#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmp s SER 11 N 0.00 6.70 0.20 8.00 0.15 -1.26 -4.98 113.70 122.51 3kmp s SER 11 Ca 0.00 0.86 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 3kmp s SER 11 Cb 0.00 -2.21 0.13 0.00 -1.71 0.00 0.00 66.02 62.23 3kmp s SER 11 CO 0.00 0.23 1.85 -0.65 1.20 0.00 0.00 173.24 175.87 3kmp h PRO 12 N 4.09 0.94 -0.63 5.44 0.11 -2.05 0.25 132.00 140.15 3kmp h PRO 12 Ca -0.50 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 3kmp h PRO 12 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3kmp h PRO 12 CO 0.64 0.65 0.28 0.00 -0.21 0.00 0.00 178.00 179.36 3kmp h ALA 13 N 1.23 0.82 -0.33 -0.75 0.00 -1.99 -0.88 119.26 117.36 3kmp h ALA 13 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kmp h ALA 13 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kmp h ALA 13 CO -0.05 0.41 0.03 0.28 0.00 0.00 0.00 179.25 179.92 3kmp h VAL 14 N 0.88 1.25 0.00 0.00 2.07 -1.77 -1.01 116.25 117.66 3kmp h VAL 14 Ca 0.21 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3kmp h VAL 14 Cb 0.16 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3kmp h VAL 14 CO -0.02 0.29 -0.26 0.07 0.02 0.00 0.00 177.57 177.67 3kmp h LYS 15 N 0.38 0.00 0.21 1.57 2.10 -0.39 0.36 116.57 120.81 3kmp h LYS 15 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 3kmp h LYS 15 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3kmp h LYS 15 CO 0.01 0.26 -0.10 0.00 -2.00 0.00 0.00 179.45 177.62 3kmp h ARG 16 N 0.00 -0.27 -0.74 0.07 3.08 -0.88 -1.84 114.38 113.80 3kmp h ARG 16 Ca -0.00 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3kmp h ARG 16 Cb 0.67 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 3kmp h ARG 16 CO 0.03 0.06 0.42 -0.07 -1.07 0.00 0.00 179.97 179.34 3kmp h LEU 17 N -0.64 0.62 -2.39 3.04 3.38 -0.57 0.10 115.31 118.86 3kmp h LEU 17 Ca -0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kmp h LEU 17 Cb 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kmp h LEU 17 CO 0.05 0.39 -0.01 -0.07 0.09 0.00 0.00 178.44 178.89 3kmp h LEU 18 N 0.75 0.00 -1.12 1.67 3.38 -0.27 -1.41 115.31 118.32 3kmp h LEU 18 Ca 0.34 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.39 3kmp h LEU 18 Cb 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3kmp h LEU 18 CO -0.20 0.01 0.60 1.23 0.09 0.00 0.00 178.44 180.17 3kmp h GLY 19 N 0.76 1.40 -0.10 0.83 0.00 0.10 -1.45 103.07 104.62 3kmp h GLY 19 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3kmp h GLY 19 CO 0.00 0.26 0.00 0.79 0.00 0.00 0.00 176.54 177.59 3kmp n TRP 20 N -4.52 0.01 -1.82 5.60 7.02 -0.53 -4.92 117.44 118.28 3kmp n TRP 20 Ca 0.15 -0.01 -0.41 0.00 -1.02 0.00 0.00 57.50 56.22 3kmp n TRP 20 Cb 0.25 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.14 3kmp n TRP 20 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3kmp s LYS 21 N -1.99 4.12 -0.13 -0.99 2.20 -0.55 -4.96 119.74 117.45 3kmp s LYS 21 Ca 0.40 2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 58.28 3kmp s LYS 21 Cb 0.21 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 3kmp s LYS 21 CO 0.34 -0.53 0.98 -0.65 -0.36 0.00 0.00 175.35 175.13 3kmp s GLN 22 N -1.94 4.38 0.40 4.03 -1.52 -1.26 -5.05 119.66 118.70 3kmp s GLN 22 Ca 0.53 1.32 -0.23 0.00 -1.95 0.00 0.00 55.36 55.04 3kmp s GLN 22 Cb -0.46 -3.56 -0.09 0.00 -0.22 0.00 0.00 33.01 28.67 3kmp s GLN 22 CO 0.61 -0.35 