#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 6.61 -0.17 1.61 0.15 -1.26 -5.00 113.70 115.64 2dlv s SER 2 Ca 0.00 1.45 -0.04 0.00 0.70 0.00 0.00 55.95 58.07 2dlv s SER 2 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2dlv s SER 2 CO 0.00 -1.09 -0.04 -0.55 1.20 0.00 0.00 173.24 172.76 2dlv s SER 3 N 3.18 4.63 -0.01 5.45 0.15 -1.26 -5.10 113.70 120.75 2dlv s SER 3 Ca 0.62 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.88 2dlv s SER 3 Cb -0.21 -1.76 -0.06 0.00 -1.71 0.00 0.00 66.02 62.28 2dlv s SER 3 CO 0.24 0.12 0.52 -0.83 1.20 0.00 0.00 173.24 174.50 2dlv s GLY 4 N 0.65 2.55 -0.31 9.45 0.00 -1.26 -5.03 107.32 113.37 2dlv s GLY 4 Ca -0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 2dlv s GLY 4 CO 0.02 0.55 1.26 -1.35 0.00 0.00 0.00 173.10 173.58 2dlv s SER 5 N -0.45 6.72 0.22 1.64 1.04 -1.26 -4.98 113.70 116.63 2dlv s SER 5 Ca 0.28 1.16 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 2dlv s SER 5 Cb -0.18 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2dlv s SER 5 CO 0.15 -1.05 0.53 -0.94 0.98 0.00 0.00 173.24 172.91 2dlv s SER 6 N 2.57 -0.19 -0.23 7.02 1.04 -1.26 -5.11 113.70 117.54 2dlv s SER 6 Ca 0.54 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 2dlv s SER 6 Cb -0.16 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.68 2dlv s SER 6 CO 0.22 -1.12 0.36 -0.83 0.98 0.00 0.00 173.24 172.86 2dlv s GLY 7 N -2.93 -0.36 0.55 7.32 0.00 -1.26 -4.73 107.32 105.92 2dlv s GLY 7 Ca 0.14 0.93 -0.21 0.00 0.00 0.00 0.00 44.72 45.57 2dlv s GLY 7 CO 0.02 2.56 1.30 1.44 0.00 0.00 0.00 173.10 178.42 2dlv n SER 8 N 5.36 2.40 0.16 1.64 7.64 -1.26 -4.81 113.62 124.75 2dlv n SER 8 Ca -0.04 0.96 0.13 0.00 1.01 0.00 0.00 58.87 60.93 2dlv n SER 8 Cb 0.50 -1.54 0.54 0.00 -1.01 0.00 0.00 64.21 62.70 2dlv n SER 8 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2dlv h PRO 9 N 1.31 0.00 0.11 1.43 0.13 -1.98 -0.16 132.00 132.85 2dlv h PRO 9 Ca -0.50 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.28 2dlv h PRO 9 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2dlv h PRO 9 CO 0.56 0.00 -1.91 1.49 -0.23 0.00 0.00 178.00 177.92 2dlv h GLU 10 N 0.00 0.24 0.22 0.86 4.57 -2.00 -3.25 114.58 115.21 2dlv h GLU 10 Ca 0.00 -0.41 -0.30 0.00 -1.18 0.00 0.00 59.36 57.48 2dlv h GLU 10 Cb 0.39 0.15 0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2dlv h GLU 10 CO 0.00 1.11 -1.29 0.93 -1.18 0.00 0.00 179.01 178.58 2dlv h GLU 11 N 0.07 0.49 -0.15 1.92 5.08 -1.90 -3.21 114.58 116.87 2dlv h GLU 11 Ca -0.39 -0.82 0.01 0.00 -1.00 0.00 0.00 59.36 57.16 2dlv h GLU 11 Cb 2.04 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 2dlv h GLU 11 CO 0.10 1.39 0.08 0.00 -1.00 0.00 0.00 179.01 179.58 2dlv h ALA 12 N 0.15 0.18 -0.90 3.43 0.00 -1.21 0.24 119.26 121.14 2dlv h ALA 12 Ca -0.22 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2dlv h ALA 12 Cb 2.02 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 2dlv h ALA 12 CO 0.24 -0.36 0.55 -0.24 0.00 0.00 0.00 179.25 179.44 2dlv h VAL 13 N 0.16 0.96 -0.14 0.00 3.04 -1.68 -2.32 116.25 116.27 2dlv h VAL 13 Ca 0.06 -0.32 -0.13 0.00 -1.01 0.00 0.00 66.70 65.30 2dlv h VAL 13 Cb 0.01 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.24 2dlv h VAL 13 CO -0.04 0.17 -0.42 0.11 -1.01 0.00 0.00 177.57 176.38 2dlv h LYS 14 N 0.93 0.52 -0.75 4.17 1.57 -1.46 -3.24 116.57 118.31 2dlv h LYS 14 Ca 0.43 -0.38 0.28 0.00 -1.87 0.00 0.00 60.65 59.10 2dlv h LYS 14 Cb 0.34 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.58 2dlv h LYS 14 CO -0.23 1.00 0.27 0.91 -0.57 0.00 0.00 179.45 180.83 2dlv n TRP 15 N -4.28 0.74 -0.26 -1.35 8.01 0.81 0.24 117.44 121.35 2dlv n TRP 15 Ca -0.07 0.89 -0.06 0.00 -1.31 0.00 0.00 57.50 56.95 2dlv n TRP 15 Cb 0.55 -1.23 0.05 0.00 -2.01 0.00 0.00 31.31 28.67 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 1.11 -0.68 6.99 0.00 -1.58 -3.12 103.07 105.80 2dlv h GLY 16 Ca 0.58 -0.55 0.11 0.00 0.00 0.00 0.00 47.33 47.46 2dlv h GLY 16 CO -0.62 0.52 -0.26 1.18 0.00 0.00 0.00 176.54 177.36 2dlv n GLU 17 N -4.42 -0.16 -3.74 4.80 1.02 0.66 -4.57 120.64 114.24 2dlv n GLU 17 Ca 0.06 1.04 -0.11 0.00 -0.02 0.00 0.00 57.16 58.13 2dlv n GLU 17 Cb 0.13 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 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 -5.24 -0.13 0.13 1.62 0.01 -1.18 -5.06 113.70 103.86 2dlv s SER 18 Ca -0.09 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 2dlv s SER 18 Cb 0.14 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2dlv s SER 18 CO 0.48 -0.67 1.79 0.15 0.41 0.00 0.00 173.24 175.40 2dlv h PHE 19 N 2.99 0.33 -0.72 2.43 3.57 -1.81 -2.64 116.94 121.10 2dlv h PHE 19 Ca -0.32 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.32 