#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlv h SER 2 N 0.00 -0.17 -2.96 1.61 0.87 -2.06 -3.44 113.55 107.41 2dlv h SER 2 Ca 0.00 -0.37 -0.53 0.00 -1.23 0.00 0.00 61.79 59.66 2dlv h SER 2 Cb 0.00 0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2dlv h SER 2 CO 0.00 0.36 0.78 -0.55 -0.53 0.00 0.00 176.83 176.89 2dlv s SER 3 N -5.48 6.74 -0.14 6.23 0.15 -1.26 -4.92 113.70 115.02 2dlv s SER 3 Ca -0.14 2.43 -0.07 0.00 0.70 0.00 0.00 55.95 58.88 2dlv s SER 3 Cb 0.01 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 2dlv s SER 3 CO 0.52 -0.71 -0.18 0.61 1.20 0.00 0.00 173.24 174.68 2dlv n GLY 4 N 3.53 -0.23 3.83 9.45 0.00 -1.26 -5.06 105.19 115.46 2dlv n GLY 4 Ca 0.12 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.25 5.07 -0.34 1.61 0.01 -1.26 -5.10 113.70 107.44 2dlv s SER 5 Ca -0.20 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.32 2dlv s SER 5 Cb 0.08 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2dlv s SER 5 CO 0.25 -0.43 0.20 -0.94 0.41 0.00 0.00 173.24 172.73 2dlv s SER 6 N -4.00 5.75 0.85 2.44 1.04 -1.26 -4.96 113.70 113.56 2dlv s SER 6 Ca 0.42 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 2dlv s SER 6 Cb -0.04 -2.05 0.13 0.00 0.10 0.00 0.00 66.02 64.16 2dlv s SER 6 CO 0.26 -0.27 1.20 -0.83 0.98 0.00 0.00 173.24 174.59 2dlv s GLY 7 N 1.63 1.69 -0.02 7.32 0.00 -1.19 -5.10 107.32 111.65 2dlv s GLY 7 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2dlv s GLY 7 CO 0.08 -0.37 -0.09 -0.56 0.00 0.00 0.00 173.10 172.16 2dlv s SER 8 N -4.70 1.16 0.00 1.64 0.01 -1.26 -4.96 113.70 105.59 2dlv s SER 8 Ca 0.67 -0.18 0.15 0.00 1.31 0.00 0.00 55.95 57.89 2dlv s SER 8 Cb -0.08 -0.22 0.74 0.00 0.21 0.00 0.00 66.02 66.68 2dlv s SER 8 CO 0.50 0.09 1.40 -0.81 0.41 0.00 0.00 173.24 174.83 2dlv n PRO 9 N 3.06 0.21 0.00 12.44 -0.04 -1.26 -1.52 135.00 147.90 2dlv n PRO 9 Ca -0.16 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 2dlv n PRO 9 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2dlv n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dlv n GLU 10 N -1.28 0.76 -0.09 0.54 4.07 -1.26 -3.80 120.64 119.58 2dlv n GLU 10 Ca 0.07 0.26 -0.18 0.00 -0.06 0.00 0.00 57.16 57.26 2dlv n GLU 10 Cb 0.12 -1.71 -0.12 0.00 -0.06 0.00 0.00 31.44 29.67 2dlv n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2dlv h GLU 11 N 0.07 0.00 -0.84 5.31 4.39 -1.94 -3.30 114.58 118.26 2dlv h GLU 11 Ca -0.43 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.46 2dlv h GLU 11 Cb 2.03 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.57 2dlv h GLU 11 CO 0.09 0.99 0.34 0.00 -1.16 0.00 0.00 179.01 179.27 2dlv h ALA 12 N -0.23 1.26 -1.00 3.43 0.00 -1.51 0.22 119.26 121.43 2dlv h ALA 12 Ca -0.16 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dlv h ALA 12 Cb 1.14 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2dlv h ALA 12 CO -0.10 -0.29 0.66 -0.24 0.00 0.00 0.00 179.25 179.28 2dlv h VAL 13 N 0.41 1.23 -0.15 0.00 3.04 -1.71 -2.70 116.25 116.37 2dlv h VAL 13 Ca 0.50 -0.46 -0.15 0.00 -1.01 0.00 0.00 66.70 65.59 2dlv h VAL 13 Cb 0.87 -0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2dlv h VAL 13 CO -0.49 0.24 -0.48 0.11 -1.01 0.00 0.00 177.57 175.95 2dlv h LYS 14 N 1.33 0.58 -0.80 4.17 1.57 -0.83 -3.27 116.57 119.33 2dlv h LYS 14 Ca 0.38 -0.43 0.17 0.00 -1.87 0.00 0.00 60.65 58.89 2dlv h LYS 14 Cb -0.11 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.13 2dlv h LYS 14 CO -0.09 1.05 -0.15 -1.49 -0.57 0.00 0.00 179.45 178.20 2dlv h TRP 15 N 0.23 -0.33 -0.94 -1.35 6.55 -0.38 0.41 115.95 120.14 2dlv h TRP 15 Ca -0.02 0.07 0.12 0.00 0.95 0.00 0.00 58.89 60.01 2dlv h TRP 15 Cb 1.10 0.27 -0.07 0.00 -0.86 0.00 0.00 29.16 29.60 2dlv h TRP 15 CO 0.10 -0.33 0.60 0.78 -1.05 0.00 0.00 178.44 178.54 2dlv h GLY 16 N 0.02 1.42 -0.89 1.49 0.00 -1.57 -2.36 103.07 101.18 2dlv h GLY 16 Ca 0.40 -0.37 0.25 0.00 0.00 0.00 0.00 47.33 47.60 2dlv h GLY 16 CO -0.79 0.16 0.02 1.18 0.00 0.00 0.00 176.54 177.10 2dlv n GLU 17 N -4.57 -0.07 -3.53 4.80 -0.58 0.15 -4.66 120.64 112.17 2dlv n GLU 17 Ca 0.17 1.33 -0.10 0.00 -0.42 0.00 0.00 57.16 58.14 2dlv n GLU 17 Cb 0.37 -2.12 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 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 -5.00 -0.48 0.22 1.62 0.15 -0.89 -5.03 113.70 104.28 2dlv s SER 18 Ca -0.12 -0.14 -0.08 0.00 0.70 0.00 0.00 55.95 56.32 2dlv s SER 18 Cb 0.26 0.60 0.17 0.00 -1.71 0.00 0.00 66.02 65.35 2dlv s SER 18 CO 0.69 -1.02 1.81 0.15 1.20 0.00 0.00 173.24 176.08 2dlv h PHE 19 N 2.00 1.17 -0.64 3.44 3.57 -1.83 -2.71 116.94 121.95 2dlv h PHE 19 Ca -0.30 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 2dlv h PHE 19 Cb 1.29 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2dlv