1.01 0.20 -0.25 0.00 0.00 175.29 176.51 3kmp s GLY 23 N 1.12 2.64 0.77 3.09 0.00 -1.26 -5.07 107.32 108.61 3kmp s GLY 23 Ca 0.46 0.59 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 3kmp s GLY 23 CO 0.15 0.98 1.05 2.09 0.00 0.00 0.00 173.10 177.38 3kmp n ASP 24 N -0.21 1.15 -0.37 1.64 5.75 -1.26 -4.81 116.55 118.44 3kmp n ASP 24 Ca 0.05 -2.03 0.03 0.00 -0.01 0.00 0.00 54.79 52.83 3kmp n ASP 24 Cb 0.51 -0.71 0.18 0.00 -1.03 0.00 0.00 41.12 40.07 3kmp n ASP 24 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3kmp h GLU 25 N 0.00 1.14 -0.49 0.11 4.39 -1.99 -0.01 114.58 117.73 3kmp h GLU 25 Ca -0.35 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 3kmp h GLU 25 Cb 1.22 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3kmp h GLU 25 CO 0.35 0.76 0.10 1.49 -1.16 0.00 0.00 179.01 180.54 3kmp h GLU 26 N 1.18 0.80 -0.09 2.33 4.57 -1.99 -0.47 114.58 120.91 3kmp h GLU 26 Ca 0.43 -0.21 -0.21 0.00 -1.18 0.00 0.00 59.36 58.20 3kmp h GLU 26 Cb 0.17 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3kmp h GLU 26 CO -0.18 0.79 -0.81 1.49 -1.18 0.00 0.00 179.01 179.13 3kmp h GLU 27 N 0.68 0.59 -0.80 1.92 4.81 -1.70 -0.61 114.58 119.48 3kmp h GLU 27 Ca 0.15 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 3kmp h GLU 27 Cb 0.36 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3kmp h GLU 27 CO 0.01 1.14 0.37 0.87 -0.73 0.00 0.00 179.01 180.66 3kmp h LYS 28 N 0.39 1.16 -0.39 1.92 1.57 -0.95 -0.91 116.57 119.35 3kmp h LYS 28 Ca -0.06 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3kmp h LYS 28 Cb 1.42 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3kmp h LYS 28 CO 0.15 0.91 0.16 2.35 -0.57 0.00 0.00 179.45 182.45 3kmp h TRP 29 N 1.14 0.60 -0.18 -1.35 7.01 -0.90 -2.38 115.95 119.88 3kmp h TRP 29 Ca 0.27 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 3kmp h TRP 29 Cb 0.14 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3kmp h TRP 29 CO 0.01 0.53 0.11 0.00 -2.79 0.00 0.00 178.44 176.30 3kmp h ALA 30 N 1.00 1.85 -0.60 2.65 0.00 -0.69 0.33 119.26 123.81 3kmp h ALA 30 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kmp h ALA 30 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kmp h ALA 30 CO -0.01 0.13 0.03 1.49 0.00 0.00 0.00 179.25 180.89 3kmp h GLU 31 N 0.25 1.04 -0.50 0.00 4.81 -0.68 -1.52 114.58 117.97 3kmp h GLU 31 Ca 0.07 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kmp h GLU 31 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3kmp h GLU 31 CO -0.01 1.01 0.30 0.87 -0.73 0.00 0.00 179.01 180.44 3kmp h LYS 32 N 0.93 0.69 -0.61 1.92 1.57 -0.80 -0.92 116.57 119.36 3kmp h LYS 32 Ca 0.17 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3kmp h LYS 32 Cb 0.52 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3kmp h LYS 32 CO 0.03 0.51 0.26 0.00 -0.57 0.00 0.00 179.45 179.67 3kmp h ALA 33 N 1.14 1.31 -0.34 3.86 0.00 -0.69 0.11 119.26 124.64 3kmp h ALA 33 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3kmp h ALA 33 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kmp h ALA 33 CO -0.03 0.52 -0.15 0.28 0.00 0.00 0.00 179.25 179.86 3kmp h VAL 34 N 0.87 1.29 -0.30 0.00 2.07 -1.05 -1.84 116.25 117.29 3kmp h VAL 34 Ca 0.21 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3kmp h VAL 34 Cb 0.15 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3kmp h VAL 34 CO -0.02 0.41 -0.02 -0.78 0.02 0.00 0.00 177.57 177.18 3kmp h ASP 35 N 0.48 -0.16 -0.94 0.57 3.58 -0.73 0.24 116.42 119.46 3kmp h ASP 35 Ca 0.08 0.07 0.11 0.00 0.42 0.00 0.00 57.03 57.71 3kmp h ASP 35 Cb 0.69 0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.79 3kmp h ASP 35 CO 0.05 -0.04 0.57 0.00 -2.88 0.00 0.00 179.24 176.93 3kmp h ALA 36 N 1.27 1.39 -0.15 -0.78 0.00 -0.66 -1.81 119.26 118.51 3kmp h ALA 36 Ca 0.14 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3kmp h ALA 36 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kmp h ALA 36 CO -0.26 0.17 -0.73 1.25 0.00 0.00 0.00 179.25 179.69 3kmp h LEU 37 N 0.91 0.82 -0.78 0.00 5.85 -0.44 -3.02 115.31 118.65 3kmp h LEU 37 Ca 0.46 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kmp h LEU 37 Cb 0.45 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kmp h LEU 37 CO -0.26 1.30 0.40 0.58 -0.34 0.00 0.00 178.44 180.12 3kmp h VAL 38 N 0.49 1.24 -0.98 1.05 2.07 -0.66 -0.81 116.25 118.65 3kmp h VAL 38 Ca -0.04 -0.65 0.13 0.00 0.82 0.00 0.00 66.70 66.97 3kmp h VAL 38 Cb 1.34 0.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 3kmp h VAL 38 CO 0.14 0.28 0.60 0.11 0.02 0.00 0.00 177.57 178.73 3kmp h LYS 39 N 1.09 0.89 -0.30 1.57 1.57 -1.22 -0.99 116.57 119.18 3kmp h LYS 39 Ca 0.27 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 3kmp h LYS 39 Cb 0.08 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3kmp h LYS 39 CO -0.04 0.59 -0.53 0.87 -0.57 0.00 0.00 179.45 179.77 3kmp h LYS 40 N 0.91 0.88 0.01 3.15 1.57 -1.35 -3.35 116.57 118.38 3kmp h LYS 40 Ca 0.50 -0.55 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 3kmp h LYS 40 Cb 0.57 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3kmp h LYS 40 CO -0.29 1.19 -0.89 -0.07 -0.57 0.00 0.00 179.45 178.81 3kmp h LEU 41 N 0.67 0.06 -1.75 2.94 3.38 -0.17 -3.08 115.31 117.36 3kmp h LEU 41 Ca 0.02 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3kmp h LEU 41 Cb 1.14 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 3kmp h LEU 41 CO 0.12 0.92 0.45 0.11 0.09 0.00 0.00 178.44 180.13 3kmp h LYS 42 N 0.02 0.25 0.00 1.13 1.57 -1.36 -1.46 116.57 116.72 3kmp h LYS 42 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kmp h LYS 42 Cb 1.57 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3kmp h LYS 42 CO 0.12 0.16 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 3kmp n LYS 43 N -4.44 0.73 -3.82 3.15 5.02 -1.17 -4.63 118.16 113.00 3kmp n LYS 43 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 3kmp n LYS 43 Cb 0.55 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.89 3kmp n LYS 43 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kmp s LYS 44 N -2.00 1.03 0.17 1.97 1.02 -0.55 -5.10 119.74 116.28 3kmp s LYS 44 Ca 0.35 -0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.79 3kmp s LYS 44 Cb 0.16 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.77 3kmp s LYS 44 CO 0.27 -0.40 1.47 0.15 -0.92 0.00 0.00 175.35 175.92 3kmp s LYS 45 N 1.80 4.27 0.00 1.68 -0.14 -1.26 -2.26 119.74 123.83 3kmp s LYS 45 Ca 0.03 2.24 0.00 0.00 -1.36 0.00 0.00 55.97 56.88 3kmp s LYS 45 Cb -0.14 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3kmp s LYS 45 CO -0.07 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.44 3kmp n GLY 46 N 3.25 3.09 0.38 -3.33 0.00 -1.26 -4.94 105.19 102.38 3kmp n GLY 46 