#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 6.59 -0.08 1.61 0.01 -1.26 -5.01 113.70 115.56 2dlv s SER 2 Ca 0.00 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.68 2dlv s SER 2 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2dlv s SER 2 CO 0.00 -1.31 -0.20 -0.94 0.41 0.00 0.00 173.24 171.19 2dlv s SER 3 N 2.58 3.44 -0.11 2.44 1.04 -1.26 -4.89 113.70 116.94 2dlv s SER 3 Ca 0.47 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 2dlv s SER 3 Cb -0.07 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2dlv s SER 3 CO 0.31 0.23 0.02 0.61 0.98 0.00 0.00 173.24 175.39 2dlv n GLY 4 N 3.06 -1.37 3.78 7.32 0.00 -1.26 -4.91 105.19 111.81 2dlv n GLY 4 Ca -0.18 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2dlv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlv s SER 5 N -1.23 7.21 -0.17 1.61 0.01 -1.26 -5.00 113.70 114.87 2dlv s SER 5 Ca 0.01 1.87 -0.13 0.00 1.31 0.00 0.00 55.95 59.01 2dlv s SER 5 Cb -0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 2dlv s SER 5 CO 0.28 -0.16 -0.19 -1.20 0.41 0.00 0.00 173.24 172.38 2dlv n SER 6 N 0.38 1.86 0.00 2.44 7.64 -1.26 -5.02 113.62 119.66 2dlv n SER 6 Ca 0.03 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2dlv n SER 6 Cb 0.50 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2dlv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlv n GLY 7 N 1.53 2.98 3.43 0.23 0.00 -1.26 -4.89 105.19 107.22 2dlv n GLY 7 Ca -0.15 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 2dlv n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlv s SER 8 N 0.00 3.42 0.51 1.61 1.04 -1.26 -5.03 113.70 113.99 2dlv s SER 8 Ca 0.00 -0.92 0.30 0.00 0.48 0.00 0.00 55.95 55.81 2dlv s SER 8 Cb 0.00 -0.26 1.26 0.00 0.10 0.00 0.00 66.02 67.12 2dlv s SER 8 CO 0.00 0.08 1.95 1.55 0.98 0.00 0.00 173.24 177.80 2dlv h PRO 9 N 2.91 0.00 -0.20 4.02 0.13 -1.91 -2.44 132.00 134.51 2dlv h PRO 9 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 2dlv h PRO 9 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dlv h PRO 9 CO 0.52 0.09 -0.57 1.05 -0.23 0.00 0.00 178.00 178.86 2dlv h GLU 10 N 0.00 0.63 0.09 0.86 4.11 -1.98 -2.40 114.58 115.89 2dlv h GLU 10 Ca -0.00 -0.41 -0.14 0.00 0.07 0.00 0.00 59.36 58.88 2dlv h GLU 10 Cb 0.56 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.88 2dlv h GLU 10 CO 0.01 1.03 -0.59 1.05 0.07 0.00 0.00 179.01 180.58 2dlv h GLU 11 N 0.48 0.24 0.27 1.06 4.11 -1.95 -3.29 114.58 115.50 2dlv h GLU 11 Ca 0.00 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 59.06 2dlv h GLU 11 Cb 1.14 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2dlv h GLU 11 CO 0.11 1.16 -0.34 0.00 0.07 0.00 0.00 179.01 180.01 2dlv h ALA 12 N 0.11 -0.68 -1.01 1.06 0.00 -1.51 -0.14 119.26 117.08 2dlv h ALA 12 Ca -0.10 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.03 2dlv h ALA 12 Cb 1.43 0.51 -0.14 0.00 0.00 0.00 0.00 17.79 19.59 2dlv h ALA 12 CO 0.11 -0.93 0.59 -0.24 0.00 0.00 0.00 179.25 178.78 2dlv h VAL 13 N -0.66 0.32 -0.09 0.00 3.04 -1.58 0.18 116.25 117.46 2dlv h VAL 13 Ca -0.01 -0.12 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 2dlv h VAL 13 Cb 0.63 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 2dlv h VAL 13 CO -0.11 0.06 -0.31 0.11 -1.01 0.00 0.00 177.57 176.32 2dlv h LYS 14 N 0.34 0.36 -0.99 4.17 1.57 -1.44 -3.23 116.57 117.35 2dlv h LYS 14 Ca 0.73 -0.27 0.35 0.00 -1.87 0.00 0.00 60.65 59.58 2dlv h LYS 14 Cb 1.67 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.85 2dlv h LYS 14 CO -0.58 0.90 0.36 -1.49 -0.57 0.00 0.00 179.45 178.07 2dlv h TRP 15 N -0.10 0.53 -0.84 -1.35 6.55 0.12 1.05 115.95 121.90 2dlv h TRP 15 Ca -0.01 0.05 0.08 0.00 0.95 0.00 0.00 58.89 59.96 2dlv h TRP 15 Cb 0.94 -0.07 -0.06 0.00 -0.86 0.00 0.00 29.16 29.11 2dlv h TRP 15 CO 0.12 -0.41 0.55 0.78 -1.05 0.00 0.00 178.44 178.43 2dlv h GLY 16 N 0.06 1.18 -0.89 1.49 0.00 -1.52 -2.91 103.07 100.48 2dlv h GLY 16 Ca 0.74 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.81 2dlv h GLY 16 CO -0.79 0.23 -0.46 1.18 0.00 0.00 0.00 176.54 176.70 2dlv n GLU 17 N -4.50 -0.32 -3.76 4.80 -0.58 0.36 -4.63 120.64 112.00 2dlv n GLU 17 Ca 0.13 1.35 -0.13 0.00 -0.42 0.00 0.00 57.16 58.10 2dlv n GLU 17 Cb 0.27 -2.00 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 2dlv n GLU 17 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dlv s SER 18 N -5.40 -0.18 0.57 1.62 0.15 -1.10 -5.02 113.70 104.34 2dlv s SER 18 Ca -0.11 0.07 0.27 0.00 0.70 0.00 0.00 55.95 56.88 2dlv s SER 18 Cb 0.13 0.31 1.55 0.00 -1.71 0.00 0.00 66.02 66.29 2dlv s SER 18 CO 0.58 -0.45 2.04 0.15 1.20 0.00 0.00 173.24 176.77 2dlv h PHE 19 N 3.87 0.00 0.30 3.44 3.57 -1.82 -2.11 116.94 124.18 2dlv h PHE 19 Ca -0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 2dlv h PHE 19 