h PHE 19 CO 0.28 0.85 0.36 0.22 -2.23 0.00 0.00 178.31 177.79 2dlv h ASP 20 N 1.16 0.80 -0.63 0.41 1.82 -1.97 -2.63 116.42 115.38 2dlv h ASP 20 Ca 0.28 -0.09 0.11 0.00 -0.39 0.00 0.00 57.03 56.94 2dlv h ASP 20 Cb 0.12 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 39.84 2dlv h ASP 20 CO -0.04 0.66 0.20 0.11 -1.61 0.00 0.00 179.24 178.57 2dlv h LYS 21 N 0.88 0.35 0.13 0.28 1.79 -1.73 0.18 116.57 118.45 2dlv h LYS 21 Ca 0.23 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2dlv h LYS 21 Cb 0.03 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2dlv h LYS 21 CO -0.04 0.23 -0.06 1.25 -1.08 0.00 0.00 179.45 179.75 2dlv h LEU 22 N 0.36 -0.15 -0.17 2.94 5.85 -1.37 -3.05 115.31 119.72 2dlv h LEU 22 Ca 0.33 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.04 2dlv h LEU 22 Cb 0.46 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2dlv h LEU 22 CO -0.36 -0.06 0.02 -0.07 -0.34 0.00 0.00 178.44 177.63 2dlv h LEU 23 N -0.22 -0.02 -0.89 2.25 3.38 -1.05 -2.66 115.31 116.10 2dlv h LEU 23 Ca -0.02 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.19 2dlv h LEU 23 Cb 0.18 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 40.80 2dlv h LEU 23 CO 0.03 0.01 -0.11 -0.24 0.09 0.00 0.00 178.44 178.22 2dlv n SER 24 N -5.10 -0.22 -4.77 -0.43 2.88 0.57 -4.17 113.62 102.38 2dlv n SER 24 Ca -0.03 1.53 -0.39 0.00 -1.33 0.00 0.00 58.87 58.65 2dlv n SER 24 Cb 0.09 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 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 -6.01 3.76 0.03 0.66 5.65 -1.00 -5.00 115.29 113.37 2dlv s HIS 25 Ca -0.13 1.35 -0.30 0.00 0.25 0.00 0.00 55.06 56.24 2dlv s HIS 25 Cb 0.25 -2.67 -0.17 0.00 -1.18 0.00 0.00 32.58 28.82 2dlv s HIS 25 CO 0.70 0.40 1.26 -0.09 -0.65 0.00 0.00 174.74 176.36 2dlv h ARG 26 N 5.23 -0.97 -0.95 2.88 2.43 -1.82 -1.98 114.38 119.21 2dlv h ARG 26 Ca -0.46 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 58.91 2dlv h ARG 26 Cb 1.21 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.83 2dlv h ARG 26 CO 0.68 -0.63 -0.40 -3.47 -1.51 0.00 0.00 179.97 174.64 2dlv n ASP 27 N -5.45 -0.67 -0.25 -3.80 -0.08 -1.26 0.39 116.55 105.42 2dlv n ASP 27 Ca -0.13 1.66 -0.06 0.00 -1.51 0.00 0.00 54.79 54.75 2dlv n ASP 27 Cb 0.40 -0.36 0.05 0.00 2.34 0.00 0.00 41.12 43.56 2dlv n ASP 27 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2dlv h GLY 28 N 0.00 1.01 0.96 0.27 0.00 -1.77 -2.82 103.07 100.71 2dlv h GLY 28 Ca 0.30 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2dlv h GLY 28 CO -0.93 0.41 0.07 -2.00 0.00 0.00 0.00 176.54 174.09 2dlv h LEU 29 N 0.94 0.11 -0.16 3.11 5.85 0.73 -2.59 115.31 123.31 2dlv h LEU 29 Ca 0.25 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.02 2dlv h LEU 29 Cb -0.02 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2dlv h LEU 29 CO -0.05 0.09 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.41 2dlv h GLU 30 N 0.15 -0.44 -0.89 1.25 4.39 -0.44 -0.71 114.58 117.90 2dlv h GLU 30 Ca 0.05 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.97 2dlv h GLU 30 Cb 0.00 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 28.64 2dlv h GLU 30 CO -0.03 -0.29 0.45 0.00 -1.16 0.00 0.00 179.01 177.97 2dlv h ALA 31 N 0.21 1.41 0.65 3.43 0.00 -1.38 -2.30 119.26 121.29 2dlv h ALA 31 Ca 0.09 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2dlv h ALA 31 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dlv h ALA 31 CO -0.41 -0.20 -0.39 0.35 0.00 0.00 0.00 179.25 178.60 2dlv h PHE 32 N 0.54 -1.04 -0.92 0.00 3.57 -0.76 -2.81 116.94 115.51 2dlv h PHE 32 Ca 0.52 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.27 2dlv h PHE 32 Cb 0.88 0.37 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2dlv h PHE 32 CO -0.10 -0.59 0.17 1.15 -2.23 0.00 0.00 178.31 176.71 2dlv h THR 33 N -0.98 0.18 0.05 4.41 2.02 -0.80 -0.49 112.91 117.30 2dlv h THR 33 Ca -0.09 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.07 2dlv h THR 33 Cb 0.78 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 2dlv h THR 33 CO 0.10 0.02 -0.52 0.03 0.37 0.00 0.00 175.52 175.52 2dlv h ARG 34 N 0.11 -0.66 -0.91 6.66 3.08 -1.19 0.23 114.38 121.69 2dlv h ARG 34 Ca 0.59 0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.93 2dlv h ARG 34 Cb 1.23 0.15 -0.16 0.00 0.08 0.00 0.00 29.97 31.28 2dlv h ARG 34 CO -0.77 -0.44 0.14 0.35 -1.07 0.00 0.00 179.97 178.18 2dlv h PHE 35 N -0.69 0.17 -0.17 3.04 3.57 -0.90 0.22 116.94 122.17 2dlv h PHE 35 Ca 0.00 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2dlv h PHE 35 Cb 0.72 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2dlv h PHE 35 CO -0.49 -0.32 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.15 2dlv h LEU 36 N 0.10 0.35 -0.80 0.59 3.38 -1.08 -3.17 