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3kmp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kmp h ALA 47 N 0.00 -0.92 -0.63 4.61 0.00 -1.70 0.83 119.26 121.44 3kmp h ALA 47 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kmp h ALA 47 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3kmp h ALA 47 CO 0.00 -1.01 0.32 0.52 0.00 0.00 0.00 179.25 179.08 3kmp h MET 48 N -0.93 0.57 -0.28 0.00 2.86 -1.77 0.11 114.93 115.48 3kmp h MET 48 Ca -0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3kmp h MET 48 Cb 0.71 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3kmp h MET 48 CO 0.15 0.38 0.12 0.93 1.06 0.00 0.00 176.91 179.55 3kmp h GLU 49 N 0.59 0.42 -0.30 1.72 3.07 -1.92 -1.63 114.58 116.53 3kmp h GLU 49 Ca 0.29 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3kmp h GLU 49 Cb 0.24 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3kmp h GLU 49 CO -0.21 0.43 0.17 1.49 -1.40 0.00 0.00 179.01 179.49 3kmp h GLU 50 N 0.31 0.41 -0.84 2.33 4.57 -0.15 0.24 114.58 121.46 3kmp h GLU 50 Ca 0.10 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3kmp h GLU 50 Cb 0.16 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3kmp h GLU 50 CO -0.01 0.33 0.41 1.25 -1.18 0.00 0.00 179.01 179.82 3kmp h LEU 51 N 0.37 1.09 -0.84 1.64 5.85 -0.76 -0.10 115.31 122.56 3kmp h LEU 51 Ca 0.11 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3kmp h LEU 51 Cb 0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3kmp h LEU 51 CO -0.02 0.91 0.00 -0.08 -0.34 0.00 0.00 178.44 178.91 3kmp h GLU 52 N 1.18 0.87 -0.30 1.25 4.81 -0.77 -1.19 114.58 120.43 3kmp h GLU 52 Ca 0.29 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kmp h GLU 52 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kmp h GLU 52 CO -0.04 0.86 0.17 0.87 -0.73 0.00 0.00 179.01 180.14 3kmp h LYS 53 N 0.81 0.34 -0.77 1.92 1.57 0.44 -1.53 116.57 119.33 3kmp h LYS 53 Ca 0.15 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3kmp h LYS 53 Cb 0.48 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3kmp h LYS 53 CO 0.02 0.22 0.31 0.00 -0.57 0.00 0.00 179.45 179.43 3kmp h ALA 54 N 1.14 1.08 -0.00 3.86 0.00 -0.59 0.27 119.26 125.01 3kmp h ALA 54 Ca 0.12 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3kmp h ALA 54 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kmp h ALA 54 CO -0.06 0.65 -0.78 -0.07 0.00 0.00 0.00 179.25 178.99 3kmp h LEU 55 N 1.13 0.04 0.02 0.00 3.38 -1.06 -3.25 115.31 115.57 3kmp h LEU 55 Ca 0.26 -0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.89 3kmp h LEU 55 Cb 0.21 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3kmp h LEU 55 CO -0.02 0.80 -1.84 -1.54 0.09 0.00 0.00 178.44 175.93 3kmp n SER 56 N -3.63 1.02 -3.59 -0.43 3.41 -0.59 -4.45 113.62 105.37 3kmp n SER 56 Ca -0.01 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 58.66 3kmp n SER 56 Cb 0.75 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 3kmp n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kmp h PRO 58 N 4.72 1.12 -0.23 0.00 0.11 -1.77 -2.53 132.00 133.41 3kmp h PRO 58 Ca 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3kmp h PRO 58 Cb 0.73 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3kmp h PRO 58 CO 0.73 0.74 0.07 0.78 -0.21 0.00 0.00 178.00 180.11 3kmp h GLY 59 N 1.15 0.34 -6.20 -0.55 0.00 -1.92 -3.42 103.07 92.47 3kmp h GLY 59 Ca 0.44 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 