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2dlv h PHE 19 CO 0.53 0.00 -0.15 0.22 -2.23 0.00 0.00 178.31 176.68 2dlv h ASP 20 N 0.00 -0.34 -0.82 0.41 1.82 -1.96 -3.01 116.42 112.52 2dlv h ASP 20 Ca 0.14 -0.18 0.20 0.00 -0.39 0.00 0.00 57.03 56.80 2dlv h ASP 20 Cb 0.70 0.09 -0.14 0.00 0.68 0.00 0.00 39.33 40.66 2dlv h ASP 20 CO -0.00 0.04 0.07 0.11 -1.61 0.00 0.00 179.24 177.85 2dlv h LYS 21 N -0.77 0.12 -0.41 0.28 6.56 -1.65 0.22 116.57 120.93 2dlv h LYS 21 Ca -0.04 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.60 2dlv h LYS 21 Cb 0.51 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.09 2dlv h LYS 21 CO 0.07 0.08 0.11 1.25 -2.06 0.00 0.00 179.45 178.90 2dlv h LEU 22 N 0.13 0.07 0.24 2.94 5.85 -1.53 -2.86 115.31 120.15 2dlv h LEU 22 Ca 0.47 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 2dlv h LEU 22 Cb 0.88 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2dlv h LEU 22 CO -0.69 0.08 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.30 2dlv h LEU 23 N 0.25 -0.28 -0.72 2.25 3.38 -0.57 -3.08 115.31 116.54 2dlv h LEU 23 Ca 0.19 -0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2dlv h LEU 23 Cb 0.21 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.90 2dlv h LEU 23 CO -0.23 0.01 0.13 -0.24 0.09 0.00 0.00 178.44 178.20 2dlv n SER 24 N -5.12 0.02 -4.84 -0.43 2.88 0.40 -4.23 113.62 102.29 2dlv n SER 24 Ca -0.09 1.22 -0.32 0.00 -1.33 0.00 0.00 58.87 58.34 2dlv n SER 24 Cb 0.23 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 63.14 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 -5.47 3.37 -0.09 0.66 5.65 -1.15 -5.02 115.29 113.24 2dlv s HIS 25 Ca -0.08 1.37 -0.10 0.00 0.25 0.00 0.00 55.06 56.49 2dlv s HIS 25 Cb 0.22 -2.67 -0.08 0.00 -1.18 0.00 0.00 32.58 28.88 2dlv s HIS 25 CO 0.56 -0.05 0.34 -0.09 -0.65 0.00 0.00 174.74 174.85 2dlv h ARG 26 N 1.88 -0.10 -0.71 2.88 9.65 -1.83 -2.91 114.38 123.24 2dlv h ARG 26 Ca -0.48 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.54 2dlv h ARG 26 Cb 1.18 0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.65 2dlv h ARG 26 CO 0.63 0.16 -0.28 -0.44 2.80 0.00 0.00 179.97 182.84 2dlv h ASP 27 N -1.00 -0.99 -0.85 -3.80 5.19 -1.91 0.26 116.42 113.32 2dlv h ASP 27 Ca -0.01 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 2dlv h ASP 27 Cb 0.31 0.55 -0.04 0.00 0.18 0.00 0.00 39.33 40.33 2dlv h ASP 27 CO 0.02 -0.28 0.49 1.23 -3.12 0.00 0.00 179.24 177.58 2dlv h GLY 28 N -0.07 1.25 0.78 2.75 0.00 -1.77 -2.70 103.07 103.31 2dlv h GLY 28 Ca 0.30 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2dlv h GLY 28 CO -0.76 0.52 -0.16 -2.00 0.00 0.00 0.00 176.54 174.14 2dlv h LEU 29 N 1.19 -0.39 -0.40 3.11 5.85 -0.43 -2.35 115.31 121.89 2dlv h LEU 29 Ca 0.30 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2dlv h LEU 29 Cb -0.01 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 2dlv h LEU 29 CO -0.05 -0.10 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.15 2dlv h GLU 30 N -0.68 -0.34 -0.18 1.25 5.08 -0.60 -1.74 114.58 117.38 2dlv h GLU 30 Ca -0.05 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2dlv h GLU 30 Cb 0.48 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2dlv h GLU 30 CO 0.08 -0.23 -0.31 0.00 -1.00 0.00 0.00 179.01 177.55 2dlv h ALA 31 N 0.29 -0.32 -0.93 3.43 0.00 -1.51 -1.95 119.26 118.26 2dlv h ALA 31 Ca 0.12 0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.24 2dlv h ALA 31 Cb 0.59 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 2dlv h ALA 31 CO -0.58 -0.77 -0.27 0.35 0.00 0.00 0.00 179.25 177.98 2dlv h PHE 32 N -0.36 -0.63 0.17 0.00 3.57 -0.76 -0.56 116.94 118.37 2dlv h PHE 32 Ca 0.11 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2dlv h PHE 32 Cb 0.53 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2dlv h PHE 32 CO -0.42 -0.40 -0.48 1.15 -2.23 0.00 0.00 178.31 175.93 2dlv h THR 33 N -0.01 0.00 -0.89 4.41 2.02 -0.82 -2.51 112.91 115.11 2dlv h THR 33 Ca 0.42 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.73 2dlv h THR 33 Cb 0.66 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.93 2dlv h THR 33 CO -0.96 0.00 -0.37 0.54 0.37 0.00 0.00 175.52 175.10 2dlv n ARG 34 N -5.22 -0.23 -0.29 6.66 1.74 -0.25 0.13 116.66 119.20 2dlv n ARG 34 Ca -0.08 1.37 0.11 0.00 -0.77 0.00 0.00 57.85 58.47 2dlv n ARG 34 Cb 0.39 -2.02 0.26 0.00 -1.02 0.00 0.00 32.46 30.07 2dlv n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2dlv h PHE 35 N 0.00 0.48 -0.09 -1.55 3.57 -1.15 -0.65 116.94 117.54 2dlv h PHE 35 Ca 0.29 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 2dlv h PHE 35 Cb 0.51 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2dlv h PHE 35 CO -0.80 -0.09 -0.35 -0.07 -2.23 0.00 0.00 178.31 174.77 2dlv h LEU 36 N 0.32 0.47 -0.80 0.59 3.38 0.13 -3.24 115.31 116.16 2dlv