115.31 114.68 2dlv h LEU 36 Ca 0.57 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 58.33 2dlv h LEU 36 Cb 1.18 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 2dlv h LEU 36 CO -0.77 0.65 -0.13 0.11 0.09 0.00 0.00 178.44 178.39 2dlv h LYS 37 N 0.04 0.02 -0.98 1.13 1.57 0.27 0.58 116.57 119.20 2dlv h LYS 37 Ca 0.04 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 2dlv h LYS 37 Cb 0.51 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 2dlv h LYS 37 CO 0.02 0.02 0.63 1.79 -0.57 0.00 0.00 179.45 181.33 2dlv h THR 38 N 0.02 0.99 -0.47 -0.16 1.35 -1.38 0.12 112.91 113.39 2dlv h THR 38 Ca 0.41 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2dlv h THR 38 Cb 0.66 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2dlv h THR 38 CO -0.79 0.19 0.00 -0.62 -0.25 0.00 0.00 175.52 174.05 2dlv n GLU 39 N -4.55 2.67 -3.50 4.72 -0.58 0.17 -4.91 120.64 114.65 2dlv n GLU 39 Ca 0.17 -1.94 -0.26 0.00 -0.42 0.00 0.00 57.16 54.71 2dlv n GLU 39 Cb 0.28 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.81 -1.98 -0.38 -0.32 3.72 0.86 -4.83 117.46 115.34 2dlv n PHE 40 Ca 0.18 0.63 0.04 0.00 -0.05 0.00 0.00 57.45 58.25 2dlv n PHE 40 Cb 0.58 -3.55 0.10 0.00 -0.94 0.00 0.00 39.48 35.67 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 2.54 -0.33 4.37 7.64 -0.01 -4.67 113.62 120.64 2dlv n SER 41 Ca -0.01 -2.34 -0.04 0.00 1.01 0.00 0.00 58.87 57.49 2dlv n SER 41 Cb 0.55 -0.21 0.09 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.74 1.21 -0.98 1.43 9.09 -1.84 -2.66 114.58 121.57 2dlv h GLU 42 Ca 0.00 -0.12 0.38 0.00 0.05 0.00 0.00 59.36 59.67 2dlv h GLU 42 Cb 0.77 -0.25 -0.18 0.00 -1.65 0.00 0.00 28.75 27.45 2dlv h GLU 42 CO 0.03 0.86 0.43 -0.85 0.05 0.00 0.00 179.01 179.54 2dlv n GLU 43 N -4.38 -0.06 -0.02 1.06 0.28 -1.26 0.38 120.64 116.63 2dlv n GLU 43 Ca 0.09 1.37 -0.09 0.00 -0.16 0.00 0.00 57.16 58.37 2dlv n GLU 43 Cb 0.07 -2.40 -0.03 0.00 1.43 0.00 0.00 31.44 30.51 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 -0.74 0.14 -1.84 4.21 -1.77 -1.95 115.58 113.63 2dlv h ASN 44 Ca 0.79 0.13 -0.16 0.00 1.21 0.00 0.00 56.30 58.26 2dlv h ASN 44 Cb 2.02 0.34 -0.01 0.00 -1.12 0.00 0.00 38.32 39.55 2dlv h ASN 44 CO -0.78 -0.28 -0.58 -0.29 -1.29 0.00 0.00 177.43 174.20 2dlv h ILE 45 N -0.27 1.34 -0.86 2.81 6.09 -0.25 -3.17 117.51 123.20 2dlv h ILE 45 Ca 0.12 -1.88 0.19 0.00 -1.37 0.00 0.00 64.86 61.92 2dlv h ILE 45 Cb 0.45 1.87 -0.11 0.00 0.47 0.00 0.00 36.82 39.50 2dlv h ILE 45 CO -0.34 0.57 0.38 -0.33 -3.07 0.00 0.00 178.15 175.37 2dlv h GLU 46 N 0.34 0.44 -0.52 2.19 4.39 -0.16 0.74 114.58 122.00 2dlv h GLU 46 Ca -0.00 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2dlv h GLU 46 Cb 1.12 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2dlv h GLU 46 CO 0.10 0.29 -0.00 0.35 -1.16 0.00 0.00 179.01 178.59 2dlv h PHE 47 N 0.45 1.00 -0.81 4.33 3.57 -1.39 -2.41 116.94 121.68 2dlv h PHE 47 Ca 0.52 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.89 2dlv h PHE 47 Cb 0.91 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2dlv h PHE 47 CO -0.14 0.92 0.50 2.35 -2.23 0.00 0.00 178.31 179.72 2dlv h TRP 48 N 0.78 0.93 0.24 0.41 7.01 -0.93 -2.70 115.95 121.69 2dlv h TRP 48 Ca 0.15 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2dlv h TRP 48 Cb 0.53 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2dlv h TRP 48 CO 0.04 0.49 -0.11 0.82 -2.79 0.00 0.00 178.44 176.88 2dlv h ILE 49 N 0.94 0.83 -0.93 2.65 2.04 -1.13 -3.07 117.51 118.83 2dlv h ILE 49 Ca 0.35 -0.49 0.28 0.00 1.00 0.00 0.00 64.86 66.00 2dlv h ILE 49 Cb 0.13 1.11 -0.16 0.00 -0.74 0.00 0.00 36.82 37.16 2dlv h ILE 49 CO -0.16 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.37 2dlv h ALA 50 N 0.12 1.46 -0.21 1.87 0.00 -1.19 0.12 119.26 121.43 2dlv h ALA 50 Ca -0.03 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2dlv h ALA 50 Cb 0.42 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2dlv h ALA 50 CO 0.05 -0.57 -0.25 0.00 0.00 0.00 0.00 179.25 178.48 2dlv h GLU 52 N -0.28 0.15 -0.73 0.00 4.39 -0.81 -0.62 114.58 116.68 2dlv h GLU 52 Ca 0.13 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2dlv h GLU 52 Cb 0.47 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2dlv h GLU 52 CO -0.37 0.10 0.24 0.22 -1.16 0.00 0.00 179.01 178.04 2dlv h ASP 53 N 0.15 1.05 -0.77 1.42 3.58 -1.04 -2.43 116.42 118.38 2dlv h ASP 53 Ca 0.26 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.54 2dlv h ASP 53 Cb 0.39 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2dlv h ASP 53 CO -0.40 0.97 0.50 0.15 -2.88 0.00 0.00 179.24 177.57 2dlv h PHE 54 N 1.08 0.94 -0.38 0.28 3.57 0.90 -2.61 116.94 120.71 2dlv h PHE 54 Ca 0.24 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 2dlv h PHE 54 