2dlv h PHE 19 Cb 1.21 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 2dlv h PHE 19 CO 0.42 0.20 0.27 0.22 -2.23 0.00 0.00 178.31 177.20 2dlv h ASP 20 N 0.36 0.24 -0.79 0.41 1.82 -1.97 -0.81 116.42 115.68 2dlv h ASP 20 Ca 0.10 0.11 0.18 0.00 -0.39 0.00 0.00 57.03 57.03 2dlv h ASP 20 Cb -0.03 0.09 -0.12 0.00 0.68 0.00 0.00 39.33 39.96 2dlv h ASP 20 CO -0.03 0.09 0.20 0.11 -1.61 0.00 0.00 179.24 178.01 2dlv h LYS 21 N 0.42 0.26 0.86 0.28 1.79 -1.73 0.08 116.57 118.51 2dlv h LYS 21 Ca 0.39 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.80 2dlv h LYS 21 Cb 0.58 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2dlv h LYS 21 CO -0.39 0.17 -0.41 1.25 -1.08 0.00 0.00 179.45 178.98 2dlv h LEU 22 N 0.27 -0.98 -0.59 2.94 5.85 -1.16 -3.17 115.31 118.48 2dlv h LEU 22 Ca 0.46 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.32 2dlv h LEU 22 Cb 0.83 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 2dlv h LEU 22 CO -0.55 -0.66 -0.28 -0.07 -0.34 0.00 0.00 178.44 176.54 2dlv h LEU 23 N -1.23 -0.96 -0.96 2.25 3.38 -1.14 0.83 115.31 117.47 2dlv h LEU 23 Ca -0.12 0.21 0.33 0.00 0.09 0.00 0.00 57.88 58.40 2dlv h LEU 23 Cb 0.88 0.51 -0.18 0.00 0.09 0.00 0.00 40.66 41.97 2dlv h LEU 23 CO 0.19 -0.28 0.27 -0.24 0.09 0.00 0.00 178.44 178.47 2dlv n SER 24 N -5.44 0.11 -4.78 -0.43 2.88 -0.04 -4.22 113.62 101.70 2dlv n SER 24 Ca 0.05 1.61 -0.39 0.00 -1.33 0.00 0.00 58.87 58.81 2dlv n SER 24 Cb 0.35 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 63.07 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 -5.70 3.87 -0.02 0.66 5.65 0.29 -5.01 115.29 115.03 2dlv s HIS 25 Ca -0.11 1.56 -0.19 0.00 0.25 0.00 0.00 55.06 56.57 2dlv s HIS 25 Cb 0.30 -2.73 -0.11 0.00 -1.18 0.00 0.00 32.58 28.86 2dlv s HIS 25 CO 0.75 0.49 0.81 -0.09 -0.65 0.00 0.00 174.74 176.05 2dlv h ARG 26 N 4.54 -0.64 -0.79 2.88 9.65 -1.81 -2.40 114.38 125.82 2dlv h ARG 26 Ca -0.47 0.04 0.14 0.00 -1.10 0.00 0.00 59.98 58.59 2dlv h ARG 26 Cb 1.21 0.14 -0.14 0.00 -1.39 0.00 0.00 29.97 29.79 2dlv h ARG 26 CO 0.66 -0.40 -0.32 -0.44 2.80 0.00 0.00 179.97 182.26 2dlv h ASP 27 N -1.16 -1.17 -0.19 -3.80 5.19 -1.92 0.44 116.42 113.81 2dlv h ASP 27 Ca -0.07 0.26 0.02 0.00 -0.62 0.00 0.00 57.03 56.63 2dlv h ASP 27 Cb 0.53 0.63 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 2dlv h ASP 27 CO 0.11 -0.29 0.06 1.23 -3.12 0.00 0.00 179.24 177.22 2dlv h GLY 28 N -0.07 0.23 0.27 2.75 0.00 -1.81 -2.71 103.07 101.72 2dlv h GLY 28 Ca 0.31 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.71 2dlv h GLY 28 CO -0.83 0.02 0.11 -2.00 0.00 0.00 0.00 176.54 173.84 2dlv h LEU 29 N 0.14 0.00 -0.05 3.11 5.85 -0.44 -2.15 115.31 121.77 2dlv h LEU 29 Ca 0.08 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2dlv h LEU 29 Cb 0.06 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2dlv h LEU 29 CO -0.10 0.02 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.39 2dlv h GLU 30 N 0.25 -0.33 -0.93 1.25 4.39 -0.81 -1.04 114.58 117.35 2dlv h GLU 30 Ca 0.28 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.25 2dlv h GLU 30 Cb 0.40 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.00 2dlv h GLU 30 CO -0.37 -0.22 0.44 0.00 -1.16 0.00 0.00 179.01 177.71 2dlv h ALA 31 N -0.84 1.57 -0.49 3.43 0.00 -1.36 0.13 119.26 121.69 2dlv h ALA 31 Ca 0.01 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2dlv h ALA 31 Cb 0.39 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2dlv h ALA 31 CO -0.23 -0.38 0.22 0.35 0.00 0.00 0.00 179.25 179.22 2dlv h PHE 32 N 0.40 0.40 -0.31 0.00 3.57 -0.58 -2.51 116.94 117.91 2dlv h PHE 32 Ca 0.60 0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.19 2dlv h PHE 32 Cb 1.19 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 2dlv h PHE 32 CO -0.11 0.17 -0.09 1.15 -2.23 0.00 0.00 178.31 177.21 2dlv h THR 33 N 0.43 0.66 0.01 4.41 2.02 0.39 -2.76 112.91 118.08 2dlv h THR 33 Ca 0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 2dlv h THR 33 Cb 0.18 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2dlv h THR 33 CO -0.19 0.00 -0.33 0.03 0.37 0.00 0.00 175.52 175.40 2dlv h ARG 34 N -0.02 -0.40 -1.02 6.66 -0.00 -1.23 0.22 114.38 118.59 2dlv h ARG 34 Ca 0.15 0.03 0.41 0.00 -0.50 0.00 0.00 59.98 60.07 2dlv h ARG 34 Cb 0.25 0.09 -0.18 0.00 0.00 0.00 0.00 29.97 30.13 2dlv h ARG 34 CO -0.33 -0.27 0.56 0.35 0.00 0.00 0.00 179.97 180.29 2dlv h PHE 35 N -0.42 0.82 -0.09 3.04 3.57 -1.32 0.84 116.94 123.38 2dlv h PHE 35 Ca 0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 2dlv h PHE 35 Cb 0.45 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.00 2dlv h PHE 35 CO -0.45 -0.44 -0.54 -0.07 -2.23 0.00 0.00 178.31 174.57 2dlv h LEU 36 N 0.03 0.64 -0.92 