h LEU 36 Ca 0.51 -0.62 0.16 0.00 0.09 0.00 0.00 57.88 58.03 2dlv h LEU 36 Cb 0.96 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.42 2dlv h LEU 36 CO -0.55 1.01 -0.18 0.11 0.09 0.00 0.00 178.44 178.92 2dlv h LYS 37 N -0.04 0.01 -0.92 1.13 1.57 0.10 0.61 116.57 119.02 2dlv h LYS 37 Ca -0.02 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2dlv h LYS 37 Cb 0.98 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 2dlv h LYS 37 CO 0.07 0.00 0.60 1.79 -0.57 0.00 0.00 179.45 181.35 2dlv h THR 38 N 0.01 1.14 -0.41 -0.16 1.35 -1.44 -0.04 112.91 113.34 2dlv h THR 38 Ca 0.39 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2dlv h THR 38 Cb 0.61 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2dlv h THR 38 CO -0.82 0.21 0.00 -0.62 -0.25 0.00 0.00 175.52 174.04 2dlv n GLU 39 N -4.45 2.57 -3.00 4.72 -0.58 0.17 -4.90 120.64 115.18 2dlv n GLU 39 Ca 0.13 -1.74 -0.20 0.00 -0.42 0.00 0.00 57.16 54.93 2dlv n GLU 39 Cb 0.12 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.65 -1.69 0.60 -0.32 3.72 0.11 -4.81 117.46 115.72 2dlv n PHE 40 Ca 0.16 0.32 0.07 0.00 -0.05 0.00 0.00 57.45 57.95 2dlv n PHE 40 Cb 0.56 -3.17 -0.08 0.00 -0.94 0.00 0.00 39.48 35.84 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 -2.17 0.77 -0.31 4.37 7.64 0.22 -4.56 113.62 119.58 2dlv n SER 41 Ca -0.08 -0.75 0.17 0.00 1.01 0.00 0.00 58.87 59.22 2dlv n SER 41 Cb 0.58 1.07 0.35 0.00 -1.01 0.00 0.00 64.21 65.20 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 0.17 -1.14 1.43 -0.00 -1.83 0.29 114.58 113.51 2dlv h GLU 42 Ca 0.00 -0.01 0.33 0.00 -0.00 0.00 0.00 59.36 59.68 2dlv h GLU 42 Cb 0.37 -0.04 -0.05 0.00 -0.00 0.00 0.00 28.75 29.04 2dlv h GLU 42 CO 0.00 0.11 1.11 -0.85 -0.00 0.00 0.00 179.01 179.38 2dlv n GLU 43 N -5.24 0.01 0.17 1.06 0.28 -1.26 0.45 120.64 116.10 2dlv n GLU 43 Ca 0.25 0.89 -0.08 0.00 -0.16 0.00 0.00 57.16 58.07 2dlv n GLU 43 Cb 0.81 -2.17 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 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 -0.42 0.04 -1.84 4.21 -0.71 -3.28 115.58 113.58 2dlv h ASN 44 Ca 0.54 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.99 2dlv h ASN 44 Cb 2.75 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 40.04 2dlv h ASN 44 CO -0.01 0.01 -0.23 -0.29 -1.29 0.00 0.00 177.43 175.62 2dlv h ILE 45 N -1.13 1.24 -0.86 2.81 6.09 -0.16 -2.98 117.51 122.52 2dlv h ILE 45 Ca -0.05 -1.13 0.22 0.00 -1.37 0.00 0.00 64.86 62.53 2dlv h ILE 45 Cb 0.38 1.36 -0.13 0.00 0.47 0.00 0.00 36.82 38.91 2dlv h ILE 45 CO 0.08 0.35 0.29 -0.33 -3.07 0.00 0.00 178.15 175.47 2dlv h GLU 46 N 0.29 0.28 -0.16 2.19 5.08 -0.58 0.05 114.58 121.73 2dlv h GLU 46 Ca 0.05 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2dlv h GLU 46 Cb 0.58 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2dlv h GLU 46 CO 0.04 0.19 -0.19 0.35 -1.00 0.00 0.00 179.01 178.39 2dlv h PHE 47 N 0.29 0.50 -0.79 4.33 3.57 -1.58 -2.98 116.94 120.29 2dlv h PHE 47 Ca 0.53 -0.16 0.19 0.00 3.53 0.00 0.00 57.97 62.06 2dlv h PHE 47 Cb 1.04 -0.10 -0.13 0.00 2.79 0.00 0.00 35.95 39.54 2dlv h PHE 47 CO -0.21 0.81 0.07 2.35 -2.23 0.00 0.00 178.31 179.10 2dlv h TRP 48 N 0.05 0.07 -0.16 0.41 7.01 -1.01 0.08 115.95 122.39 2dlv h TRP 48 Ca 0.02 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2dlv h TRP 48 Cb 0.74 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 2dlv h TRP 48 CO 0.09 -0.22 0.05 0.82 -2.79 0.00 0.00 178.44 176.38 2dlv h ILE 49 N 0.14 1.18 -0.85 2.65 2.04 -1.38 -2.95 117.51 118.35 2dlv h ILE 49 Ca 0.45 -0.57 0.20 0.00 1.00 0.00 0.00 64.86 65.93 2dlv h ILE 49 Cb 0.82 1.26 -0.12 0.00 -0.74 0.00 0.00 36.82 38.04 2dlv h ILE 49 CO -0.65 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.02 2dlv h ALA 50 N 0.87 1.29 -0.24 1.87 0.00 -0.85 -0.53 119.26 121.66 2dlv h ALA 50 Ca 0.05 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2dlv h ALA 50 Cb 0.23 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2dlv h ALA 50 CO -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 179.25 178.86 2dlv h GLU 52 N -0.04 -0.48 -0.33 0.00 4.39 -1.09 -1.83 114.58 115.18 2dlv h GLU 52 Ca 0.12 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2dlv h GLU 52 Cb 0.23 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2dlv h GLU 52 CO -0.27 -0.32 0.17 0.22 -1.16 0.00 0.00 179.01 177.65 2dlv h ASP 53 N -0.50 0.40 -0.40 1.42 1.82 -1.11 -1.74 116.42 116.30 2dlv h ASP 53 Ca 0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2dlv h ASP 53 Cb 0.51 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 2dlv h ASP 53 CO -0.12 0.33 0.26 0.15 -1.61 0.00 0.00 179.24 178.25 2dlv h PHE 54 N 0.46 0.51 -0.23 0.28 3.57 0.59 -2.47 116.94 119.65 2dlv h PHE 54 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2dlv h PHE 54 Cb 0.03 