Cb 0.29 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2dlv h PHE 54 CO 0.02 0.56 0.10 0.87 -2.23 0.00 0.00 178.31 177.63 2dlv h LYS 55 N 0.99 0.61 -1.21 1.11 1.57 -0.92 -2.86 116.57 115.86 2dlv h LYS 55 Ca 0.30 -0.14 0.44 0.00 -1.87 0.00 0.00 60.65 59.38 2dlv h LYS 55 Cb -0.04 -0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.05 2dlv h LYS 55 CO -0.09 0.64 0.75 1.63 -0.57 0.00 0.00 179.45 181.81 2dlv n LYS 56 N -4.59 -0.04 -1.56 3.15 5.02 -0.94 -4.49 118.16 114.72 2dlv n LYS 56 Ca -0.01 1.22 -0.38 0.00 -2.02 0.00 0.00 58.31 57.12 2dlv n LYS 56 Cb 0.20 -2.35 0.04 0.00 -0.02 0.00 0.00 35.03 32.90 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 -4.76 0.14 -0.04 4.39 2.88 -1.08 -4.95 113.62 110.21 2dlv n SER 57 Ca 0.38 0.81 -0.05 0.00 -1.33 0.00 0.00 58.87 58.68 2dlv n SER 57 Cb 1.42 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.49 0.74 -2.76 -1.46 2.85 -1.26 -5.03 118.16 110.75 2dlv n LYS 58 Ca 0.12 0.04 -0.23 0.00 -1.05 0.00 0.00 58.31 57.19 2dlv n LYS 58 Cb 0.46 -1.16 0.02 0.00 -0.65 0.00 0.00 35.03 33.71 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 -4.57 1.64 0.22 2.58 0.00 -1.26 -5.01 107.32 100.91 2dlv s GLY 59 Ca -0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 2dlv s GLY 59 CO 0.20 -0.82 1.58 -0.56 0.00 0.00 0.00 173.10 173.50 2dlv h PRO 60 N 0.18 0.51 -0.12 2.90 0.13 -2.00 -3.28 132.00 130.33 2dlv h PRO 60 Ca -0.45 -0.28 0.01 0.00 -0.87 0.00 0.00 66.00 64.42 2dlv h PRO 60 Cb 1.27 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2dlv h PRO 60 CO 0.57 0.86 -0.12 0.37 -0.23 0.00 0.00 178.00 179.45 2dlv h GLN 61 N 0.42 -0.06 -0.61 0.86 -0.00 -2.00 -0.15 115.11 113.57 2dlv h GLN 61 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.81 2dlv h GLN 61 Cb 0.95 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 28.33 2dlv h GLN 61 CO 0.08 -0.04 -0.09 1.96 0.00 0.00 0.00 178.83 180.74 2dlv h GLN 62 N -0.06 0.04 -0.93 1.69 7.50 -1.99 0.13 115.11 121.48 2dlv h GLN 62 Ca 0.02 -0.00 0.22 0.00 0.50 0.00 0.00 58.65 59.39 2dlv h GLN 62 Cb 0.11 -0.01 -0.12 0.00 0.05 0.00 0.00 27.48 27.51 2dlv h GLN 62 CO -0.14 0.03 0.47 0.82 -1.50 0.00 0.00 178.83 178.50 2dlv h ILE 63 N 0.04 0.53 0.41 2.54 2.04 -1.32 0.57 117.51 122.32 2dlv h ILE 63 Ca 0.30 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2dlv h ILE 63 Cb 0.48 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2dlv h ILE 63 CO -0.59 0.09 -0.20 0.45 0.00 0.00 0.00 178.15 177.91 2dlv h HIS 64 N 0.49 -0.51 0.43 1.37 3.86 0.96 -1.32 115.15 120.43 2dlv h HIS 64 Ca 0.58 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.76 2dlv h HIS 64 Cb 1.06 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 2dlv h HIS 64 CO -0.09 -0.23 -0.49 -0.07 0.86 0.00 0.00 177.93 177.91 2dlv h LEU 65 N -1.07 -1.35 -0.71 2.43 4.07 -0.63 -2.48 115.31 115.56 2dlv h LEU 65 Ca -0.06 0.11 0.13 0.00 0.08 0.00 0.00 57.88 58.14 2dlv h LEU 65 Cb 0.50 0.45 -0.09 0.00 1.08 0.00 0.00 40.66 42.61 2dlv h LEU 65 CO 0.09 -0.62 0.27 0.11 -1.08 0.00 0.00 178.44 177.21 2dlv h LYS 66 N -0.93 0.42 -0.50 1.13 1.57 -0.01 -2.09 116.57 116.16 2dlv h LYS 66 Ca -0.05 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2dlv h LYS 66 Cb 0.82 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.93 2dlv h LYS 66 CO -0.09 0.28 -0.43 0.00 -0.57 0.00 0.00 179.45 178.64 2dlv h ALA 67 N 1.51 -0.36 0.78 3.86 0.00 -0.81 0.12 119.26 124.37 2dlv h ALA 67 Ca 0.38 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2dlv h ALA 67 Cb 0.55 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2dlv h ALA 67 CO -0.38 -0.83 -0.41 0.87 0.00 0.00 0.00 179.25 178.50 2dlv h LYS 68 N -0.27 -1.05 -0.89 0.00 1.57 -0.99 0.48 116.57 115.42 2dlv h LYS 68 Ca 0.16 0.07 0.10 0.00 -1.87 0.00 0.00 60.65 59.11 2dlv h LYS 68 Cb 0.57 0.24 -0.12 0.00 0.08 0.00 0.00 32.23 33.00 2dlv h LYS 68 CO -0.63 -0.70 -0.53 0.00 -0.57 0.00 0.00 179.45 177.02 2dlv h ALA 69 N -1.41 -0.41 -0.72 3.86 0.00 -1.05 0.49 119.26 120.01 2dlv h ALA 69 Ca -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2dlv h ALA 69 Cb 0.85 1.