0.59 3.38 -0.88 -3.23 115.31 114.92 2dlv h LEU 36 Ca 0.84 -0.66 0.20 0.00 0.09 0.00 0.00 57.88 58.36 2dlv h LEU 36 Cb 2.23 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.68 2dlv h LEU 36 CO -0.74 1.19 0.47 0.11 0.09 0.00 0.00 178.44 179.56 2dlv h LYS 37 N 0.13 0.52 -0.52 1.13 1.57 0.39 0.30 116.57 120.09 2dlv h LYS 37 Ca -0.04 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2dlv h LYS 37 Cb 1.20 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2dlv h LYS 37 CO 0.11 0.34 0.13 1.79 -0.57 0.00 0.00 179.45 181.26 2dlv h THR 38 N 0.53 1.22 -0.49 -0.16 1.35 -1.39 -1.77 112.91 112.20 2dlv h THR 38 Ca 0.56 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2dlv h THR 38 Cb 0.98 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2dlv h THR 38 CO -0.46 0.29 0.00 -0.62 -0.25 0.00 0.00 175.52 174.48 2dlv n GLU 39 N -4.29 2.73 -3.50 4.72 -0.58 0.80 -4.91 120.64 115.61 2dlv n GLU 39 Ca 0.04 -2.00 -0.26 0.00 -0.42 0.00 0.00 57.16 54.52 2dlv n GLU 39 Cb 0.21 -1.62 0.01 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 0.85 -1.98 0.29 -0.32 3.72 0.30 -4.82 117.46 115.50 2dlv n PHE 40 Ca 0.18 0.62 0.03 0.00 -0.05 0.00 0.00 57.45 58.24 2dlv n PHE 40 Cb 0.60 -3.53 -0.04 0.00 -0.94 0.00 0.00 39.48 35.57 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 -2.51 0.30 -0.32 4.37 7.64 -0.02 -4.66 113.62 118.42 2dlv n SER 41 Ca -0.01 -0.65 0.20 0.00 1.01 0.00 0.00 58.87 59.43 2dlv n SER 41 Cb 0.55 1.00 0.41 0.00 -1.01 0.00 0.00 64.21 65.15 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 0.00 0.16 -1.09 1.43 -0.00 -1.81 0.29 114.58 113.56 2dlv h GLU 42 Ca 0.00 -0.01 0.32 0.00 -0.00 0.00 0.00 59.36 59.67 2dlv h GLU 42 Cb 0.15 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 28.82 2dlv h GLU 42 CO 0.00 0.10 1.08 -0.85 -0.00 0.00 0.00 179.01 179.34 2dlv n GLU 43 N -5.23 0.01 0.29 1.06 0.00 -1.26 0.53 120.64 116.04 2dlv n GLU 43 Ca 0.28 0.87 -0.12 0.00 0.00 0.00 0.00 57.16 58.19 2dlv n GLU 43 Cb 0.91 -2.12 -0.06 0.00 0.00 0.00 0.00 31.44 30.17 2dlv n GLU 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dlv h ASN 44 N 0.00 -0.67 -0.22 -1.84 2.35 -0.74 -3.10 115.58 111.37 2dlv h ASN 44 Ca 0.52 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.27 2dlv h ASN 44 Cb 2.66 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 41.19 2dlv h ASN 44 CO -0.01 -0.27 0.11 -0.29 -1.65 0.00 0.00 177.43 175.33 2dlv h ILE 45 N -1.19 1.10 -0.77 2.81 6.09 -0.10 -2.34 117.51 123.11 2dlv h ILE 45 Ca -0.08 -0.30 0.11 0.00 -1.37 0.00 0.00 64.86 63.22 2dlv h ILE 45 Cb 0.62 0.78 -0.08 0.00 0.47 0.00 0.00 36.82 38.61 2dlv h ILE 45 CO 0.13 0.12 0.39 -0.33 -3.07 0.00 0.00 178.15 175.38 2dlv h GLU 46 N 0.36 0.60 -0.08 2.19 5.08 -1.30 -1.17 114.58 120.26 2dlv h GLU 46 Ca 0.09 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2dlv h GLU 46 Cb 0.06 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.18 2dlv h GLU 46 CO -0.01 0.40 -0.48 0.35 -1.00 0.00 0.00 179.01 178.27 2dlv h PHE 47 N 0.62 0.65 -0.53 4.33 3.57 -1.35 -2.81 116.94 121.42 2dlv h PHE 47 Ca 0.39 -0.29 0.11 0.00 3.53 0.00 0.00 57.97 61.71 2dlv h PHE 47 Cb 0.47 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 2dlv h PHE 47 CO -0.10 1.07 -0.03 2.35 -2.23 0.00 0.00 178.31 179.37 2dlv h TRP 48 N 0.04 -0.09 -0.03 0.41 7.01 -1.04 -1.88 115.95 120.38 2dlv h TRP 48 Ca -0.04 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dlv h TRP 48 Cb 1.13 0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 28.31 2dlv h TRP 48 CO 0.12 -0.15 0.01 0.82 -2.79 0.00 0.00 178.44 176.45 2dlv h ILE 49 N 0.09 1.15 -0.93 2.65 2.04 -1.30 -2.94 117.51 118.28 2dlv h ILE 49 Ca 0.27 -0.46 0.26 0.00 1.00 0.00 0.00 64.86 65.93 2dlv h ILE 49 Cb 0.41 1.41 -0.14 0.00 -0.74 0.00 0.00 36.82 37.77 2dlv h ILE 49 CO -0.47 0.12 0.38 0.00 0.00 0.00 0.00 178.15 178.19 2dlv h ALA 50 N 0.82 1.54 0.04 1.87 0.00 -1.09 -0.38 119.26 122.07 2dlv h ALA 50 Ca 0.01 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2dlv h ALA 50 Cb 0.19 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2dlv h ALA 50 CO -0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 179.25 178.43 2dlv h GLU 52 N -0.53 0.24 -0.22 0.00 4.39 -1.11 0.46 114.58 117.80 2dlv h GLU 52 Ca 0.05 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 2dlv h GLU 52 Cb 0.59 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2dlv h GLU 52 CO -0.25 0.16 -0.25 0.22 -1.16 0.00 0.00 179.01 177.73 2dlv h ASP 53 N 0.24 0.41 -0.65 1.42 3.58 -0.98 -2.73 116.42 117.71 2dlv h ASP 53 Ca 0.32 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2dlv h ASP 53 Cb 0.49 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2dlv h ASP 53 CO -0.42 0.66 0.43 0.15 -2.88 0.00 0.00 