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2dlv h PHE 54 CO 0.00 0.33 -0.15 0.87 -2.23 0.00 0.00 178.31 177.13 2dlv h LYS 55 N 0.55 0.50 -0.91 1.11 1.57 -0.75 -3.12 116.57 115.52 2dlv h LYS 55 Ca 0.15 -0.24 0.37 0.00 -1.87 0.00 0.00 60.65 59.06 2dlv h LYS 55 Cb -0.05 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.10 2dlv h LYS 55 CO -0.03 0.80 0.51 1.63 -0.57 0.00 0.00 179.45 181.79 2dlv n LYS 56 N -4.47 -0.05 -1.60 3.15 5.02 -0.93 -4.46 118.16 114.82 2dlv n LYS 56 Ca -0.05 1.18 -0.41 0.00 -2.02 0.00 0.00 58.31 57.01 2dlv n LYS 56 Cb 0.37 -2.14 0.01 0.00 -0.02 0.00 0.00 35.03 33.25 2dlv n LYS 56 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2dlv n SER 57 N -4.87 1.04 -0.01 4.39 7.64 -1.18 -4.93 113.62 115.69 2dlv n SER 57 Ca 0.33 1.01 -0.02 0.00 1.01 0.00 0.00 58.87 61.20 2dlv n SER 57 Cb 1.15 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.11 2.25 -2.37 1.43 0.00 -1.26 -5.02 118.16 113.30 2dlv n LYS 58 Ca 0.10 0.01 -0.27 0.00 -0.00 0.00 0.00 58.31 58.15 2dlv n LYS 58 Cb 0.40 -1.07 0.03 0.00 -0.00 0.00 0.00 35.03 34.39 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 -3.71 1.61 -0.02 2.58 0.00 -1.26 -5.03 107.32 101.49 2dlv s GLY 59 Ca -0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 2dlv s GLY 59 CO 0.10 -0.40 1.19 -0.56 0.00 0.00 0.00 173.10 173.42 2dlv h PRO 60 N -0.20 -0.12 -0.08 2.90 0.13 -2.00 -3.27 132.00 129.36 2dlv h PRO 60 Ca -0.45 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2dlv h PRO 60 Cb 1.26 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2dlv h PRO 60 CO 0.61 0.32 -0.05 1.96 -0.23 0.00 0.00 178.00 180.61 2dlv h GLN 61 N -0.61 -0.00 -0.92 0.86 4.20 -2.00 -0.06 115.11 116.57 2dlv h GLN 61 Ca -0.01 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.85 2dlv h GLN 61 Cb 0.50 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.12 2dlv h GLN 61 CO 0.02 -0.00 -0.33 0.94 -0.67 0.00 0.00 178.83 178.79 2dlv n GLN 62 N -3.16 -0.18 -0.13 1.46 -0.06 -1.26 0.08 117.38 114.14 2dlv n GLN 62 Ca 0.00 1.42 -0.07 0.00 -2.00 0.00 0.00 57.00 56.35 2dlv n GLN 62 Cb 0.02 -2.12 -0.01 0.00 -4.06 0.00 0.00 30.24 24.08 2dlv n GLN 62 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2dlv h ILE 63 N 0.00 0.24 0.36 1.69 2.04 -1.09 0.17 117.51 120.93 2dlv h ILE 63 Ca 0.35 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 2dlv h ILE 63 Cb 0.58 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2dlv h ILE 63 CO -0.92 0.00 -0.18 0.45 0.00 0.00 0.00 178.15 177.49 2dlv h HIS 64 N -0.23 -0.47 -0.09 1.37 3.86 0.51 0.21 115.15 120.31 2dlv h HIS 64 Ca 0.18 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2dlv h HIS 64 Cb 0.53 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 2dlv h HIS 64 CO -0.54 -0.29 -0.50 -0.07 0.86 0.00 0.00 177.93 177.39 2dlv h LEU 65 N -0.50 -1.57 0.37 2.43 3.38 -0.34 -1.26 115.31 117.82 2dlv h LEU 65 Ca -0.05 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dlv h LEU 65 Cb 0.39 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2dlv h LEU 65 CO 0.07 -0.48 -0.26 0.11 0.09 0.00 0.00 178.44 177.96 2dlv h LYS 66 N -0.59 -0.60 -0.99 1.13 1.57 -0.64 -1.98 116.57 114.48 2dlv h LYS 66 Ca 0.04 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.08 2dlv h LYS 66 Cb 0.68 0.14 -0.19 0.00 0.08 0.00 0.00 32.23 32.94 2dlv h LYS 66 CO -0.40 -0.40 -0.19 0.00 -0.57 0.00 0.00 179.45 177.89 2dlv h ALA 67 N -0.06 0.76 0.05 3.86 0.00 -0.23 0.39 119.26 124.02 2dlv h ALA 67 Ca -0.03 0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dlv h ALA 67 Cb 0.53 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dlv h ALA 67 CO 0.01 -0.42 -0.02 -0.22 0.00 0.00 0.00 179.25 178.59 2dlv h LYS 68 N 0.00 -0.06 0.46 0.00 3.64 -0.95 0.56 116.57 120.22 2dlv h LYS 68 Ca 0.50 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.88 2dlv h LYS 68 Cb 0.83 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2dlv h LYS 68 CO -1.00 0.14 -0.47 0.00 -2.27 0.00 0.00 179.45 175.85 2dlv h ALA 69 N 0.68 -1.05 -0.73 5.00 0.00 0.20 -1.62 119.26 121.75 2dlv h ALA 69 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2dlv h ALA 69 Cb 0.23 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2dlv h ALA 69 CO 0.01 -1.13 0.48 0.82 0.00 0.00 0.00 179.25 179.43 2dlv h ILE 70 N -0.94 1.04 0.09 0.00 2.04 -0.46 -1.69 117.51 117.59 2dlv h ILE 70 Ca -0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2dlv h ILE 70 Cb 0.83 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2dlv h ILE 70 CO -0.07 0.15 -0.06 0.22 0.00 0.00 0.00 178.15 178.38 2dlv h TYR 71 N 0.80 -0.17 0.00 1.37 5.03 -0.33 0.16 116.97 123.83 2dlv h TYR 71 Ca 0.31 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.62 2dlv h TYR 71 Cb 0.21 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2dlv h TYR 