47.02 3kmp h GLY 59 CO -0.19 0.15 -0.00 1.20 0.00 0.00 0.00 176.54 177.70 3kmp s GLN 60 N -5.13 4.19 0.33 4.80 -0.21 -0.95 -5.03 119.66 117.65 3kmp s GLN 60 Ca -0.07 0.45 -0.25 0.00 0.02 0.00 0.00 55.36 55.52 3kmp s GLN 60 Cb 0.17 -3.57 -0.14 0.00 1.00 0.00 0.00 33.01 30.46 3kmp s GLN 60 CO 0.72 -0.18 0.57 -2.30 -2.12 0.00 0.00 175.29 171.98 3kmp n PRO 61 N 4.88 0.50 -4.22 2.91 -0.02 -1.26 -4.90 135.00 132.90 3kmp n PRO 61 Ca -0.04 0.18 -0.12 0.00 -2.02 0.00 0.00 63.50 61.49 3kmp n PRO 61 Cb 0.50 -1.37 -0.10 0.00 -0.02 0.00 0.00 33.50 32.51 3kmp n PRO 61 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kmp s SER 62 N -0.89 0.88 0.65 2.55 1.04 -1.26 -5.02 113.70 111.65 3kmp s SER 62 Ca 0.62 -1.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 3kmp s SER 62 Cb -0.72 0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.62 3kmp s SER 62 CO 0.59 -0.64 0.98 0.20 0.98 0.00 0.00 173.24 175.34 3kmp s ASN 63 N -3.14 5.35 0.44 7.02 0.01 -1.26 -5.04 114.94 118.31 3kmp s ASN 63 Ca 0.26 0.75 -0.26 0.00 -0.71 0.00 0.00 52.86 52.90 3kmp s ASN 63 Cb 0.07 -1.61 -0.09 0.00 0.41 0.00 0.00 41.25 40.03 3kmp s ASN 63 CO 0.04 -1.27 1.43 0.00 -1.51 0.00 0.00 177.10 175.80 3kmp s VAL 65 N -1.19 1.30 0.20 0.00 1.01 -1.26 -5.01 120.40 115.45 3kmp s VAL 65 Ca 0.59 -1.26 0.09 0.00 0.00 0.00 0.00 61.98 61.41 3kmp s VAL 65 Cb -0.44 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3kmp s VAL 65 CO 0.57 -0.29 -0.08 0.42 0.00 0.00 0.00 175.10 175.71 3kmp s THR 66 N 1.47 3.19 0.22 3.92 -4.23 -1.26 -0.47 115.64 118.48 3kmp s THR 66 Ca -0.00 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 3kmp s THR 66 Cb -0.18 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 3kmp s THR 66 CO -0.11 -0.18 -0.12 0.27 -0.54 0.00 0.00 174.62 173.94 3kmp s ILE 67 N -1.87 1.68 0.44 2.99 -4.36 -0.53 -4.91 121.20 114.65 3kmp s ILE 67 Ca 0.26 -2.19 -0.24 0.00 -0.26 0.00 0.00 60.65 58.23 3kmp s ILE 67 Cb -0.08 -2.12 -0.10 0.00 1.25 0.00 0.00 42.46 41.42 3kmp s ILE 67 CO 0.16 -0.54 1.10 -2.65 0.24 0.00 0.00 174.94 173.24 3kmp n PRO 68 N -0.41 1.49 -3.61 0.37 -0.02 -1.26 -0.50 135.00 131.06 3kmp n PRO 68 Ca -0.07 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 3kmp n PRO 68 Cb 0.61 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3kmp n PRO 68 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kmp s ARG 69 N -2.17 3.89 0.73 -0.52 3.52 0.13 -4.66 118.95 119.86 3kmp s ARG 69 Ca 0.64 0.17 -0.08 0.00 -0.13 0.00 0.00 55.73 56.33 3kmp s ARG 69 Cb -0.52 -3.27 0.06 0.00 -1.56 0.00 0.00 34.95 29.65 3kmp s ARG 69 CO 0.56 0.58 1.06 -1.54 -0.81 0.00 0.00 175.30 175.15 3kmp s SER 70 N -0.60 4.78 0.18 -2.12 1.04 -1.26 -4.94 113.70 110.78 3kmp s SER 70 Ca 0.19 0.58 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 3kmp s SER 70 Cb -0.14 -1.21 0.11 0.00 0.10 0.00 0.00 66.02 64.88 3kmp s SER 70 CO 0.08 -1.66 1.82 -0.07 0.98 0.00 0.00 173.24 174.40 3kmp h LEU 71 N -0.72 0.56 -0.48 2.42 3.38 -1.99 -2.71 115.31 115.77 3kmp h LEU 71 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kmp h LEU 71 Cb 1.