 Cb 0.05 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 2dlv n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dlv n ILE 75 N -3.79 0.00 -1.13 4.37 2.08 -1.05 -2.83 119.36 117.01 2dlv n ILE 75 Ca -0.08 0.80 -0.35 0.00 0.56 0.00 0.00 62.75 63.67 2dlv n ILE 75 Cb 0.31 -1.10 0.09 0.00 -0.75 0.00 0.00 39.64 38.19 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 -1.93 0.15 -0.03 0.38 10.64 0.98 -4.71 117.38 122.87 2dlv n GLN 76 Ca 0.00 0.10 -0.13 0.00 -1.83 0.00 0.00 57.00 55.14 2dlv n GLN 76 Cb 0.00 -1.93 -0.14 0.00 -0.86 0.00 0.00 30.24 27.31 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 -2.81 1.62 0.67 -0.39 -1.04 -1.26 -4.00 114.28 107.07 2dlv n THR 77 Ca 0.10 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2dlv n THR 77 Cb 0.51 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 2dlv n THR 77 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2dlv n ASP 78 N -3.14 0.44 -4.88 8.00 9.92 -1.26 -4.73 116.55 120.91 2dlv n ASP 78 Ca -0.24 -1.11 -0.24 0.00 -0.53 0.00 0.00 54.79 52.67 2dlv n ASP 78 Cb 1.06 -0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 41.28 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dlv s ALA 79 N -1.20 3.76 0.19 2.24 0.00 -1.26 -5.03 121.76 120.46 2dlv s ALA 79 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 2dlv s ALA 79 Cb 0.00 -1.54 0.11 0.00 0.00 0.00 0.00 23.12 21.69 2dlv s ALA 79 CO 0.00 0.39 1.54 -1.00 0.00 0.00 0.00 175.76 176.69 2dlv h PRO 80 N 1.83 0.70 -0.59 0.00 0.13 -1.85 -3.01 132.00 129.21 2dlv h PRO 80 Ca -0.49 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2dlv h PRO 80 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dlv h PRO 80 CO 0.63 0.98 0.00 1.63 -0.23 0.00 0.00 178.00 181.02 2dlv n LYS 81 N -4.03 4.35 -1.67 0.86 4.76 -1.22 -4.99 118.16 116.22 2dlv n LYS 81 Ca -0.02 -3.04 -0.51 0.00 -2.87 0.00 0.00 58.31 51.87 2dlv n LYS 81 Cb 0.54 -2.10 -0.05 0.00 -1.84 0.00 0.00 35.03 31.57 2dlv n LYS 81 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2dlv n GLU 82 N 0.77 1.71 -3.43 1.97 -0.00 -0.89 -4.29 120.64 116.49 2dlv n GLU 82 Ca 0.27 0.62 -0.23 0.00 -0.00 0.00 0.00 57.16 57.82 2dlv n GLU 82 Cb 1.06 -2.37 0.04 0.00 -0.00 0.00 0.00 31.44 30.17 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 2.50 1.80 -0.47 3.84 -7.23 -1.13 -4.97 120.40 114.75 2dlv s VAL 83 Ca 0.89 -1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 59.62 2dlv s VAL 83 Cb -0.84 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.11 2dlv s VAL 83 CO 0.51 0.00 0.73 0.20 -0.31 0.00 0.00 175.10 176.23 2dlv s ASN 84 N -4.53 6.34 0.16 4.85 0.01 -1.26 -4.89 114.94 115.62 2dlv s ASN 84 Ca 0.49 -0.36 0.10 0.00 -0.71 0.00 0.00 52.86 52.38 2dlv s ASN 84 Cb -0.04 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2dlv s ASN 84 CO 0.31 -0.91 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.00 2dlv s LEU 85 N 3.12 2.40 0.45 0.60 1.43 -1.26 -4.78 118.68 120.64 2dlv s LEU 85 Ca 0.25 -0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2dlv s LEU 85 Cb -0.14 -1.