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2dlv h ALA 69 CO 0.15 -0.89 0.28 0.82 0.00 0.00 0.00 179.25 179.61 2dlv h ILE 70 N -0.07 1.25 0.69 0.00 2.04 -0.73 -2.14 117.51 118.55 2dlv h ILE 70 Ca 0.19 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2dlv h ILE 70 Cb 0.48 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2dlv h ILE 70 CO -0.89 0.32 -0.47 0.22 0.00 0.00 0.00 178.15 177.33 2dlv h TYR 71 N 1.04 -1.28 0.00 1.37 3.20 0.31 0.18 116.97 121.79 2dlv h TYR 71 Ca 0.24 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2dlv h TYR 71 Cb 0.22 0.47 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2dlv h TYR 71 CO 0.02 -0.68 0.00 0.39 -1.64 0.00 0.00 178.16 176.24 2dlv n GLU 72 N -5.40 0.26 -0.01 1.82 1.02 0.14 -0.12 120.64 118.34 2dlv n GLU 72 Ca -0.13 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.05 2dlv n GLU 72 Cb 0.47 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.08 0.08 -0.06 3.49 4.81 -0.40 -4.44 118.16 120.56 2dlv n LYS 73 Ca 0.07 0.13 -0.06 0.00 -0.87 0.00 0.00 58.31 57.58 2dlv n LYS 73 Cb 0.04 -0.73 -0.02 0.00 0.02 0.00 0.00 35.03 34.34 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 -2.73 0.13 0.00 5.64 3.72 0.49 -2.39 117.46 122.31 2dlv n PHE 74 Ca -0.02 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2dlv n PHE 74 Cb 0.07 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 -3.88 0.00 -0.85 4.37 2.08 -0.98 -3.30 119.36 116.80 2dlv n ILE 75 Ca -0.09 0.81 -0.33 0.00 0.56 0.00 0.00 62.75 63.70 2dlv n ILE 75 Cb 0.33 -1.11 0.13 0.00 -0.75 0.00 0.00 39.64 38.23 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 -2.06 -0.22 -0.06 0.38 10.64 0.82 -4.77 117.38 122.11 2dlv n GLN 76 Ca 0.00 -0.01 -0.11 0.00 -1.83 0.00 0.00 57.00 55.05 2dlv n GLN 76 Cb 0.00 -2.01 -0.15 0.00 -0.86 0.00 0.00 30.24 27.22 2dlv n GLN 76 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dlv n THR 77 N -3.57 1.54 0.72 -0.39 -1.04 -1.26 -4.09 114.28 106.19 2dlv n THR 77 Ca 0.09 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 2dlv n THR 77 Cb 0.53 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 2dlv n THR 77 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dlv n ASP 78 N -3.01 0.49 -4.88 8.00 2.03 -1.26 -4.71 116.55 113.21 2dlv n ASP 78 Ca -0.27 -1.21 -0.25 0.00 0.52 0.00 0.00 54.79 53.58 2dlv n ASP 78 Cb 1.08 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 41.20 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 -1.19 3.77 0.28 -1.67 0.00 -1.26 -5.02 121.76 116.66 2dlv s ALA 79 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2dlv s ALA 79 Cb 0.00 -1.55 0.42 0.00 0.00 0.00 0.00 23.12 21.98 2dlv s ALA 79 CO 0.00 0.43 1.67 -1.00 0.00 0.00 0.00 175.76 176.86 2dlv h PRO 80 N 1.97 0.21 -0.53 0.00 0.13 -1.85 -2.90 132.00 129.02 2dlv h PRO 80 Ca -0.49 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2dlv h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dlv h PRO 80 CO 0.64 0.64 0.00 1.63 -0.23 0.00 0.00 178.00 180.68 2dlv n LYS 81 N -3.98 4.14 -1.69 0.86 4.76 -1.21 -4.99 118.16 116.05 2dlv n LYS 81 Ca -0.02 -2.99 -0.52 0.00 -2.87 0.00 0.00 58.31 51.91 2dlv n LYS 81 Cb 0.51 -2.05 -0.06 0.00 -1.84 0.00 0.00 35.03 31.60 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 0.57 1.72 -3.40 1.97 -0.00 -1.00 -4.30 120.64 116.20 2dlv n GLU 82 Ca 0.26 0.63 -0.21 0.00 -0.00 0.00 0.00 57.16 57.83 2dlv n GLU 82 Cb 1.03 -2.42 0.01 0.00 -0.00 0.00 0.00 31.44 30.06 2dlv n GLU 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2dlv s VAL 83 N 3.99 2.23 -0.53 3.84 -7.23 -1.21 -4.93 120.40 116.57 2dlv s VAL 83 Ca 0.96 -1.22 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 2dlv s VAL 83 Cb -0.85 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 33.65 2dlv s VAL 83 CO 0.58 0.00 1.31 0.54 -0.31 0.00 0.00 175.10 177.21 2dlv s ASN 84 N -4.39 6.33 0.12 4.85 2.20 -1.26 -4.92 114.94 117.87 2dlv s ASN 84 Ca 0.50 0.35 0.06 0.00 -0.94 0.00 0.00 52.86 52.83 2dlv s ASN 84 Cb -0.05 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.62 2dlv s ASN 84 CO 0.30 -1.53 -0.14 -0.76 -2.94 0.00 0.00 177.10 172.03 2dlv s LEU 85 N 5.39 2.39 0.52 3.54 1.43 -1.26 -4.63 118.68 126.05 2dlv s LEU 85 Ca 0.50 -0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 2dlv s LEU 85 Cb -0.10 -0.56 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 2dlv s LEU 85 CO 0.28 -0.13 1.22 -1.81 0.23 0.00 0.00 176.35 176.14 2dlv s ASP 86 N -2.38 5.66 0.11 2.29 1.11 -1.26 -4.85 116.67 117.35 2dlv s ASP 86 Ca 0.08 2.43 -0.26 0.00 0.18 0.00 0.00 52.55 54.99 2dlv s ASP 86 Cb -0.05 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.25 2dlv s ASP 86 CO 0.03 -1.28 1.66 0.15 1.18 0.00 0.00 175.17 176.91 2dlv h PHE 87 N 1.54 -0.55 -0.73 4.23 3.57 -2.00 0.53 116.94 123.53 2dlv h PHE 87 Ca -0.50 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.08 2dlv h PHE 87 Cb 1.27 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 40.19 2dlv h PHE 87 CO 0.50 -0.30 0.41 1.25 -2.23 0.00 0.00 178.31 177.93 2dlv h HIS 88 N -0.37 0.75 -0.73 0.41 2.76 -1.98 0.23 115.15 116.20 2dlv h HIS 88 Ca 0.04 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2dlv h HIS 88 Cb 0.41 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 2dlv h HIS 88 CO -0.22 0.34 0.33 1.15 -1.30 0.00 0.00 177.93 178.23 2dlv h THR 89 N 0.73 1.24 -0.25 6.26 2.02 -1.81 0.38 112.91 121.48 2dlv h THR 89 Ca 0.34 