179.24 177.17 2dlv h PHE 54 N 0.37 0.78 -0.15 0.28 3.04 0.21 -2.44 116.94 119.03 2dlv h PHE 54 Ca 0.06 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.85 2dlv h PHE 54 Cb 0.63 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 38.88 2dlv h PHE 54 CO 0.02 0.48 -0.61 0.87 -2.02 0.00 0.00 178.31 177.05 2dlv h LYS 55 N 0.83 0.67 -1.39 1.11 1.57 -1.10 -3.19 116.57 115.07 2dlv h LYS 55 Ca 0.25 -0.53 0.48 0.00 -1.87 0.00 0.00 60.65 58.98 2dlv h LYS 55 Cb -0.03 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 32.25 2dlv h LYS 55 CO -0.06 1.14 0.90 1.63 -0.57 0.00 0.00 179.45 182.49 2dlv n LYS 56 N -4.10 -0.03 -1.56 3.15 5.02 -0.92 -4.50 118.16 115.23 2dlv n LYS 56 Ca -0.07 1.23 -0.38 0.00 -2.02 0.00 0.00 58.31 57.07 2dlv n LYS 56 Cb 0.66 -2.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.27 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 -4.66 0.03 -0.02 4.39 2.88 -1.21 -4.95 113.62 110.09 2dlv n SER 57 Ca 0.40 0.78 -0.02 0.00 -1.33 0.00 0.00 58.87 58.70 2dlv n SER 57 Cb 1.57 -1.30 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 2dlv n SER 57 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dlv n LYS 58 N -0.63 1.04 -2.75 -1.46 2.85 -1.26 -5.03 118.16 110.91 2dlv n LYS 58 Ca 0.13 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.16 2dlv n LYS 58 Cb 0.47 -1.06 0.02 0.00 -0.65 0.00 0.00 35.03 33.81 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dlv s GLY 59 N -4.04 1.59 0.20 2.58 0.00 -1.26 -5.01 107.32 101.38 2dlv s GLY 59 Ca -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 2dlv s GLY 59 CO 0.08 -0.70 1.55 -0.56 0.00 0.00 0.00 173.10 173.47 2dlv h PRO 60 N 0.17 0.65 0.00 2.90 0.13 -2.00 -3.30 132.00 130.55 2dlv h PRO 60 Ca -0.46 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2dlv h PRO 60 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dlv h PRO 60 CO 0.59 0.95 0.00 0.94 -0.23 0.00 0.00 178.00 180.24 2dlv n GLN 61 N -4.03 0.00 -0.08 0.86 -0.06 -1.26 -1.24 117.38 111.57 2dlv n GLN 61 Ca -0.02 0.95 -0.10 0.00 -2.00 0.00 0.00 57.00 55.83 2dlv n GLN 61 Cb 0.53 -1.50 -0.07 0.00 -4.06 0.00 0.00 30.24 25.14 2dlv n GLN 61 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2dlv h GLN 62 N 0.00 -0.29 -0.88 3.69 1.08 -1.99 0.10 115.11 116.82 2dlv h GLN 62 Ca 0.00 0.02 0.36 0.00 -1.45 0.00 0.00 58.65 57.58 2dlv h GLN 62 Cb 0.00 0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 27.35 2dlv h GLN 62 CO 0.00 -0.20 0.48 -0.89 -0.95 0.00 0.00 178.83 177.28 2dlv n ILE 63 N -4.60 -0.35 0.01 2.54 5.41 -0.96 0.77 119.36 122.19 2dlv n ILE 63 Ca -0.03 1.72 -0.12 0.00 1.00 0.00 0.00 62.75 65.32 2dlv n ILE 63 Cb 0.25 -2.80 -0.10 0.00 -0.71 0.00 0.00 39.64 36.28 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 -0.08 0.56 1.39 3.86 0.58 -2.58 115.15 118.88 2dlv h HIS 64 Ca 0.73 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.91 2dlv h HIS 64 Cb 1.96 0.03 0.01 0.00 1.06 0.00 0.00 27.41 30.46 2dlv h HIS 64 CO -0.01 0.45 -0.27 -0.07 0.86 0.00 0.00 177.93 178.89 2dlv h LEU 65 N -0.69 -0.63 -0.73 2.43 4.07 0.16 -2.78 115.31 117.13 2dlv h LEU 65 Ca -0.01 0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.09 2dlv h LEU 65 Cb 0.57 0.16 -0.13 0.00 1.08 0.00 0.00 40.66 42.35 2dlv h LEU 65 CO 0.02 -0.38 -0.35 0.11 -1.08 0.00 0.00 178.44 176.76 2dlv h LYS 66 N -0.90 -0.10 -0.65 1.13 1.57 -0.07 0.10 116.57 117.65 2dlv h LYS 66 Ca -0.08 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 2dlv h LYS 66 Cb 0.57 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.78 2dlv h LYS 66 CO 0.13 -0.07 -0.18 0.00 -0.57 0.00 0.00 179.45 178.76 2dlv h ALA 67 N 1.13 0.40 -0.17 3.86 0.00 -1.50 0.11 119.26 123.08 2dlv h ALA 67 Ca 0.27 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2dlv h ALA 67 Cb 0.57 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2dlv h ALA 67 CO -0.78 -0.44 -0.02 -0.22 0.00 0.00 0.00 179.25 177.78 2dlv h LYS 68 N -0.01 0.02 0.29 0.00 3.64 -0.54 0.31 116.57 120.28 2dlv h LYS 68 Ca 0.31 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2dlv h LYS 68 Cb 0.48 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2dlv h LYS 68 CO -0.67 0.02 -0.25 0.00 -2.27 0.00 0.00 179.45 176.28 2dlv h ALA 69 N 1.16 -0.99 -0.99 5.00 0.00 -0.14 -0.30 119.26 122.99 2dlv h ALA 69 Ca 0.08 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2dlv h ALA 69 Cb 0.12 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2dlv h ALA 69 CO -0.16 -1.00 0.62 0.82 0.00 0.00 0.00 179.25 179.53 2dlv h ILE 70 N -0.53 0.83 0.33 0.00 2.04 -1.02 0.97 117.51 120.13 2dlv h ILE 70 Ca -0.04 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2dlv h ILE 70 Cb 0.45 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2dlv h