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.93 2dlv s LEU 85 CO 0.19 0.09 1.39 -0.62 0.23 0.00 0.00 176.35 177.63 2dlv s ASP 86 N -2.46 5.92 0.12 2.29 -1.08 -1.26 -4.75 116.67 115.44 2dlv s ASP 86 Ca 0.17 2.84 -0.30 0.00 -0.52 0.00 0.00 52.55 54.73 2dlv s ASP 86 Cb -0.08 -2.65 -0.10 0.00 -1.46 0.00 0.00 42.92 38.63 2dlv s ASP 86 CO 0.08 -1.14 1.50 0.15 0.52 0.00 0.00 175.17 176.28 2dlv h PHE 87 N 2.31 -1.56 0.15 -5.34 3.57 -1.99 0.63 116.94 114.71 2dlv h PHE 87 Ca -0.51 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2dlv h PHE 87 Cb 1.26 0.73 -0.02 0.00 2.79 0.00 0.00 35.95 40.71 2dlv h PHE 87 CO 0.50 -0.45 -0.30 1.25 -2.23 0.00 0.00 178.31 177.09 2dlv h HIS 88 N -0.37 -0.86 -0.96 0.41 2.76 -1.99 0.13 115.15 114.28 2dlv h HIS 88 Ca 0.06 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.51 2dlv h HIS 88 Cb 0.54 0.35 -0.13 0.00 1.55 0.00 0.00 27.41 29.73 2dlv h HIS 88 CO -0.71 -0.36 0.49 1.15 -1.30 0.00 0.00 177.93 177.20 2dlv h THR 89 N -0.49 0.44 0.11 6.26 2.02 -1.87 0.47 112.91 119.85 2dlv h THR 89 Ca -0.02 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2dlv h THR 89 Cb 0.46 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2dlv h THR 89 CO -0.12 0.08 -0.05 0.50 0.37 0.00 0.00 175.52 176.30 2dlv h LYS 90 N 0.43 -0.14 0.71 6.66 3.64 0.97 -2.89 116.57 125.95 2dlv h LYS 90 Ca 0.63 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.99 2dlv h LYS 90 Cb 1.28 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2dlv h LYS 90 CO -0.54 0.05 -0.34 1.49 -2.27 0.00 0.00 179.45 177.84 2dlv h GLU 91 N -0.31 -0.91 -0.73 1.90 4.57 0.12 -2.68 114.58 116.54 2dlv h GLU 91 Ca -0.01 0.06 0.20 0.00 -1.18 0.00 0.00 59.36 58.43 2dlv h GLU 91 Cb 0.26 0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 28.92 2dlv h GLU 91 CO 0.02 -0.61 0.01 0.28 -1.18 0.00 0.00 179.01 177.53 2dlv n VAL 92 N -5.22 -0.31 0.11 0.32 0.31 0.15 0.91 118.33 114.60 2dlv n VAL 92 Ca -0.12 1.60 -0.13 0.00 -0.01 0.00 0.00 64.34 65.68 2dlv n VAL 92 Cb 0.37 -2.34 -0.08 0.00 -0.91 0.00 0.00 33.84 30.88 2dlv n VAL 92 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dlv h ILE 93 N 0.00 0.88 -0.88 2.52 2.04 -1.47 0.68 117.51 121.29 2dlv h ILE 93 Ca 0.44 -0.50 0.23 0.00 1.00 0.00 0.00 64.86 66.03 2dlv h ILE 93 Cb 0.90 1.18 -0.14 0.00 -0.74 0.00 0.00 36.82 38.01 2dlv h ILE 93 CO -0.69 0.11 0.24 0.74 0.00 0.00 0.00 178.15 178.56 2dlv h THR 94 N -0.52 0.33 0.10 -0.27 2.02 0.88 1.06 112.91 116.50 2dlv h THR 94 Ca -0.03 -0.07 -0.29 0.00 0.77 0.00 0.00 66.41 66.79 2dlv h THR 94 Cb 0.39 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2dlv h THR 94 CO 0.05 0.04 -1.43 0.78 0.37 0.00 0.00 175.52 175.33 2dlv h ASN 95 N 0.22 0.31 -0.25 4.18 2.35 -1.20 -3.27 115.58 117.91 2dlv h ASN 95 Ca 0.55 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2dlv h ASN 95 Cb 1.10 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2dlv h ASN 95 CO -0.65 1.34 0.00 -1.20 -1.65 0.00 0.00 177.43 175.27 2dlv n SER 96 