71 CO -0.00 -0.09 0.00 0.39 -1.32 0.00 0.00 178.16 177.14 2dlv n GLU 72 N -2.58 0.18 -0.10 1.82 1.02 -0.66 0.04 120.64 120.35 2dlv n GLU 72 Ca -0.02 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 2dlv n GLU 72 Cb 0.06 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.04 0.54 -0.01 3.49 4.81 -0.64 -4.32 118.16 120.98 2dlv n LYS 73 Ca 0.04 0.48 -0.02 0.00 -0.87 0.00 0.00 58.31 57.94 2dlv n LYS 73 Cb 0.03 -1.66 -0.01 0.00 0.02 0.00 0.00 35.03 33.40 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 -4.44 0.00 0.00 5.64 3.01 0.47 -2.66 117.46 119.47 2dlv n PHE 74 Ca -0.29 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.16 2dlv n PHE 74 Cb 0.61 -0.10 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2dlv n PHE 74 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2dlv h ILE 75 N -0.05 0.00 -3.14 4.37 1.08 -0.38 -3.17 117.51 116.22 2dlv h ILE 75 Ca -0.06 0.00 -0.58 0.00 -0.39 0.00 0.00 64.86 63.83 2dlv h ILE 75 Cb 1.07 0.00 0.15 0.00 -3.07 0.00 0.00 36.82 34.98 2dlv h ILE 75 CO -0.03 0.00 -0.05 0.00 -0.69 0.00 0.00 178.15 177.39 2dlv n GLN 76 N -2.56 0.91 0.04 2.37 10.64 0.91 -4.87 117.38 124.82 2dlv n GLN 76 Ca -0.00 0.34 -0.15 0.00 -1.83 0.00 0.00 57.00 55.36 2dlv n GLN 76 Cb 0.01 -1.95 -0.05 0.00 -0.86 0.00 0.00 30.24 27.40 2dlv n GLN 76 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2dlv h THR 77 N 0.78 1.35 0.00 -0.39 2.02 -1.90 -3.08 112.91 111.69 2dlv h THR 77 Ca -0.46 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.45 2dlv h THR 77 Cb 1.37 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 2dlv h THR 77 CO 0.52 0.69 0.00 -0.67 0.37 0.00 0.00 175.52 176.43 2dlv n ASP 78 N -3.82 0.48 -4.85 4.18 2.03 -1.26 -4.78 116.55 108.54 2dlv n ASP 78 Ca -0.07 -1.28 -0.35 0.00 0.52 0.00 0.00 54.79 53.61 2dlv n ASP 78 Cb 0.81 -0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dlv s ALA 79 N -1.24 3.58 0.20 -1.67 0.00 -1.16 -4.98 121.76 116.48 2dlv s ALA 79 Ca 0.00 -0.17 0.26 0.00 0.00 0.00 0.00 51.96 52.06 2dlv s ALA 79 Cb 0.00 -2.50 1.10 0.00 0.00 0.00 0.00 23.12 21.73 2dlv s ALA 79 CO 0.00 0.47 1.90 -1.00 0.00 0.00 0.00 175.76 177.13 2dlv h PRO 80 N 3.40 0.00 -0.14 0.00 0.13 -1.82 -2.89 132.00 130.68 2dlv h PRO 80 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dlv h PRO 80 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dlv h PRO 80 CO 0.66 0.17 0.00 1.63 -0.23 0.00 0.00 178.00 180.24 2dlv n LYS 81 N -3.40 2.28 -1.57 0.86 4.76 -1.09 -5.03 118.16 114.98 2dlv n LYS 81 Ca -0.00 -2.53 -0.53 0.00 -2.87 0.00 0.00 58.31 52.38 2dlv n LYS 81 Cb 0.37 -1.57 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 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 -0.78 1.27 -2.72 1.97 -0.00 -1.09 -4.48 120.64 114.80 2dlv n GLU 82 Ca 0.16 0.41 -0.22 0.00 -0.00 0.00 0.00 57.16 57.51 2dlv n GLU 82 Cb 0.68 -2.35 0.09 0.00 -0.00 0.00 0.00 31.44 29.86 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 5.51 2.15 -0.58 3.84 -7.23 -1.20 -5.00 120.40 117.89 2dlv s VAL 83 Ca 1.03 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 60.21 2dlv s VAL 83 Cb -0.92 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 33.61 2dlv s VAL 83 CO 0.55 0.00 1.41 0.20 -0.31 0.00 0.00 175.10 176.95 2dlv s ASN 84 N -4.71 6.12 -0.01 4.85 0.01 -1.26 -4.95 114.94 114.98 2dlv s ASN 84 Ca 0.65 0.23 0.05 0.00 -0.71 0.00 0.00 52.86 53.08 2dlv s ASN 84 Cb -0.05 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2dlv s ASN 84 CO 0.43 -1.73 -0.17 -0.76 -1.51 0.00 0.00 177.10 173.36 2dlv s LEU 85 N 6.07 2.03 0.46 0.60 1.43 -1.26 -4.76 118.68 123.25 2dlv s LEU 85 Ca 0.51 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.05 2dlv s LEU 85 Cb -0.10 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.14 2dlv s LEU 85 CO 0.24 0.21 1.32 -0.62 0.23 0.00 0.00 176.35 177.73 2dlv s ASP 86 N -0.40 5.94 0.19 2.29 -1.08 -1.26 -4.80 116.67 117.55 2dlv s ASP 86 Ca 0.07 2.67 -0.20 0.00 -0.52 0.00 0.00 52.55 54.57 2dlv s ASP 86 Cb -0.07 -2.63 0.14 0.00 -1.46 0.00 0.00 42.92 38.90 2dlv s ASP 86 CO -0.01 -1.11 1.58 0.15 0.52 0.00 0.00 175.17 176.31 2dlv h PHE 87 N 2.19 -0.93 0.09 -5.34 3.57 -2.00 -0.26 116.94 114.26 2dlv h PHE 87 Ca -0.50 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.10 2dlv h PHE 87 Cb 1.26 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 40.46 2dlv h PHE 87 CO 0.51 -0.38 -0.33 1.25 -2.23 0.00 0.00 178.31 177.12 2dlv h HIS 88 N -0.14 -0.91 -0.86 0.41 2.76 -1.98 0.25 115.15 114.68 2dlv h HIS 88 Ca 0.25 0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.64 2dlv h HIS 88 Cb 0.56 0.39 -0.12 0.00 1.55 0.00 0.00 27.41 29.79 2dlv h HIS 88 CO -0.66 -0.43 0.37 1.15 -1.30 0.00 0.00 177.93 177.06 2dlv h THR 89 N -0.54 0.54 -0.22 6.26 2.02 -1.60 0.46 112.91 119.83 2dlv h THR 89 Ca 0.04 