ILE 70 CO -0.01 0.16 -0.21 0.22 0.00 0.00 0.00 178.15 178.32 2dlv h TYR 71 N 0.87 -0.55 0.00 1.37 3.20 -0.08 0.39 116.97 122.17 2dlv h TYR 71 Ca 0.52 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.39 2dlv h TYR 71 Cb 0.68 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2dlv h TYR 71 CO -0.00 -0.31 0.00 0.39 -1.64 0.00 0.00 178.16 176.60 2dlv n GLU 72 N -3.57 0.33 -0.05 1.82 1.02 -0.15 -0.19 120.64 119.85 2dlv n GLU 72 Ca -0.06 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 2dlv n GLU 72 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.06 0.30 -0.05 3.49 4.81 0.31 -4.37 118.16 121.59 2dlv n LYS 73 Ca 0.08 0.28 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 2dlv n LYS 73 Cb 0.05 -1.20 -0.02 0.00 0.02 0.00 0.00 35.03 33.88 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 -3.70 0.00 0.00 5.64 3.72 0.13 -2.10 117.46 121.15 2dlv n PHE 74 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2dlv n PHE 74 Cb 0.24 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 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 -3.85 0.00 -0.64 4.37 2.08 -0.93 -3.18 119.36 117.22 2dlv n ILE 75 Ca -0.09 0.89 -0.31 0.00 0.56 0.00 0.00 62.75 63.81 2dlv n ILE 75 Cb 0.32 -1.19 0.19 0.00 -0.75 0.00 0.00 39.64 38.20 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 -2.55 -1.23 -0.09 0.38 10.64 0.73 -4.77 117.38 120.49 2dlv n GLN 76 Ca 0.00 -0.32 -0.12 0.00 -1.83 0.00 0.00 57.00 54.73 2dlv n GLN 76 Cb 0.00 -2.10 -0.15 0.00 -0.86 0.00 0.00 30.24 27.13 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 -4.38 1.47 0.70 -0.39 -1.04 -1.26 -4.20 114.28 105.17 2dlv n THR 77 Ca 0.06 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 2dlv n THR 77 Cb 0.55 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 -2.94 0.46 -4.90 8.00 8.00 -1.26 -4.74 116.55 119.18 2dlv n ASP 78 Ca -0.33 -1.16 -0.25 0.00 0.71 0.00 0.00 54.79 53.76 2dlv n ASP 78 Cb 1.10 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dlv s ALA 79 N -1.20 3.82 0.22 2.24 0.00 -1.26 -5.03 121.76 120.55 2dlv s ALA 79 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 2dlv s ALA 79 Cb 0.00 -1.61 0.20 0.00 0.00 0.00 0.00 23.12 21.71 2dlv s ALA 79 CO 0.00 0.46 1.58 -1.00 0.00 0.00 0.00 175.76 176.80 2dlv h PRO 80 N 2.02 0.55 -0.57 0.00 0.13 -1.84 -2.98 132.00 129.31 2dlv h PRO 80 Ca -0.49 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2dlv h PRO 80 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dlv h PRO 80 CO 0.65 0.88 0.00 1.63 -0.23 0.00 0.00 178.00 180.93 2dlv n LYS 81 N -4.02 4.29 -1.65 0.86 4.76 -1.21 -4.99 118.16 116.20 2dlv n LYS 81 Ca -0.02 -3.03 -0.50 0.00 -2.87 0.00 0.00 58.31 51.89 2dlv n LYS 81 Cb 0.53 -2.08 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 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 0.69 1.68 -3.78 1.97 -0.00 -0.89 -4.35 120.64 115.95 2dlv n GLU 82 Ca 0.26 0.61 -0.23 0.00 -0.00 0.00 0.00 57.16 57.80 2dlv n GLU 82 Cb 1.05 -2.34 -0.03 0.00 -0.00 0.00 0.00 31.44 30.13 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 1.64 2.25 -0.40 3.84 -7.23 -1.19 -5.01 120.40 114.29 2dlv s VAL 83 Ca 0.86 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 2dlv s VAL 83 Cb -0.83 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.40 2dlv s VAL 83 CO 0.47 0.00 1.58 0.21 -0.31 0.00 0.00 175.10 177.05 2dlv s ASN 84 N -4.14 6.10 0.01 4.85 2.47 -1.26 -4.90 114.94 118.07 2dlv s ASN 84 Ca 0.42 0.94 0.03 0.00 0.42 0.00 0.00 52.86 54.67 2dlv s ASN 84 Cb -0.01 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.24 2dlv s ASN 84 CO 0.25 -1.61 -0.08 -0.76 -3.72 0.00 0.00 177.10 171.18 2dlv s LEU 85 N 6.21 2.10 0.79 3.21 1.43 -1.26 -4.80 118.68 126.36 2dlv s LEU 85 Ca 0.68 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 2dlv s LEU 85 Cb -0.17 -0.33 0.08 0.00 0.03 0.00 0.00 46.19 45.80 2dlv s LEU 85 CO 0.32 -0.00 1.22 -0.62 0.23 0.00 0.00 176.35 177.50 2dlv s ASP 86 N -0.68 3.65 0.08 2.29 -1.08 -1.26 -4.85 116.67 114.83 2dlv s ASP 86 Ca -0.01 2.40 -0.31 0.00 -0.52 0.00 0.00 52.55 54.11 2dlv s ASP 86 Cb -0.05 -2.59 -0.16 0.00 -1.46 0.00 0.00 42.92 38.66 2dlv s ASP 86 CO 0.00 -2.63 1.63 0.15 0.52 0.00 0.00 175.17 174.84 2dlv h PHE 87 N -0.78 -0.80 0.06 -5.34 3.57 -2.00 -2.27 116.94 109.38 2dlv h PHE 87 Ca -0.47 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.04 2dlv h PHE 87 Cb 1.30 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.30 2dlv h PHE 87 CO 0.46 -0.46 -0.37 1.25 -2.23 0.00 0.00 178.31 176.96 2dlv h HIS 88 N -0.74 -1.09 -0.95 0.41 2.76 -1.99 0.79 115.15 114.34 2dlv h HIS 88 Ca -0.05 0.03 0.28 0.00 -2.20 0.00 0.00 60.37 58.43 2dlv h HIS 88 Cb 0.61 0.47 -0.17 0.00 1.55 0.00 0.00 27.41 29.87 2dlv h HIS 