N -3.42 2.72 0.00 5.81 7.64 0.24 -4.06 113.62 122.55 2dlv n SER 96 Ca -0.13 -2.31 0.08 0.00 1.01 0.00 0.00 58.87 57.52 2dlv n SER 96 Cb 1.03 -0.50 0.35 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.29 0.87 -0.02 0.44 0.13 0.34 -1.54 119.36 119.88 2dlv n ILE 97 Ca 0.11 0.22 0.07 0.00 -1.10 0.00 0.00 62.75 62.05 2dlv n ILE 97 Cb 0.57 -0.94 -0.14 0.00 -0.84 0.00 0.00 39.64 38.30 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 -1.51 0.13 -1.53 9.51 5.66 -1.26 -4.44 114.28 120.85 2dlv n THR 98 Ca 0.04 -0.44 0.04 0.00 -3.05 0.00 0.00 64.05 60.63 2dlv n THR 98 Cb 0.19 0.01 0.20 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.18 1.65 -2.21 1.09 10.64 -1.01 -5.05 117.38 120.31 2dlv n GLN 99 Ca -0.06 -3.23 -0.42 0.00 -1.83 0.00 0.00 57.00 51.46 2dlv n GLN 99 Cb 0.53 -1.67 -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 -3.22 4.36 0.55 2.61 0.04 -0.59 -5.04 135.00 133.72 2dlv s PRO 100 Ca 0.39 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.54 2dlv s PRO 100 Cb 0.37 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.73 2dlv s PRO 100 CO -0.05 -0.33 0.43 0.95 0.04 0.00 0.00 177.00 178.04 2dlv s THR 101 N 0.57 1.65 0.19 1.26 -4.23 -1.26 -4.82 115.64 109.00 2dlv s THR 101 Ca 0.60 -1.47 0.35 0.00 -1.18 0.00 0.00 61.69 59.99 2dlv s THR 101 Cb -0.36 -2.11 0.38 0.00 1.34 0.00 0.00 72.50 71.74 2dlv s THR 101 CO 0.34 0.00 2.06 -0.07 -0.54 0.00 0.00 174.62 176.41 2dlv h LEU 102 N 0.71 0.00 -3.25 4.79 3.38 -1.95 -1.52 115.31 117.46 2dlv h LEU 102 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 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 0.56 0.00 0.00 1.41 0.09 0.00 0.00 178.44 180.50 2dlv n HIS 103 N -2.93 1.26 0.01 1.13 8.25 -1.26 -4.57 115.22 117.12 2dlv n HIS 103 Ca -0.01 -0.73 -0.09 0.00 -0.26 0.00 0.00 57.72 56.63 2dlv n HIS 103 Cb 0.20 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 2dlv n HIS 103 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dlv h SER 104 N 2.86 -0.12 0.00 0.41 0.87 -1.65 -3.21 113.55 112.70 2dlv h SER 104 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2dlv h SER 104 Cb 1.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2dlv h SER 104 CO 0.26 0.50 0.00 0.49 -0.53 0.00 0.00 176.83 177.55 2dlv n PHE 105 N -4.84 0.00 -0.05 2.24 3.72 -1.26 -3.37 117.46 113.90 2dlv n PHE 105 Ca -0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 2dlv n PHE 105 Cb 0.25 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.33 -0.14 4.37 3.58 -1.82 -1.25 116.42 121.50 2dlv h ASP 106 Ca 0.00 -0.52 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 2dlv h ASP 106 Cb 0.00 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2dlv h ASP 106 CO 0.00 0.78 -0.11 0.00 -2.88 0.00 0.00 179.24 177.04 2dlv h ALA 107 N 0.56 0.20 -0.86 -0.78 0.00 -1.74 -3.06 119.26 113.58 2dlv h ALA 107 Ca 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dlv h ALA 107 Cb 0.70 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2dlv h ALA 107 CO 0.04 