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 2dlv h THR 89 Cb 0.25 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2dlv h THR 89 CO -0.21 0.29 -0.26 0.11 0.37 0.00 0.00 175.52 175.83 2dlv h LYS 90 N 1.04 0.61 0.52 6.66 1.57 -0.06 -2.82 116.57 124.08 2dlv h LYS 90 Ca 0.25 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2dlv h LYS 90 Cb 0.15 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2dlv h LYS 90 CO -0.03 0.92 -0.25 1.49 -0.57 0.00 0.00 179.45 181.02 2dlv h GLU 91 N 0.32 -0.68 -0.90 3.15 4.57 -0.40 -2.19 114.58 118.45 2dlv h GLU 91 Ca 0.04 0.05 0.22 0.00 -1.18 0.00 0.00 59.36 58.49 2dlv h GLU 91 Cb 0.82 0.15 -0.16 0.00 -0.16 0.00 0.00 28.75 29.40 2dlv h GLU 91 CO 0.06 -0.40 -0.01 -0.24 -1.18 0.00 0.00 179.01 177.24 2dlv h VAL 92 N -1.13 0.15 -0.56 0.32 3.04 -0.36 0.43 116.25 118.15 2dlv h VAL 92 Ca -0.07 -0.02 -0.05 0.00 -1.01 0.00 0.00 66.70 65.55 2dlv h VAL 92 Cb 0.58 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.94 2dlv h VAL 92 CO 0.12 0.01 0.15 0.40 -1.01 0.00 0.00 177.57 177.24 2dlv h ILE 93 N 0.05 1.24 -0.89 3.17 2.04 -1.53 0.44 117.51 122.03 2dlv h ILE 93 Ca 0.51 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.67 2dlv h ILE 93 Cb 0.97 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 2dlv h ILE 93 CO -0.83 0.32 0.49 0.74 0.00 0.00 0.00 178.15 178.87 2dlv h THR 94 N 0.80 0.76 0.09 -0.27 2.02 0.50 1.25 112.91 118.06 2dlv h THR 94 Ca 0.18 -0.24 -0.31 0.00 0.77 0.00 0.00 66.41 66.81 2dlv h THR 94 Cb 0.32 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2dlv h THR 94 CO -0.00 0.13 -1.63 0.78 0.37 0.00 0.00 175.52 175.17 2dlv h ASN 95 N 0.70 0.30 -0.34 4.18 2.35 -1.13 -3.31 115.58 118.33 2dlv h ASN 95 Ca 0.48 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2dlv h ASN 95 Cb 0.66 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2dlv h ASN 95 CO -0.35 1.42 0.00 -0.24 -1.65 0.00 0.00 177.43 176.61 2dlv n SER 96 N -3.37 3.38 0.00 5.81 2.88 0.15 -4.17 113.62 118.30 2dlv n SER 96 Ca -0.19 -2.42 0.07 0.00 -1.33 0.00 0.00 58.87 55.00 2dlv n SER 96 Cb 1.04 -0.54 0.30 0.00 -0.75 0.00 0.00 64.21 64.26 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 0.42 0.98 0.30 2.46 0.13 0.42 -1.91 119.36 122.16 2dlv n ILE 97 Ca 0.15 0.24 0.07 0.00 -1.10 0.00 0.00 62.75 62.12 2dlv n ILE 97 Cb 0.70 -1.01 -0.10 0.00 -0.84 0.00 0.00 39.64 38.39 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 -1.46 0.00 -1.42 9.51 5.66 -1.26 -4.45 114.28 120.86 2dlv n THR 98 Ca 0.04 -0.26 0.05 0.00 -3.05 0.00 0.00 64.05 60.83 2dlv n THR 98 Cb 0.15 0.54 0.20 0.00 -1.55 0.00 0.00 70.33 69.67 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 -1.70 1.65 -2.26 1.09 1.13 -0.85 -5.05 117.38 111.39 2dlv n GLN 99 Ca -0.00 -3.10 -0.35 0.00 -1.94 0.00 0.00 57.00 51.61 2dlv n GLN 99 Cb 0.31 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 3.42 0.37 -1.09 0.04 -0.80 -5.05 135.00 128.75 2dlv s PRO 100 Ca 0.38 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2dlv s PRO 100 Cb 0.36 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2dlv s PRO 100 CO -0.03 -0.80 0.18 0.95 0.04 0.00 0.00 177.00 177.34 2dlv s THR 101 N -1.73 0.37 0.36 1.26 -4.23 -1.26 -4.85 115.64 105.55 2dlv s THR 101 Ca 0.71 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.42 2dlv s THR 101 Cb -0.25 -2.41 0.20 0.00 1.34 0.00 0.00 72.50 71.38 2dlv s THR 101 CO 0.28 0.00 1.93 -0.07 -0.54 0.00 0.00 174.62 176.22 2dlv h LEU 102 N 1.96 0.00 -3.40 4.79 3.38 -1.96 -2.10 115.31 117.99 2dlv h LEU 102 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 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 0.50 0.24 0.00 0.00 0.09 0.00 0.00 178.44 179.27 2dlv n HIS 103 N -3.83 1.81 -0.02 1.13 1.44 -1.26 -4.51 115.22 109.98 2dlv n HIS 103 Ca -0.02 -0.69 -0.01 0.00 -2.01 0.00 0.00 57.72 54.99 2dlv n HIS 103 Cb 0.34 -0.40 -0.00 0.00 0.12 0.00 0.00 29.99 30.04 2dlv n HIS 103 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2dlv h SER 104 N 3.95 0.00 -1.07 4.39 0.02 -1.77 -3.39 113.55 115.68 2dlv h SER 104 Ca 0.00 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 2dlv h SER 104 Cb 1.76 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.20 2dlv h SER 104 CO 0.38 0.25 0.67 -0.26 -1.14 0.00 0.00 176.83 176.74 2dlv h PHE 105 N -0.33 0.71 -0.62 3.45 0.04 -1.80 -1.58 116.94 116.80 2dlv h PHE 105 Ca 0.00 0.03 0.18 0.00 2.80 0.00 0.00 57.97 60.97 2dlv h PHE 105 Cb 0.16 -0.20 -0.12 0.00 2.20 0.00 0.00 35.95 38.00 2dlv h PHE 105 CO -0.07 0.01 0.04 -3.47 -0.60 0.00 0.00 178.31 174.23 2dlv n ASP 106 N -4.70 -0.05 0.20 2.17 2.03 -1.26 0.12 116.55 115.07 2dlv n ASP 106 Ca 0.27 1.05 -0.15 0.00 0.52 0.00 0.00 54.79 56.48 2dlv n ASP 106 Cb 0.93 -0.39 -0.07 0.00 -0.72 0.00 0.00 41.12 40.86 