88 CO -0.11 -0.42 0.16 1.15 -1.30 0.00 0.00 177.93 177.42 2dlv h THR 89 N -0.51 0.10 -0.11 6.26 2.02 -1.93 0.51 112.91 119.25 2dlv h THR 89 Ca -0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2dlv h THR 89 Cb 0.53 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2dlv h THR 89 CO -0.22 0.01 0.02 0.11 0.37 0.00 0.00 175.52 175.81 2dlv h LYS 90 N 0.06 0.17 0.92 6.66 1.57 -0.71 -2.58 116.57 122.67 2dlv h LYS 90 Ca 0.62 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.31 2dlv h LYS 90 Cb 1.35 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.65 2dlv h LYS 90 CO -0.82 0.38 -0.44 1.49 -0.57 0.00 0.00 179.45 179.49 2dlv h GLU 91 N -0.06 -1.19 -0.92 3.15 4.81 0.20 -0.56 114.58 120.02 2dlv h GLU 91 Ca 0.03 0.08 0.22 0.00 -0.13 0.00 0.00 59.36 59.57 2dlv h GLU 91 Cb 0.29 0.27 -0.17 0.00 0.63 0.00 0.00 28.75 29.77 2dlv h GLU 91 CO 0.00 -0.79 -0.05 0.28 -0.73 0.00 0.00 179.01 177.72 2dlv h VAL 92 N -1.33 0.12 -0.30 0.32 2.07 -0.29 0.31 116.25 117.15 2dlv h VAL 92 Ca -0.13 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2dlv h VAL 92 Cb 0.95 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2dlv h VAL 92 CO 0.21 0.01 0.03 0.40 0.02 0.00 0.00 177.57 178.23 2dlv h ILE 93 N 0.03 1.25 -0.95 4.57 2.04 -1.36 0.58 117.51 123.67 2dlv h ILE 93 Ca 0.51 -0.87 0.18 0.00 1.00 0.00 0.00 64.86 65.68 2dlv h ILE 93 Cb 0.95 1.23 -0.10 0.00 -0.74 0.00 0.00 36.82 38.16 2dlv h ILE 93 CO -0.87 0.28 0.55 0.74 0.00 0.00 0.00 178.15 178.85 2dlv h THR 94 N 0.32 0.70 0.07 -0.27 2.02 0.12 0.92 112.91 116.80 2dlv h THR 94 Ca 0.09 -0.24 -0.31 0.00 0.77 0.00 0.00 66.41 66.72 2dlv h THR 94 Cb 0.39 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2dlv h THR 94 CO 0.01 0.13 -1.66 0.78 0.37 0.00 0.00 175.52 175.15 2dlv h ASN 95 N 0.71 0.24 -0.30 4.18 2.35 -1.08 -3.32 115.58 118.36 2dlv h ASN 95 Ca 0.54 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2dlv h ASN 95 Cb 0.83 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2dlv h ASN 95 CO -0.38 1.36 0.00 -0.24 -1.65 0.00 0.00 177.43 176.51 2dlv n SER 96 N -3.31 3.05 0.00 5.81 2.88 0.20 -4.08 113.62 118.17 2dlv n SER 96 Ca -0.19 -2.36 0.10 0.00 -1.33 0.00 0.00 58.87 55.09 2dlv n SER 96 Cb 1.04 -0.52 0.54 0.00 -0.75 0.00 0.00 64.21 64.52 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 0.36 0.32 -0.01 2.46 0.13 0.31 -1.96 119.36 120.98 2dlv n ILE 97 Ca 0.13 0.08 0.07 0.00 -1.10 0.00 0.00 62.75 61.94 2dlv n ILE 97 Cb 0.63 -0.73 -0.12 0.00 -0.84 0.00 0.00 39.64 38.58 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 -1.26 0.03 -1.41 9.51 5.66 -1.26 -4.48 114.28 121.07 2dlv n THR 98 Ca 0.10 -0.35 0.05 0.00 -3.05 0.00 0.00 64.05 60.80 2dlv n THR 98 Cb 0.16 0.13 0.20 0.00 -1.55 0.00 0.00 70.33 69.27 2dlv n THR 98 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2dlv n GLN 99 N -2.04 1.65 -2.20 1.09 7.27 -1.06 -5.04 117.38 117.04 2dlv n GLN 99 Ca -0.03 -3.09 -0.42 0.00 0.07 0.00 0.00 57.00 53.52 2dlv n GLN 99 Cb 0.41 -1.65 -0.03 0.00 2.41 0.00 0.00 30.24 31.39 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2dlv s PRO 100 N -3.14 4.33 0.53 3.69 0.04 -0.83 -5.03 135.00 134.59 2dlv s PRO 100 Ca 0.38 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.53 2dlv s PRO 100 Cb 0.36 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.63 2dlv s PRO 100 CO -0.02 -0.44 0.57 0.95 0.04 0.00 0.00 177.00 178.10 2dlv s THR 101 N 1.30 2.11 0.59 1.26 -4.23 -1.26 -4.81 115.64 110.60 2dlv s THR 101 Ca 0.64 -1.23 0.29 0.00 -1.18 0.00 0.00 61.69 60.21 2dlv s THR 101 Cb -0.35 -2.34 0.36 0.00 1.34 0.00 0.00 72.50 71.50 2dlv s THR 101 CO 0.30 0.00 2.16 -0.07 -0.54 0.00 0.00 174.62 176.46 2dlv h LEU 102 N 0.55 0.00 -3.37 4.79 3.38 -1.96 0.22 115.31 118.92 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 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2dlv h LEU 102 CO 0.49 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.02 2dlv n HIS 103 N -3.82 1.69 -0.02 1.13 1.44 -1.26 -4.50 115.22 109.88 2dlv n HIS 103 Ca -0.00 -0.71 -0.13 0.00 -2.01 0.00 0.00 57.72 54.88 2dlv n HIS 103 Cb 0.24 -0.38 -0.09 0.00 0.12 0.00 0.00 29.99 29.88 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 3.68 0.12 0.00 4.39 0.87 -0.92 -2.84 113.55 118.84 2dlv h SER 104 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2dlv h SER 104 Cb 1.70 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2dlv h SER 104 CO 0.36 0.53 0.00 0.49 -0.53 0.00 0.00 176.83 177.68 2dlv n PHE 105 N -4.79 0.00 0.14 2.24 3.72 -1.26 -3.99 117.46 113.52 2dlv n PHE 105 Ca -0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 2dlv n PHE 105 Cb 0.26 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.30 0.28 4.37 1.82 -1.79 -2.12 116.42 