0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.86 2dlv h ALA 108 N 0.63 1.09 -0.99 0.00 0.00 -1.73 -2.36 119.26 115.91 2dlv h ALA 108 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2dlv h ALA 108 Cb 0.61 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2dlv h ALA 108 CO 0.03 0.54 0.62 0.37 0.00 0.00 0.00 179.25 180.81 2dlv h GLN 109 N 1.17 1.01 -0.64 0.00 4.15 -1.21 -1.05 115.11 118.54 2dlv h GLN 109 Ca 0.31 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 2dlv h GLN 109 Cb -0.07 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.37 2dlv h GLN 109 CO -0.06 0.67 0.18 1.03 -1.93 0.00 0.00 178.83 178.72 2dlv h SER 110 N 1.04 0.93 0.34 -0.69 0.87 -1.33 -1.45 113.55 113.26 2dlv h SER 110 Ca 0.47 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2dlv h SER 110 Cb 0.37 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2dlv h SER 110 CO -0.23 0.88 -0.25 -0.09 -0.53 0.00 0.00 176.83 176.61 2dlv h ARG 111 N 0.96 -0.56 -0.27 2.24 1.12 -1.01 -2.71 114.38 114.14 2dlv h ARG 111 Ca 0.21 0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.12 2dlv h ARG 111 Cb 0.30 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 2dlv h ARG 111 CO -0.01 -0.38 0.16 0.28 -3.11 0.00 0.00 179.97 176.92 2dlv h VAL 112 N -0.58 1.10 -0.85 0.20 2.07 -1.39 -2.33 116.25 114.47 2dlv h VAL 112 Ca -0.03 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.40 2dlv h VAL 112 Cb 0.50 0.79 -0.15 0.00 -1.52 0.00 0.00 31.29 30.91 2dlv h VAL 112 CO 0.00 0.10 -0.28 0.22 0.02 0.00 0.00 177.57 177.63 2dlv h TYR 113 N 0.33 -0.71 0.32 1.57 5.03 -1.12 -0.84 116.97 121.56 2dlv h TYR 113 Ca 0.10 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 2dlv h TYR 113 Cb 0.02 0.44 0.00 0.00 1.55 0.00 0.00 36.73 38.75 2dlv h TYR 113 CO -0.04 -0.38 -0.15 1.96 -1.32 0.00 0.00 178.16 178.22 2dlv h GLN 114 N -0.03 -0.41 -0.93 1.82 4.20 -1.31 -2.55 115.11 115.89 2dlv h GLN 114 Ca 0.36 0.03 0.34 0.00 0.06 0.00 0.00 58.65 59.45 2dlv h GLN 114 Cb 0.61 0.09 -0.17 0.00 0.30 0.00 0.00 27.48 28.31 2dlv h GLN 114 CO -0.88 -0.12 0.33 1.28 -0.67 0.00 0.00 178.83 178.77 2dlv n LEU 115 N -5.17 0.17 0.10 1.46 4.77 -0.41 -0.85 117.00 117.07 2dlv n LEU 115 Ca -0.10 1.56 -0.04 0.00 -0.03 0.00 0.00 56.01 57.40 2dlv n LEU 115 Cb 0.25 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 2dlv n LEU 115 CO 0.32 -1.69 0.23 0.24 -1.33 0.00 0.00 177.39 175.16 2dlv h MET 116 N 0.00 -0.27 -1.63 3.23 2.86 -1.19 -3.23 114.93 114.70 2dlv h MET 116 Ca 0.71 0.02 0.51 0.00 -2.06 0.00 0.00 59.70 58.88 2dlv h MET 116 Cb 1.77 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 33.38 2dlv h MET 116 CO -0.78 -0.18 1.12 -1.91 1.06 0.00 0.00 176.91 176.22 2dlv n GLU 117 N -3.47 -0.02 -0.01 1.72 0.00 -0.39 0.46 120.64 118.93 2dlv n GLU 117 Ca -0.03 1.15 -0.00 0.00 0.00 0.00 0.00 57.16 58.27 2dlv n GLU 117 Cb 0.11 -2.43 -0.00 0.00 0.00 0.00 0.00 31.44 29.11 2dlv n GLU 117 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2dlv h GLN 118 N 0.00 -0.01 0.00 5.31 4.20 -1.01 -3.30 115.11 120.30 2dlv h GLN 118 Ca 0.89 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.56 2dlv h GLN 118 Cb 3.