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kmp h LEU 71 CO 0.62 0.39 -0.33 -0.90 0.09 0.00 0.00 178.44 178.31 3kmp n ASP 72 N -4.76 1.07 0.00 -0.43 5.75 -1.26 -4.95 116.55 111.97 3kmp n ASP 72 Ca 0.04 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3kmp n ASP 72 Cb 0.07 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3kmp n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kmp n GLY 73 N 1.37 2.94 3.75 6.12 0.00 -1.02 -5.04 105.19 113.31 3kmp n GLY 73 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3kmp n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kmp s ARG 74 N -0.10 2.08 -0.00 1.61 0.52 -1.26 -4.44 118.95 117.35 3kmp s ARG 74 Ca 0.00 1.23 0.06 0.00 -0.52 0.00 0.00 55.73 56.50 3kmp s ARG 74 Cb 0.00 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 3kmp s ARG 74 CO 0.00 -1.79 -0.19 -1.17 0.02 0.00 0.00 175.30 172.18 3kmp s LEU 75 N -6.01 2.06 -0.11 2.53 2.96 0.20 -4.54 118.68 115.78 3kmp s LEU 75 Ca 0.62 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3kmp s LEU 75 Cb -0.18 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 3kmp s LEU 75 CO 0.56 0.21 -0.14 -1.58 -1.32 0.00 0.00 176.35 174.08 3kmp s GLN 76 N -0.59 3.17 -0.10 1.98 0.74 -1.26 -1.24 119.66 122.36 3kmp s GLN 76 Ca 0.07 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 3kmp s GLN 76 Cb -0.07 -2.56 0.03 0.00 1.10 0.00 0.00 33.01 31.50 3kmp s GLN 76 CO -0.00 0.31 -0.03 0.08 -0.55 0.00 0.00 175.29 175.10 3kmp s VAL 77 N 0.09 0.70 -1.18 1.34 1.01 -0.21 -4.89 120.40 117.26 3kmp s VAL 77 Ca -0.06 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3kmp s VAL 77 Cb -0.15 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3kmp s VAL 77 CO 0.05 0.28 0.73 -0.24 0.00 0.00 0.00 175.10 175.91 3kmp n SER 78 N 5.04 -4.65 0.00 3.32 2.88 -1.26 -1.52 113.62 117.44 3kmp n SER 78 Ca -0.10 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 3kmp n SER 78 Cb 0.50 -2.35 0.00 0.00 -0.75 0.00 0.00 64.21 61.61 3kmp n SER 78 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3kmp n HIS 79 N -4.68 0.00 -4.18 0.66 -0.00 -1.26 -4.97 115.22 100.80 3kmp n HIS 79 Ca -0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.27 3kmp n HIS 79 Cb 0.57 -0.50 -0.10 0.00 -0.00 0.00 0.00 29.99 29.96 3kmp n HIS 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3kmp s ARG 80 N -0.25 3.55 -0.13 -0.41 0.52 -0.58 -5.11 118.95 116.55 3kmp s ARG 80 Ca 0.00 -0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 3kmp s ARG 80 Cb 0.00 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 3kmp s ARG 80 CO 0.00 0.46 -0.04 0.15 0.02 0.00 0.00 175.30 175.90 3kmp s LYS 81 N -0.20 3.39 0.26 3.54 1.02 -1.26 -1.04 119.74 125.45 3kmp s LYS 81 Ca 0.06 -0.50 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 3kmp s LYS 81 Cb -0.12 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3kmp s LYS 81 CO 0.02 0.40 0.37 0.41 -0.92 0.00 0.00 175.35 175.63 3kmp n GLY 82 N 3.05 2.32 3.76 -3.33 0.00 -0.37 -4.93 105.19 105.68 3kmp n GLY 82 Ca -0.18 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 3kmp n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kmp s LEU 83 N 0.00 4.28 0.15 0.99 1.43 -1.26 0.62 118.68 124.89 3kmp s LEU 83 Ca 0.21 0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 53.63 3kmp s LEU 83 Cb -0.01 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.92 3kmp s LEU 83 CO 0.15 0.17 1.66 -0.65 0.23 0.00 0.00 176.35 177.91 3kmp h PRO 84 N 6.24 -0.11 -0.53 1.29 0.11 -1.92 0.31 132.00 137.39 3kmp h PRO 84 Ca -0.44 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3kmp h PRO 84 Cb 1.18 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3kmp