118.67 2dlv h ASP 106 Ca 0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 2dlv h ASP 106 Cb 0.30 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2dlv h ASP 106 CO 0.00 -0.00 -0.13 0.00 -1.61 0.00 0.00 179.24 177.49 2dlv h ALA 107 N 0.03 -0.38 -0.95 -0.78 0.00 -1.79 -2.96 119.26 112.44 2dlv h ALA 107 Ca -0.04 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 54.96 2dlv h ALA 107 Cb 0.44 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 2dlv h ALA 107 CO 0.06 -0.58 0.47 0.00 0.00 0.00 0.00 179.25 179.20 2dlv h ALA 108 N -0.01 1.62 -0.39 0.00 0.00 -1.79 0.14 119.26 118.83 2dlv h ALA 108 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dlv h ALA 108 Cb 0.45 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2dlv h ALA 108 CO 0.06 -0.38 0.25 0.37 0.00 0.00 0.00 179.25 179.56 2dlv h GLN 109 N 0.42 0.50 -0.98 0.00 4.15 -1.27 -2.37 115.11 115.55 2dlv h GLN 109 Ca 0.62 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 60.08 2dlv h GLN 109 Cb 1.23 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 2dlv h GLN 109 CO -0.54 0.33 0.63 1.03 -1.93 0.00 0.00 178.83 178.34 2dlv h SER 110 N 0.51 0.99 0.70 -0.69 0.87 -0.58 0.23 113.55 115.59 2dlv h SER 110 Ca 0.14 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2dlv h SER 110 Cb -0.05 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2dlv h SER 110 CO -0.04 0.62 -0.34 -0.09 -0.53 0.00 0.00 176.83 176.46 2dlv h ARG 111 N 1.12 -0.91 0.06 2.24 9.65 -0.93 -2.93 114.38 122.68 2dlv h ARG 111 Ca 0.43 0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.37 2dlv h ARG 111 Cb 0.20 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2dlv h ARG 111 CO -0.18 -0.60 -0.03 0.28 2.80 0.00 0.00 179.97 182.24 2dlv h VAL 112 N -0.97 0.98 -0.89 0.20 2.07 -1.16 -2.24 116.25 114.23 2dlv h VAL 112 Ca -0.10 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.46 2dlv h VAL 112 Cb 0.73 1.05 -0.15 0.00 -1.52 0.00 0.00 31.29 31.40 2dlv h VAL 112 CO 0.16 0.03 -0.32 0.00 0.02 0.00 0.00 177.57 177.46 2dlv n TYR 113 N -5.10 0.09 -0.03 1.57 4.19 0.79 -0.00 117.16 118.67 2dlv n TYR 113 Ca -0.08 1.09 -0.12 0.00 3.31 0.00 0.00 57.90 62.10 2dlv n TYR 113 Cb 0.08 -0.87 -0.07 0.00 0.49 0.00 0.00 39.34 38.96 2dlv n TYR 113 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 2dlv h GLN 114 N 0.00 0.17 -1.00 2.98 1.08 -1.39 -2.93 115.11 114.02 2dlv h GLN 114 Ca 0.34 -0.06 0.41 0.00 -1.45 0.00 0.00 58.65 57.88 2dlv h GLN 114 Cb 0.56 -0.01 -0.18 0.00 -0.05 0.00 0.00 27.48 27.80 2dlv h GLN 114 CO -0.89 0.47 0.54 -0.07 -0.95 0.00 0.00 178.83 177.93 2dlv h LEU 115 N -0.14 0.34 0.10 1.46 3.38 0.20 0.65 115.31 121.29 2dlv h LEU 115 Ca 0.02 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2dlv h LEU 115 Cb 0.40 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dlv h LEU 115 CO 0.01 -0.41 -0.05 0.24 0.09 0.00 0.00 178.44 178.32 2dlv h MET 116 N 0.04 -0.13 -1.36 1.13 2.86 -1.21 -3.28 114.93 112.97 2dlv h MET 116 Ca 0.84 0.01 0.47 0.00 -2.06 0.00 0.00 59.70 58.95 2dlv h MET 116 Cb 2.18 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 33.74 2dlv h MET 116 CO -0.75 -0.09 0.88 -1.91 1.06 0.00 0.00 176.91 176.10 2dlv n GLU 117 N -2.92 -0.03 0.00 1.72 0.00 -0.63 0.19 120.64 118.96 2dlv n GLU 117 Ca -0.02 1.20 0.00 0.00 0.00 0.00 0.00 57.16 58.35 2dlv n GLU 117 Cb 0.05 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.10 2dlv n GLU 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2dlv n GLN 118 N -4.61 0.00 -0.01 5.31 1.13 0.12 -3.81 117.38 115.51 2dlv n GLN 118 Ca 0.39 0.88 -0.02 0.00 -1.94 0.00 0.00 57.00 56.32 2dlv n GLN 118 Cb 1.54 -1.41 -0.01 0.00 0.11 0.00 0.00 30.24 30.47 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2dlv n ASP 119 N -2.59 3.94 -0.15 1.08 8.00 -0.64 -4.52 116.55 121.68 2dlv n ASP 119 Ca 0.00 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 2dlv n ASP 119 Cb 0.00 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dlv h SER 120 N 0.00 -1.42 0.95 -2.24 0.02 -0.46 0.20 113.55 110.60 2dlv h SER 120 Ca -0.06 0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2dlv h SER 120 Cb 1.10 0.63 0.01 0.00 0.14 0.00 0.00 62.40 64.28 2dlv h SER 120 CO -0.01 -0.36 -0.46 0.22 -1.14 0.00 0.00 176.83 175.09 2dlv h TYR 121 N -0.29 -1.18 -0.87 3.45 3.20 -1.59 0.11 116.97 119.80 2dlv h TYR 121 Ca 0.15 -0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.21 2dlv h TYR 121 Cb 0.57 0.39 -0.16 0.00 1.54 0.00 0.00 36.73 39.08 2dlv h TYR 121 CO -0.64 -0.73 0.00 1.79 -1.64 0.00 0.00 178.16 176.94 2dlv h THR 122 N -1.28 0.19 0.08 1.81 1.35 -1.56 0.52 112.91 114.02 2dlv h THR 122 Ca -0.13 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2dlv h THR 122 Cb 0.98 