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.99 2dlv h GLN 118 CO -0.25 -0.01 -1.17 -0.40 -0.67 0.00 0.00 178.83 176.34 2dlv n ASP 119 N -2.83 3.92 -0.16 1.46 5.68 -0.48 -4.46 116.55 119.69 2dlv n ASP 119 Ca -0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 54.79 54.22 2dlv n ASP 119 Cb 0.01 0.09 0.01 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.96 0.45 -1.12 0.02 -0.20 0.28 113.55 112.02 2dlv h SER 120 Ca -0.07 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2dlv h SER 120 Cb 1.11 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2dlv h SER 120 CO -0.01 -0.29 -0.22 0.22 -1.14 0.00 0.00 176.83 175.40 2dlv h TYR 121 N -0.17 -0.56 -0.96 3.45 3.20 -1.59 0.20 116.97 120.53 2dlv h TYR 121 Ca 0.21 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.32 2dlv h TYR 121 Cb 0.52 0.19 -0.18 0.00 1.54 0.00 0.00 36.73 38.79 2dlv h TYR 121 CO -0.55 -0.35 0.00 1.79 -1.64 0.00 0.00 178.16 177.42 2dlv h THR 122 N -0.79 0.06 -0.04 1.81 1.35 -1.60 0.19 112.91 113.89 2dlv h THR 122 Ca -0.06 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.77 2dlv h THR 122 Cb 0.46 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.91 2dlv h THR 122 CO 0.10 0.00 -0.05 0.03 -0.25 0.00 0.00 175.52 175.35 2dlv h ARG 123 N 0.02 0.10 -0.91 4.72 3.08 -0.45 -3.06 114.38 117.89 2dlv h ARG 123 Ca 0.57 -0.06 0.26 0.00 0.07 0.00 0.00 59.98 60.82 2dlv h ARG 123 Cb 1.13 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 2dlv h ARG 123 CO -0.90 0.61 0.74 0.35 -1.07 0.00 0.00 179.97 179.69 2dlv h PHE 124 N -0.39 0.00 -0.01 3.04 3.57 0.23 0.89 116.94 124.27 2dlv h PHE 124 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2dlv h PHE 124 Cb 0.60 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2dlv h PHE 124 CO 0.11 0.00 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.53 2dlv h LEU 125 N 0.00 0.03 -3.20 0.59 3.38 -0.98 -2.98 115.31 112.15 2dlv h LEU 125 Ca 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2dlv h LEU 125 Cb 1.90 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2dlv h LEU 125 CO -0.00 0.61 0.00 2.29 0.09 0.00 0.00 178.44 181.42 2dlv n LYS 126 N -3.85 3.38 -3.18 1.13 2.85 0.29 -4.77 118.16 114.02 2dlv n LYS 126 Ca -0.01 -2.74 -0.40 0.00 -1.05 0.00 0.00 58.31 54.10 2dlv n LYS 126 Cb 0.59 -1.80 -0.07 0.00 -0.65 0.00 0.00 35.03 33.10 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 -1.36 6.55 0.23 -5.58 1.04 -0.06 -4.95 113.70 109.57 2dlv s SER 127 Ca 0.42 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 2dlv s SER 127 Cb 0.31 -2.31 0.51 0.00 0.10 0.00 0.00 66.02 64.63 2dlv s SER 127 CO 0.15 -0.29 1.20 0.47 0.98 0.00 0.00 173.24 175.75 2dlv n ASP 128 N 5.33 -0.15 -0.24 7.02 8.00 -1.26 0.63 116.55 135.88 2dlv n ASP 128 Ca -0.03 1.31 -0.05 0.00 0.71 0.00 0.00 54.79 56.74 2dlv n ASP 128 Cb 0.50 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2dlv n ASP 128 