h PRO 84 CO 0.72 -0.07 0.18 1.12 -0.21 0.00 0.00 178.00 179.73 3kmp h HIS 85 N -0.11 0.80 -0.48 0.65 2.07 -1.93 -1.17 115.15 114.98 3kmp h HIS 85 Ca 0.14 -0.05 -0.08 0.00 -2.85 0.00 0.00 60.37 57.53 3kmp h HIS 85 Cb 0.33 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.05 3kmp h HIS 85 CO -0.33 0.65 0.01 0.28 -3.07 0.00 0.00 177.93 175.47 3kmp h VAL 86 N 0.77 1.26 0.47 6.12 2.07 -1.63 0.18 116.25 125.49 3kmp h VAL 86 Ca 0.18 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3kmp h VAL 86 Cb 0.21 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3kmp h VAL 86 CO -0.01 0.37 -0.26 0.40 0.02 0.00 0.00 177.57 178.09 3kmp h ILE 87 N 0.70 0.46 0.00 4.57 2.04 -0.34 -1.51 117.51 123.43 3kmp h ILE 87 Ca 0.14 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 3kmp h ILE 87 Cb 0.50 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kmp h ILE 87 CO 0.02 0.00 -0.37 1.88 0.00 0.00 0.00 178.15 179.69 3kmp h TYR 88 N -0.68 0.00 -0.30 1.37 -1.99 -1.17 -2.51 116.97 111.68 3kmp h TYR 88 Ca -0.06 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 3kmp h TYR 88 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3kmp h TYR 88 CO -0.07 0.37 -0.33 0.00 -0.00 0.00 0.00 178.16 178.13 3kmp h ARG 90 N 0.55 1.11 0.14 0.00 3.08 -0.89 0.29 114.38 118.67 3kmp h ARG 90 Ca 0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kmp h ARG 90 Cb 0.83 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3kmp h ARG 90 CO 0.07 0.73 -0.07 0.28 -1.07 0.00 0.00 179.97 179.91 3kmp h VAL 91 N 1.14 0.96 -0.02 2.04 2.07 -1.30 -3.11 116.25 118.04 3kmp h VAL 91 Ca 0.32 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kmp h VAL 91 Cb -0.10 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3kmp h VAL 91 CO -0.08 0.11 -0.15 0.79 0.02 0.00 0.00 177.57 178.25 3kmp n TRP 92 N -5.08 0.00 0.12 1.57 8.01 -0.85 -4.86 117.44 116.35 3kmp n TRP 92 Ca -0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 3kmp n TRP 92 Cb 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 3kmp n TRP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3kmp n ARG 93 N 0.69 0.00 -3.85 -0.99 1.74 -0.09 -5.06 116.66 109.10 3kmp n ARG 93 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 3kmp n ARG 93 Cb 0.47 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.78 3kmp n ARG 93 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3kmp s TRP 94 N -1.80 2.94 0.61 -1.55 0.51 -0.18 -4.94 118.94 114.53 3kmp s TRP 94 Ca 0.00 -3.03 0.32 0.00 -2.12 0.00 0.00 56.10 51.28 3kmp s TRP 94 Cb 0.00 -2.49 1.86 0.00 -0.81 0.00 0.00 33.47 32.03 3kmp s TRP 94 CO 0.00 -0.69 2.18 -1.35 -0.51 0.00 0.00 176.95 176.57 3kmp h PRO 95 N 6.15 0.00 -0.53 4.98 0.11 -1.79 0.59 132.00 141.51 3kmp h PRO 95 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kmp h PRO 95 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kmp h PRO 95 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3kmp n ASP 96 N -3.57 3.34 -4.63 -2.05 5.75 -1.26 -4.96 116.55 109.16 3kmp n ASP 96 Ca -0.01 -1.98 -0.48 0.00 -0.01 0.00 0.00 54.79 52.31 3kmp n ASP 96 Cb 0.22 -0.35 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 3kmp n ASP 96 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kmp n LEU 97 N 1.35 2.38 -0.08 -2.12 7.94 0.20 -4.93 117.00 121.74 3kmp n LEU 97 Ca 0.21 1.11 -0.10 0.00 -1.11 0.00 0.00 56.01 56.11 3kmp n LEU 97 Cb 0.55 -1.