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2dlv h THR 122 CO 0.21 0.01 -0.04 0.03 -0.25 0.00 0.00 175.52 175.49 2dlv h ARG 123 N 0.07 -0.11 -1.00 4.72 -0.00 -0.45 -3.09 114.38 114.51 2dlv h ARG 123 Ca 0.49 0.01 0.24 0.00 -0.50 0.00 0.00 59.98 60.22 2dlv h ARG 123 Cb 0.93 0.02 -0.12 0.00 0.00 0.00 0.00 29.97 30.80 2dlv h ARG 123 CO -0.79 0.25 0.60 0.35 0.00 0.00 0.00 179.97 180.38 2dlv h PHE 124 N -0.48 1.01 -0.26 3.04 3.57 0.11 0.75 116.94 124.69 2dlv h PHE 124 Ca -0.01 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2dlv h PHE 124 Cb 0.41 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2dlv h PHE 124 CO 0.05 0.07 0.21 -0.07 -2.23 0.00 0.00 178.31 176.33 2dlv h LEU 125 N 0.59 0.00 -3.02 0.59 3.38 -0.90 -0.39 115.31 115.55 2dlv h LEU 125 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2dlv h LEU 125 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dlv h LEU 125 CO -0.47 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.35 2dlv n LYS 126 N -4.20 2.51 -2.83 1.13 2.85 0.23 -4.79 118.16 113.06 2dlv n LYS 126 Ca 0.03 -2.17 -0.42 0.00 -1.05 0.00 0.00 58.31 54.70 2dlv n LYS 126 Cb 0.36 -1.35 -0.04 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.67 6.76 0.30 -5.58 1.04 0.80 -4.90 113.70 110.46 2dlv s SER 127 Ca 0.22 0.80 0.23 0.00 0.48 0.00 0.00 55.95 57.68 2dlv s SER 127 Cb 0.17 -2.46 1.01 0.00 0.10 0.00 0.00 66.02 64.84 2dlv s SER 127 CO 0.06 -0.72 1.05 0.47 0.98 0.00 0.00 173.24 175.08 2dlv n ASP 128 N 6.45 0.13 0.36 7.02 8.00 -1.26 0.11 116.55 137.36 2dlv n ASP 128 Ca 0.07 0.91 -0.18 0.00 0.71 0.00 0.00 54.79 56.30 2dlv n ASP 128 Cb 0.48 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.23 -0.46 0.53 2.04 -1.90 0.70 117.51 118.65 2dlv h ILE 129 Ca 0.59 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.51 2dlv h ILE 129 Cb 1.95 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 2dlv h ILE 129 CO -0.29 0.00 0.17 0.22 0.00 0.00 0.00 178.15 178.24 2dlv h TYR 130 N -0.96 0.29 -0.40 1.37 3.20 0.55 0.36 116.97 121.38 2dlv h TYR 130 Ca -0.08 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2dlv h TYR 130 Cb 0.77 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2dlv h TYR 130 CO -0.09 0.11 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.40 2dlv h LEU 131 N 0.34 0.67 0.50 2.82 3.38 -1.32 -3.16 115.31 118.54 2dlv h LEU 131 Ca 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dlv h LEU 131 Cb 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2dlv h LEU 131 CO -0.22 0.78 -0.24 0.44 0.09 0.00 0.00 178.44 179.29 2dlv h ASP 132 N 0.64 -0.57 -0.78 -0.43 5.19 0.14 0.47 116.42 121.07 2dlv h ASP 132 Ca 0.12 0.01 0.32 0.00 -0.62 0.00 0.00 57.03 56.86 2dlv h ASP 132 Cb 0.50 0.15 -0.14 0.00 0.18 0.00 0.00 39.33 40.01 2dlv h ASP 132 CO 0.03 -0.15 0.39 0.00 -3.12 0.00 0.00 179.24 176.38 2dlv n LEU 133 N -5.22 0.24 -0.01 1.55 -0.00 0.12 0.12 117.00 113.80 2dlv n LEU 133 Ca -0.08 1.30 -0.18 0.00 -0.00 0.00 0.00 56.01 57.04 2dlv n LEU 133 Cb 0.27 -0.62 -0.14 0.00 -0.00 0.00 0.00 43.42 42.93 2dlv n LEU 133 CO 0.21 -1.44 -0.76 1.15 -0.00 0.00 0.00 177.39 176.54 2dlv n MET 134 N -4.79 0.73 -3.84 1.47 0.00 -1.20 -4.16 117.12 105.32 2dlv n MET 134 Ca 0.29 0.26 -0.25 0.00 0.00 0.00 0.00 57.70 58.00 2dlv n MET 134 Cb 0.97 -1.72 0.02 0.00 0.00 0.00 0.00 33.22 32.48 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 -3.36 -2.06 -4.81 3.17 2.88 0.32 -4.94 113.62 104.83 2dlv n SER 135 Ca -0.29 -0.86 -0.32 0.00 -1.33 0.00 0.00 58.87 56.07 2dlv n SER 135 Cb 1.05 -3.73 0.01 0.00 -0.75 0.00 0.00 64.21 60.79 2dlv n SER 135 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlv s GLY 136 N -4.03 2.07 0.00 0.46 0.00 -1.25 -4.90 107.32 99.67 2dlv s GLY 136 Ca 0.22 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2dlv s GLY 136 CO 0.84 0.66 0.39 -1.55 0.00 0.00 0.00 173.10 173.43 2dlv n PRO 137 N -2.11 0.49 0.37 2.90 -0.04 -1.26 -3.83 135.00 131.52 2dlv n PRO 137 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2dlv n PRO 137 Cb 0.53 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 2dlv n PRO 137 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dlv h SER 138 N 0.22 -0.76 -0.98 3.54 0.02 -1.99 -2.97 113.55 110.62 2dlv h SER 138 Ca 0.00 0.01 0.22 0.00 -0.84 0.00 0.00 61.79 61.18 2dlv h SER 138 Cb 0.10 0.20 -0.18 0.00 0.14 0.00 0.00 62.40 62.66 2dlv h SER 138 CO 0.00 -0.52 -0.16 0.28 -1.14 0.00 0.00 176.83 175.28 2dlv h SER 139 N -0.94 -0.78 0.00 3.07 0.02 -1.99 -3.56 113.55 109.37 2dlv h SER 139 Ca -0.09 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2dlv h SER 139 Cb 0.70 0.57 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2dlv h SER 139 CO 0.15 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.12