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dlv h ILE 129 N 0.00 0.12 0.42 0.53 2.04 -1.92 0.35 117.51 119.06 2dlv h ILE 129 Ca 0.44 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.28 2dlv h ILE 129 Cb 0.83 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2dlv h ILE 129 CO -0.75 0.00 -0.46 0.22 0.00 0.00 0.00 178.15 177.17 2dlv h TYR 130 N -0.14 -1.28 -1.20 1.37 5.03 -0.03 -0.59 116.97 120.14 2dlv h TYR 130 Ca 0.25 0.01 0.34 0.00 2.58 0.00 0.00 58.73 61.91 2dlv h TYR 130 Cb 0.56 0.50 -0.08 0.00 1.55 0.00 0.00 36.73 39.26 2dlv h TYR 130 CO -0.70 -0.60 0.81 -0.07 -1.32 0.00 0.00 178.16 176.28 2dlv h LEU 131 N -0.89 0.23 0.08 2.82 3.38 -1.22 0.73 115.31 120.44 2dlv h LEU 131 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dlv h LEU 131 Cb 0.78 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dlv h LEU 131 CO -0.07 -0.00 -0.04 -0.78 0.09 0.00 0.00 178.44 177.63 2dlv h ASP 132 N 0.18 -0.09 -1.03 -0.43 3.58 0.05 0.30 116.42 118.98 2dlv h ASP 132 Ca 0.65 -0.42 0.41 0.00 0.42 0.00 0.00 57.03 58.09 2dlv h ASP 132 Cb 2.11 0.02 -0.17 0.00 1.72 0.00 0.00 39.33 43.01 2dlv h ASP 132 CO -0.21 0.40 0.57 0.17 -2.88 0.00 0.00 179.24 177.29 2dlv h LEU 133 N -0.61 0.33 0.09 2.28 8.10 0.66 0.68 115.31 126.83 2dlv h LEU 133 Ca -0.01 0.25 -0.36 0.00 0.11 0.00 0.00 57.88 57.87 2dlv h LEU 133 Cb 0.51 0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.94 2dlv h LEU 133 CO 0.02 -0.40 -2.04 1.15 -4.11 0.00 0.00 178.44 173.06 2dlv n MET 134 N -5.20 0.72 0.00 0.17 0.00 -1.14 -3.97 117.12 107.71 2dlv n MET 134 Ca 0.37 0.24 0.07 0.00 0.00 0.00 0.00 57.70 58.39 2dlv n MET 134 Cb 1.28 -1.69 0.38 0.00 0.00 0.00 0.00 33.22 33.19 2dlv n MET 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2dlv n SER 135 N -3.36 0.00 -1.45 3.17 7.64 0.10 -4.63 113.62 115.08 2dlv n SER 135 Ca -0.32 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2dlv n SER 135 Cb 1.04 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2dlv n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlv n GLY 136 N -0.14 -4.26 3.56 0.23 0.00 0.20 -4.57 105.19 100.22 2dlv n GLY 136 Ca 0.09 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.56 2.54 -0.22 1.61 0.04 -1.26 -4.92 135.00 128.23 2dlv s PRO 137 Ca 0.00 -0.49 -0.29 0.00 0.04 0.00 0.00 61.00 60.26 2dlv s PRO 137 Cb 0.00 -5.10 0.01 0.00 0.04 0.00 0.00 34.50 29.44 2dlv s PRO 137 CO 0.00 -3.52 1.06 -1.54 0.04 0.00 0.00 177.00 173.03 2dlv s SER 138 N 7.68 7.09 0.22 6.66 1.04 -1.26 -5.03 113.70 130.11 2dlv s SER 138 Ca 0.70 1.41 0.08 0.00 0.48 0.00 0.00 55.95 58.61 2dlv s SER 138 Cb -0.05 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2dlv s SER 138 CO 0.03 -0.67 -0.12 -0.55 0.98 0.00 0.00 173.24 172.90 2dlv s SER 139 N 1.26 2.64 0.00 7.02 0.15 -1.26 -5.28 113.70 118.23 2dlv s SER 139 Ca 0.45 -1.06 0.09 0.00 0.70 0.00 0.00 55.95 56.13 2dlv s SER 139 Cb -0.16 -0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.08 2dlv s SER 139 CO 0.07 -0.21 0.78 0.61 1.20 0.00 0.00 173.24 175.70