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 1.24 -0.72 -0.90 -1.67 0.00 -1.53 -1.68 119.26 114.01 2dlv h ALA 107 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dlv h ALA 107 Cb 0.83 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2dlv h ALA 107 CO -0.57 -0.94 0.56 0.00 0.00 0.00 0.00 179.25 178.29 2dlv h ALA 108 N -0.19 1.14 -0.78 0.00 0.00 0.78 -2.51 119.26 117.70 2dlv h ALA 108 Ca -0.01 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.92 2dlv h ALA 108 Cb 0.64 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2dlv h ALA 108 CO -0.09 0.58 0.40 0.37 0.00 0.00 0.00 179.25 180.52 2dlv h GLN 109 N 1.23 0.63 -0.85 0.00 4.15 -0.56 -0.68 115.11 119.03 2dlv h GLN 109 Ca 0.32 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.71 2dlv h GLN 109 Cb -0.08 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 2dlv h GLN 109 CO -0.06 0.42 0.56 1.03 -1.93 0.00 0.00 178.83 178.84 2dlv h SER 110 N 0.65 0.99 0.74 -0.69 0.87 -0.86 0.13 113.55 115.38 2dlv h SER 110 Ca 0.39 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 2dlv h SER 110 Cb 0.45 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2dlv h SER 110 CO -0.29 0.72 -0.47 -0.09 -0.53 0.00 0.00 176.83 176.17 2dlv h ARG 111 N 1.16 -1.10 0.17 2.24 9.65 -1.03 -2.09 114.38 123.37 2dlv h ARG 111 Ca 0.31 0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.26 2dlv h ARG 111 Cb -0.12 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2dlv h ARG 111 CO -0.07 -0.73 -0.08 0.28 2.80 0.00 0.00 179.97 182.17 2dlv h VAL 112 N -1.14 0.89 -0.95 0.20 2.07 -1.37 -1.94 116.25 114.01 2dlv h VAL 112 Ca -0.10 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.36 2dlv h VAL 112 Cb 0.92 1.04 -0.17 0.00 -1.52 0.00 0.00 31.29 31.56 2dlv h VAL 112 CO 0.09 0.06 -0.27 0.22 0.02 0.00 0.00 177.57 177.68 2dlv h TYR 113 N -0.34 -0.65 0.48 1.57 3.20 -0.74 -0.68 116.97 119.80 2dlv h TYR 113 Ca -0.02 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2dlv h TYR 113 Cb 0.27 0.43 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2dlv h TYR 113 CO -0.03 -0.41 -0.23 1.96 -1.64 0.00 0.00 178.16 177.81 2dlv h GLN 114 N -0.01 -0.62 -0.76 1.82 1.08 -1.27 -2.36 115.11 112.99 2dlv h GLN 114 Ca 0.43 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.81 2dlv h GLN 114 Cb 0.67 0.14 -0.14 0.00 -0.05 0.00 0.00 27.48 28.10 2dlv h GLN 114 CO -0.97 -0.31 -0.21 1.28 -0.95 0.00 0.00 178.83 177.66 2dlv n LEU 115 N -5.25 -0.32 0.27 1.46 4.77 -0.35 -0.77 117.00 116.80 2dlv n LEU 115 Ca -0.11 1.31 -0.11 0.00 -0.03 0.00 0.00 56.01 57.08 2dlv n LEU 115 Cb 0.31 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2dlv n LEU 115 CO 0.30 -1.24 0.36 0.24 -1.33 0.00 0.00 177.39 175.72 2dlv h MET 116 N 0.00 -0.69 -1.57 3.23 2.86 -1.32 -2.96 114.93 114.48 2dlv h MET 116 Ca 0.34 0.05 0.45 0.00 -2.06 0.00 0.00 59.70 58.48 2dlv h MET 116 Cb 0.53 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 2dlv h MET 116 CO -0.78 -0.46 1.34 -1.91 1.06 0.00 0.00 176.91 176.17 2dlv n GLU 117 N -4.64 0.01 0.08 1.72 2.13 -0.01 -0.24 120.64 119.70 2dlv n GLU 117 Ca -0.09 1.06 -0.04 0.00 0.66 0.00 0.00 57.16 58.75 2dlv n GLU 117 Cb 0.28 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.45 2dlv n GLU 117 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2dlv h GLN 118 N 0.00 -0.23 0.00 5.31 1.08 -0.79 -3.38 115.11 117.11 2dlv h GLN 118 Ca 0.74 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.96 2dlv h GLN 118 Cb 3.42 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 30.90 2dlv h GLN 118 CO -0.01 -0.15 -0.60 -0.25 -0.95 0.00 0.00 178.83 176.88 2dlv n ASP 119 N -3.09 1.27 -0.24 1.46 9.92 0.06 -4.01 116.55 121.91 2dlv n ASP 119 Ca -0.03 0.28 -0.03 0.00 -0.53 0.00 0.00 54.79 54.48 2dlv n ASP 119 Cb 0.09 -0.68 -0.01 0.00 -0.64 0.00 0.00 41.12 39.89 2dlv n ASP 119 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dlv n SER 120 N -3.80 -0.49 0.11 -2.24 7.64 0.67 0.10 113.62 115.60 2dlv n SER 120 Ca -0.08 1.06 -0.05 0.00 1.01 0.00 0.00 58.87 60.80 2dlv n SER 120 Cb 0.31 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2dlv n SER 120 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2dlv h TYR 121 N 0.00 -0.36 -0.94 1.43 3.20 -1.51 0.63 116.97 119.41 2dlv h TYR 121 Ca 0.16 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.30 2dlv h TYR 121 Cb 0.31 0.13 -0.17 0.00 1.54 0.00 0.00 36.73 38.55 2dlv h TYR 121 CO -0.57 -0.20 0.14 1.79 -1.64 0.00 0.00 178.16 177.69 2dlv h THR 122 N -0.31 0.12 -0.13 1.81 1.35 -1.09 1.07 112.91 115.73 2dlv h THR 122 Ca -0.03 -0.02 -0.14 0.00 -0.55 0.00 0.00 66.41 65.67 2dlv h THR 122 Cb 0.26 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2dlv h THR 122 CO 0.02 0.01 -0.55 -0.09 -0.25 0.00 0.00 175.52 174.66 2dlv h ARG 123 N 0.07 0.37 -0.36 4.72 2.43 -0.12 -3.13 114.38 118.35 2dlv h ARG 123 Ca 0.60 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2dlv h ARG 123 Cb 1.