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2dlv h THR 89 Cb 0.58 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2dlv h THR 89 CO -0.21 0.08 -0.19 0.11 0.37 0.00 0.00 175.52 175.68 2dlv h LYS 90 N 0.43 0.51 0.47 6.66 1.57 -0.31 -2.97 116.57 122.94 2dlv h LYS 90 Ca 0.52 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2dlv h LYS 90 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2dlv h LYS 90 CO -0.49 0.83 -0.23 1.49 -0.57 0.00 0.00 179.45 180.49 2dlv h GLU 91 N 0.20 -0.61 -0.94 3.15 4.81 0.11 -1.51 114.58 119.80 2dlv h GLU 91 Ca 0.04 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.55 2dlv h GLU 91 Cb 0.72 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 30.07 2dlv h GLU 91 CO 0.05 -0.41 -0.05 1.55 -0.73 0.00 0.00 179.01 179.42 2dlv n VAL 92 N -4.02 -0.39 -0.09 0.32 3.14 0.15 0.19 118.33 117.62 2dlv n VAL 92 Ca -0.08 2.08 -0.05 0.00 -2.96 0.00 0.00 64.34 63.33 2dlv n VAL 92 Cb 0.25 -3.00 0.14 0.00 -1.06 0.00 0.00 33.84 30.18 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 1.25 -0.75 1.55 2.04 -1.49 0.25 117.51 120.35 2dlv h ILE 93 Ca 0.53 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 65.37 2dlv h ILE 93 Cb 1.03 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 2dlv h ILE 93 CO -0.90 0.38 0.40 0.74 0.00 0.00 0.00 178.15 178.77 2dlv h THR 94 N 0.70 0.88 0.06 -0.27 2.02 0.32 0.67 112.91 117.28 2dlv h THR 94 Ca 0.12 -0.23 -0.29 0.00 0.77 0.00 0.00 66.41 66.78 2dlv h THR 94 Cb 0.55 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2dlv h THR 94 CO 0.03 0.12 -1.57 0.78 0.37 0.00 0.00 175.52 175.25 2dlv h ASN 95 N 0.68 0.20 -0.31 4.18 2.35 -1.22 -3.31 115.58 118.16 2dlv h ASN 95 Ca 0.36 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2dlv h ASN 95 Cb 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2dlv h ASN 95 CO -0.25 1.28 0.00 -0.24 -1.65 0.00 0.00 177.43 176.57 2dlv n SER 96 N -3.30 3.13 0.09 5.81 2.88 0.85 -4.05 113.62 119.02 2dlv n SER 96 Ca -0.16 -2.38 0.12 0.00 -1.33 0.00 0.00 58.87 55.12 2dlv n SER 96 Cb 1.03 -0.53 0.45 0.00 -0.75 0.00 0.00 64.21 64.42 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 0.37 0.68 0.22 2.46 0.13 0.23 -1.76 119.36 121.70 2dlv n ILE 97 Ca 0.14 0.05 0.07 0.00 -1.10 0.00 0.00 62.75 61.91 2dlv n ILE 97 Cb 0.65 -0.88 -0.10 0.00 -0.84 0.00 0.00 39.64 38.47 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 -2.03 0.00 -1.41 9.51 5.66 -1.26 -4.46 114.28 120.29 2dlv n THR 98 Ca 0.04 -0.28 0.05 0.00 -3.05 0.00 0.00 64.05 60.81 2dlv n THR 98 Cb 0.29 0.45 0.20 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.78 1.65 -1.54 1.09 1.13 -1.13 -5.06 117.38 111.75 2dlv n GLN 99 Ca -0.01 -3.09 -0.32 0.00 -1.94 0.00 0.00 57.00 51.64 2dlv n GLN 99 Cb 0.32 -1.65 0.07 0.00 0.11 0.00 0.00 30.24 29.09 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2dlv s PRO 100 N -3.14 2.56 0.36 -1.09 0.04 -0.72 -5.02 135.00 128.00 2dlv s PRO 100 Ca 0.38 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2dlv s PRO 100 Cb 0.36 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 2dlv s PRO 100 CO -0.02 -1.42 0.16 0.95 0.04 0.00 0.00 177.00 176.71 2dlv s THR 101 N -2.59 0.43 0.23 1.26 -4.23 -1.26 -4.95 115.64 104.54 2dlv s THR 101 Ca 0.64 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.43 2dlv s THR 101 Cb -0.19 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.50 2dlv s THR 101 CO 0.48 0.00 1.94 -0.07 -0.54 0.00 0.00 174.62 176.43 2dlv h LEU 102 N 1.98 0.00 -3.25 4.79 3.38 -1.96 -2.36 115.31 117.88 2dlv h LEU 102 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2dlv h LEU 102 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2dlv h LEU 102 CO 0.52 0.15 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2dlv n HIS 103 N -3.40 1.35 0.00 1.13 1.44 -1.26 -4.63 115.22 109.84 2dlv n HIS 103 Ca -0.00 -0.71 0.00 0.00 -2.01 0.00 0.00 57.72 55.00 2dlv n HIS 103 Cb 0.34 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.14 2dlv n HIS 103 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2dlv n SER 104 N 0.42 0.00 -0.55 4.39 2.88 -0.89 -4.21 113.62 115.67 2dlv n SER 104 Ca 0.23 0.31 0.44 0.00 -1.33 0.00 0.00 58.87 58.53 2dlv n SER 104 Cb 0.91 -0.47 0.75 0.00 -0.75 0.00 0.00 64.21 64.65 2dlv n SER 104 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2dlv h PHE 105 N 0.00 0.20 -0.86 0.66 0.04 -1.82 0.46 116.94 115.61 2dlv h PHE 105 Ca 0.00 0.01 0.33 0.00 2.80 0.00 0.00 57.97 61.10 2dlv h PHE 105 Cb 0.00 -0.05 -0.16 0.00 2.20 0.00 0.00 35.95 37.94 2dlv h PHE 105 CO 0.00 -0.08 0.33 -3.47 -0.60 0.00 0.00 178.31 174.50 2dlv n ASP 106 N -4.26 0.18 0.37 2.17 2.03 -1.26 0.34 116.55 116.12 2dlv n ASP 106 Ca 0.39 1.44 -0.18 0.00 0.52 0.00 0.00 54.79 56.96 2dlv n ASP 106 Cb 1.68 -0.65 -0.09 0.00 -0.72 0.00 0.00 41.12 