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2dlv h ARG 123 CO -0.82 0.82 -0.06 0.35 -1.51 0.00 0.00 179.97 178.75 2dlv h PHE 124 N 0.29 0.76 -0.77 2.20 3.57 0.69 -2.03 116.94 121.64 2dlv h PHE 124 Ca 0.00 -0.15 0.09 0.00 3.53 0.00 0.00 57.97 61.44 2dlv h PHE 124 Cb 1.05 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2dlv h PHE 124 CO 0.03 0.82 0.51 -0.07 -2.23 0.00 0.00 178.31 177.36 2dlv h LEU 125 N 0.48 0.66 -2.80 0.59 3.38 -0.53 0.12 115.31 117.21 2dlv h LEU 125 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2dlv h LEU 125 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dlv h LEU 125 CO 0.03 0.40 0.00 2.29 0.09 0.00 0.00 178.44 181.25 2dlv n LYS 126 N -4.50 3.53 -3.23 1.13 2.85 -1.11 -4.73 118.16 112.10 2dlv n LYS 126 Ca 0.12 -2.49 -0.38 0.00 -1.05 0.00 0.00 58.31 54.51 2dlv n LYS 126 Cb 0.29 -1.87 -0.06 0.00 -0.65 0.00 0.00 35.03 32.74 2dlv n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2dlv s SER 127 N -0.80 6.77 0.30 -5.58 1.04 0.41 -4.96 113.70 110.88 2dlv s SER 127 Ca 0.44 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.85 2dlv s SER 127 Cb 0.30 -2.32 0.75 0.00 0.10 0.00 0.00 66.02 64.84 2dlv s SER 127 CO 0.20 -0.04 1.76 0.44 0.98 0.00 0.00 173.24 176.57 2dlv h ASP 128 N 6.75 0.69 -0.52 7.02 3.32 -1.90 -1.06 116.42 130.71 2dlv h ASP 128 Ca -0.41 0.11 0.11 0.00 0.02 0.00 0.00 57.03 56.86 2dlv h ASP 128 Cb 1.18 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.63 2dlv h ASP 128 CO 0.76 0.20 -0.19 0.40 -1.72 0.00 0.00 179.24 178.69 2dlv h ILE 129 N 0.67 0.38 0.72 0.35 2.04 -1.93 0.63 117.51 120.38 2dlv h ILE 129 Ca 0.58 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.40 2dlv h ILE 129 Cb 0.96 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2dlv h ILE 129 CO -0.42 0.00 -0.35 0.22 0.00 0.00 0.00 178.15 177.61 2dlv h TYR 130 N -0.06 -0.90 -0.91 1.37 3.20 -1.44 0.18 116.97 118.42 2dlv h TYR 130 Ca 0.25 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.35 2dlv h TYR 130 Cb 0.44 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2dlv h TYR 130 CO -0.49 -0.56 0.64 -0.07 -1.64 0.00 0.00 178.16 176.05 2dlv h LEU 131 N -1.05 0.09 0.23 2.82 3.38 -1.19 -2.04 115.31 117.54 2dlv h LEU 131 Ca -0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dlv h LEU 131 Cb 0.74 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dlv h LEU 131 CO 0.16 0.03 -0.11 -0.78 0.09 0.00 0.00 178.44 177.83 2dlv h ASP 132 N 0.08 -0.27 -1.21 -0.43 3.58 0.52 0.30 116.42 118.99 2dlv h ASP 132 Ca 0.44 -0.09 0.45 0.00 0.42 0.00 0.00 57.03 58.25 2dlv h ASP 132 Cb 1.62 0.07 -0.15 0.00 1.72 0.00 0.00 39.33 42.59 2dlv h ASP 132 CO -0.05 0.23 0.73 0.00 -2.88 0.00 0.00 179.24 177.27 2dlv n LEU 133 N -4.98 0.26 -0.02 2.28 -0.00 0.62 0.76 117.00 115.92 2dlv n LEU 133 Ca -0.05 1.48 -0.16 0.00 -0.00 0.00 0.00 56.01 57.28 2dlv n LEU 133 Cb 0.17 -0.73 -0.14 0.00 -0.00 0.00 0.00 43.42 42.73 2dlv n LEU 133 CO 0.14 -1.63 -0.76 1.15 -0.00 0.00 0.00 177.39 176.28 2dlv n MET 134 N -4.92 0.70 -3.87 1.47 0.00 -1.02 -3.15 117.12 106.34 2dlv n MET 134 Ca 0.39 0.25 -0.28 0.00 0.00 0.00 0.00 57.70 58.06 2dlv n MET 134 Cb 1.44 -1.72 0.03 0.00 0.00 0.00 0.00 33.22 32.97 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 -3.26 -3.85 -4.46 3.17 2.88 0.23 -4.93 113.62 103.42 2dlv n SER 135 Ca -0.27 -0.80 -0.31 0.00 -1.33 0.00 0.00 58.87 56.16 2dlv n SER 135 Cb 1.05 -3.89 -0.13 0.00 -0.75 0.00 0.00 64.21 60.50 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 -3.58 1.55 -0.06 0.46 0.00 -1.25 -5.06 107.32 99.39 2dlv s GLY 136 Ca 0.50 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 2dlv s GLY 136 CO 0.83 -1.01 1.49 2.56 0.00 0.00 0.00 173.10 176.97 2dlv s PRO 137 N -1.25 4.22 0.07 2.90 0.04 -1.26 -4.99 135.00 134.74 2dlv s PRO 137 Ca 0.14 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 2dlv s PRO 137 Cb -0.10 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2dlv s PRO 137 CO 0.04 -0.73 1.02 -1.12 0.04 0.00 0.00 177.00 176.25 2dlv s SER 138 N 2.54 7.36 -0.10 6.66 0.01 -1.26 -4.98 113.70 123.93 2dlv s SER 138 Ca 0.66 1.82 -0.06 0.00 1.31 0.00 0.00 55.95 59.68 2dlv s SER 138 Cb -0.30 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 2dlv s SER 138 CO 0.25 -0.21 -0.12 -1.28 0.41 0.00 0.00 173.24 172.29 2dlv h SER 139 N 6.11 0.00 0.00 2.44 0.87 -2.08 -3.57 113.55 117.32 2dlv h SER 139 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2dlv h SER 139 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2dlv h SER 139 CO 0.74 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 178.21