41.34 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 1.73 -0.94 -0.77 -1.67 0.00 -1.14 -2.57 119.26 113.90 2dlv h ALA 107 Ca 0.67 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.47 2dlv h ALA 107 Cb 1.69 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 2dlv h ALA 107 CO -0.71 -1.03 0.42 0.00 0.00 0.00 0.00 179.25 177.93 2dlv h ALA 108 N -0.62 1.08 -0.56 0.00 0.00 -0.31 -2.01 119.26 116.85 2dlv h ALA 108 Ca -0.09 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2dlv h ALA 108 Cb 0.73 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2dlv h ALA 108 CO 0.12 0.04 0.03 0.37 0.00 0.00 0.00 179.25 179.81 2dlv h GLN 109 N 0.71 0.14 -1.00 0.00 4.15 -0.96 -0.07 115.11 118.09 2dlv h GLN 109 Ca 0.37 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.87 2dlv h GLN 109 Cb 0.34 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.93 2dlv h GLN 109 CO -0.25 0.09 0.63 1.03 -1.93 0.00 0.00 178.83 178.41 2dlv h SER 110 N 0.15 0.97 0.14 -0.69 0.87 -0.96 0.21 113.55 114.24 2dlv h SER 110 Ca 0.29 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2dlv h SER 110 Cb 0.44 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2dlv h SER 110 CO -0.45 0.57 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.11 2dlv h ARG 111 N 1.07 -0.41 0.03 2.24 1.12 -0.87 -1.84 114.38 115.72 2dlv h ARG 111 Ca 0.46 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.36 2dlv h ARG 111 Cb 0.33 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 2dlv h ARG 111 CO -0.22 -0.27 -0.01 0.28 -3.11 0.00 0.00 179.97 176.63 2dlv h VAL 112 N -0.43 1.23 -0.88 0.20 2.07 -1.08 -2.16 116.25 115.20 2dlv h VAL 112 Ca 0.02 -0.83 0.22 0.00 0.82 0.00 0.00 66.70 66.93 2dlv h VAL 112 Cb 0.44 1.79 -0.16 0.00 -1.52 0.00 0.00 31.29 31.84 2dlv h VAL 112 CO -0.11 0.21 0.01 0.22 0.02 0.00 0.00 177.57 177.93 2dlv h TYR 113 N -0.40 -0.05 0.01 1.57 5.03 -0.51 0.30 116.97 122.91 2dlv h TYR 113 Ca -0.00 0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 2dlv h TYR 113 Cb 0.38 0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2dlv h TYR 113 CO 0.05 -0.33 -0.00 1.96 -1.32 0.00 0.00 178.16 178.51 2dlv h GLN 114 N 0.06 -0.01 -0.84 1.82 1.08 -1.30 -2.60 115.11 113.32 2dlv h GLN 114 Ca 0.51 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.88 2dlv h GLN 114 Cb 0.97 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.24 2dlv h GLN 114 CO -0.80 0.45 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.27 2dlv h LEU 115 N -0.47 -0.73 0.68 1.46 3.38 -0.30 -1.21 115.31 118.11 2dlv h LEU 115 Ca -0.00 0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dlv h LEU 115 Cb 0.46 0.51 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dlv h LEU 115 CO 0.00 -0.27 -0.33 0.24 0.09 0.00 0.00 178.44 178.17 2dlv h MET 116 N 0.01 -0.88 -1.83 1.13 2.86 -1.26 -2.87 114.93 112.09 2dlv h MET 116 Ca 0.41 0.06 0.53 0.00 -2.06 0.00 0.00 59.70 58.64 2dlv h MET 116 Cb 0.65 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.44 2dlv h MET 116 CO -0.85 -0.58 1.35 -1.91 1.06 0.00 0.00 176.91 175.97 2dlv n GLU 117 N -4.97 0.00 0.00 1.72 2.13 -0.74 0.41 120.64 119.20 2dlv n GLU 117 Ca -0.11 1.03 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2dlv n GLU 117 Cb 0.36 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.68 2dlv n GLU 117 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2dlv n GLN 118 N -3.78 0.00 -0.01 5.31 6.02 -0.54 -4.18 117.38 120.20 2dlv n GLN 118 Ca 0.41 0.65 -0.02 0.00 -0.01 0.00 0.00 57.00 58.04 2dlv n GLN 118 Cb 1.90 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 31.66 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2dlv n ASP 119 N -2.28 3.96 -0.20 1.08 5.75 -0.32 -4.51 116.55 120.04 2dlv n ASP 119 Ca 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 54.79 54.75 2dlv n ASP 119 Cb 0.00 0.09 0.05 0.00 -1.03 0.00 0.00 41.12 40.23 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dlv h SER 120 N 0.00 -0.66 0.80 -1.12 0.02 -0.28 0.48 113.55 112.79 2dlv h SER 120 Ca -0.06 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2dlv h SER 120 Cb 1.10 0.41 0.01 0.00 0.14 0.00 0.00 62.40 64.05 2dlv h SER 120 CO -0.01 -0.22 -0.38 0.22 -1.14 0.00 0.00 176.83 175.30 2dlv h TYR 121 N -0.04 -0.99 -1.01 3.45 3.20 -1.57 -0.15 116.97 119.86 2dlv h TYR 121 Ca 0.28 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.39 2dlv h TYR 121 Cb 0.47 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.99 2dlv h TYR 121 CO -0.52 -0.61 0.67 1.79 -1.64 0.00 0.00 178.16 177.86 2dlv h THR 122 N -1.26 0.55 -0.01 1.81 1.35 -1.62 -0.68 112.91 113.06 2dlv h THR 122 Ca -0.11 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2dlv h THR 122 Cb 0.83 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2dlv h THR 122 CO 0.18 0.06 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.39 2dlv h ARG 123 N 0.32 0.03 -0.63 4.72 2.43 0.12 -3.13 114.38 118.23 2dlv h ARG 123 Ca 0.55 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.88 2dlv h ARG 123 Cb 1.53 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.06 2dlv h ARG 123 CO -0.21 0.65 0.55 0.35 -1.51 0.00 0.00 179.97 179.80 2dlv h PHE 124 N -0.59 0.00 -0.00 2.20 3.57 0.50 0.55 116.94 123.16 2dlv h PHE 124 Ca -0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2dlv h PHE 124 Cb 0.66 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2dlv h PHE 124 CO 0.15 0.00 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.49 2dlv h LEU 125 N 0.00 0.03 -3.28 0.59 3.38 -1.34 -3.00 115.31 111.68 2dlv h LEU 125 Ca 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2dlv h LEU 125 Cb 1.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2dlv h LEU 125 CO -0.00 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.50 2dlv n LYS 126 N -3.76 3.89 -3.39 1.13 5.02 0.18 -4.57 118.16 116.66 2dlv n LYS 126 Ca -0.01 -2.91 -0.39 0.00 -2.02 0.00 0.00 58.31 52.98 2dlv n LYS 126 Cb 0.65 -1.95 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.08 6.27 0.26 4.39 1.04 -0.47 -4.95 113.70 119.17 2dlv s SER 127 Ca 0.49 0.31 0.12 0.00 0.48 0.00 0.00 55.95 57.35 2dlv s SER 127 Cb 0.34 -2.21 0.88 0.00 0.10 0.00 0.00 66.02 65.13 2dlv s SER 127 CO 0.18 -0.18 1.15 0.47 0.98 0.00 0.00 173.24 175.85 2dlv n ASP 128 N 5.28 0.17 -0.05 7.02 9.92 -1.26 0.72 116.55 138.36 2dlv n ASP 128 Ca -0.08 1.22 -0.11 0.00 -0.53 0.00 0.00 54.79 55.29 2dlv n ASP 128 Cb 0.51 -0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 40.38 2dlv n ASP 128 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2dlv h ILE 129 N 0.00 0.16 -0.29 0.53 2.04 -1.92 -1.67 117.51 116.36 2dlv h ILE 129 Ca 0.58 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.34 2dlv h ILE 129 Cb 1.47 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2dlv h ILE 129 CO -0.59 0.00 -0.19 0.22 0.00 0.00 0.00 178.15 177.58 2dlv h TYR 130 N -0.41 0.76 -1.24 1.37 5.03 0.12 -3.01 116.97 119.59 2dlv h TYR 130 Ca 0.11 -0.20 0.37 0.00 2.58 0.00 0.00 58.73 61.58 2dlv h TYR 130 Cb 0.59 -0.17 -0.10 0.00 1.55 0.00 0.00 36.73 38.61 2dlv h TYR 130 CO -0.52 0.90 0.83 -0.07 -1.32 0.00 0.00 178.16 177.98 2dlv h LEU 131 N 0.39 0.25 -0.03 2.82 3.38 -0.69 0.20 115.31 121.64 2dlv h LEU 131 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2dlv h LEU 131 Cb 0.73 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dlv h LEU 131 CO 0.05 -0.04 -0.09 -0.78 0.09 0.00 0.00 178.44 177.67 2dlv h ASP 132 N 0.17 0.13 -0.90 -0.43 3.58 -1.18 0.21 116.42 118.00 2dlv h ASP 132 Ca 0.70 -0.61 0.27 0.00 0.42 0.00 0.00 57.03 57.80 2dlv h ASP 132 Cb 2.22 -0.04 -0.17 0.00 1.72 0.00 0.00 39.33 43.06 2dlv h ASP 132 CO -0.27 0.72 0.08 0.18 -2.88 0.00 0.00 179.24 177.08 2dlv n LEU 133 N -4.68 -0.05 -0.03 2.28 4.77 0.71 -0.35 117.00 119.65 2dlv n LEU 133 Ca -0.08 1.53 -0.16 0.00 -0.03 0.00 0.00 56.01 57.26 2dlv n LEU 133 Cb 0.36 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 2dlv n LEU 133 CO 0.36 -1.57 -0.83 1.15 -1.33 0.00 0.00 177.39 175.17 2dlv n MET 134 N -5.29 0.70 -3.94 3.23 0.00 -1.16 -4.65 117.12 106.01 2dlv n MET 134 Ca 0.23 0.24 -0.30 0.00 0.00 0.00 0.00 57.70 57.86 2dlv n MET 134 Cb 0.76 -1.69 0.02 0.00 0.00 0.00 0.00 33.22 32.31 2dlv n MET 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2dlv n SER 135 N -3.27 -4.24 -5.02 3.17 3.41 0.72 -4.92 113.62 103.47 2dlv n SER 135 Ca -0.30 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.28 2dlv n SER 135 Cb 1.05 -3.72 0.06 0.00 -0.26 0.00 0.00 64.21 61.33 2dlv n SER 135 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dlv s GLY 136 N -3.41 1.81 0.00 5.00 0.00 -1.26 -4.96 107.32 104.49 2dlv s GLY 136 Ca 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2dlv s GLY 136 CO 0.84 -1.75 0.45 -1.55 0.00 0.00 0.00 173.10 171.09 2dlv n PRO 137 N -2.22 0.49 -0.10 2.90 -0.04 -1.26 -3.43 135.00 131.33 2dlv n PRO 137 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2dlv n PRO 137 Cb 0.62 -1.04 0.05 0.00 -0.04 0.00 0.00 33.50 33.10 2dlv n PRO 137 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dlv n SER 138 N -0.38 1.38 -0.11 3.54 2.88 -1.26 -3.74 113.62 115.93 2dlv n SER 138 Ca 0.00 -2.10 -0.24 0.00 -1.33 0.00 0.00 58.87 55.20 2dlv n SER 138 Cb 0.02 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 62.95 2dlv n SER 138 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dlv n SER 139 N 0.02 1.90 -0.14 -3.46 7.64 -1.22 -5.09 113.62 113.26 2dlv n SER 139 Ca 0.04 0.38 0.02 0.00 1.01 0.00 0.00 58.87 60.32 2dlv n SER 139 Cb 0.31 -0.91 0.01 0.00 -1.01 0.00 0.00 64.21 62.61 2dlv n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64