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 3kmp n LEU 97 CO 0.15 -0.71 -0.23 1.56 -1.11 0.00 0.00 177.39 177.05 3kmp h GLN 98 N 4.93 0.00 0.00 1.96 1.08 -1.93 -3.49 115.11 117.66 3kmp h GLN 98 Ca -0.46 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 3kmp h GLN 98 Cb 1.30 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.73 3kmp h GLN 98 CO 0.81 0.44 0.21 -1.13 -0.95 0.00 0.00 178.83 178.21 3kmp n SER 99 N -4.59 -1.79 0.25 1.46 3.41 -1.26 -5.01 113.62 106.09 3kmp n SER 99 Ca -0.14 -2.25 0.17 0.00 -0.26 0.00 0.00 58.87 56.39 3kmp n SER 99 Cb 0.37 2.99 0.81 0.00 -0.26 0.00 0.00 64.21 68.11 3kmp n SER 99 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3kmp h HIS 100 N 1.78 0.00 0.00 7.33 2.07 -1.97 -1.54 115.15 122.82 3kmp h HIS 100 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 3kmp h HIS 100 Cb 0.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.95 3kmp h HIS 100 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 3kmp h HIS 101 N 0.00 0.00 -0.53 6.12 3.86 -1.96 -1.93 115.15 120.71 3kmp h HIS 101 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kmp h HIS 101 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3kmp h HIS 101 CO 0.00 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.18 3kmp n GLU 102 N -2.89 2.96 -4.70 2.45 1.02 -0.58 -4.48 120.64 114.41 3kmp n GLU 102 Ca 0.00 -2.21 -0.24 0.00 -0.02 0.00 0.00 57.16 54.69 3kmp n GLU 102 Cb 0.23 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.81 3kmp n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kmp s LEU 103 N -1.42 1.88 0.03 -4.62 1.43 -0.73 -0.29 118.68 114.97 3kmp s LEU 103 Ca 0.40 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3kmp s LEU 103 Cb 0.25 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 3kmp s LEU 103 CO 0.21 0.13 -0.16 -0.54 0.23 0.00 0.00 176.35 176.22 3kmp s LYS 104 N 0.07 1.11 0.32 1.70 1.02 -0.56 -4.93 119.74 118.47 3kmp s LYS 104 Ca -0.03 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 3kmp s LYS 104 Cb -0.10 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.98 3kmp s LYS 104 CO 0.02 0.29 0.98 -1.25 -0.92 0.00 0.00 175.35 174.47 3kmp s PRO 105 N -0.91 4.55 0.65 -1.68 0.04 -1.26 -0.15 135.00 136.24 3kmp s PRO 105 Ca 0.04 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 3kmp s PRO 105 Cb -0.07 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 3kmp s PRO 105 CO 0.01 0.22 1.05 -0.51 0.04 0.00 0.00 177.00 177.81 3kmp s LEU 106 N -1.97 3.27 0.39 -3.56 1.43 -0.46 -4.83 118.68 112.95 3kmp s LEU 106 Ca 0.50 1.64 0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3kmp s LEU 106 Cb -0.22 -4.50 0.81 0.00 0.03 0.00 0.00 46.19 42.31 3kmp s LEU 106 CO 0.28 -1.25 1.89 -0.33 0.23 0.00 0.00 176.35 177.17 3kmp h GLU 107 N -0.28 0.05 0.00 1.70 3.07 -1.97 -1.99 114.58 115.16 3kmp h GLU 107 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3kmp h GLU 107 Cb 1.21 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3kmp h GLU 107 CO 0.58 0.32 0.00 0.00 -1.40 0.00 0.00 179.01 178.51 3kmp n GLU 110 N 5.57 1.08 -2.65 0.00 4.07 -1.26 -4.45 120.64 122.99 3kmp n GLU 110 Ca 0.09 -0.76 -0.10 0.00 -0.06 0.00 0.00 57.16 56.33 3kmp n GLU 110 Cb 0.48 -1.48 0.03 0.00 -0.06 0.00 0.00 31.44 30.40 3kmp n GLU 110 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3kmp n PHE 111 N -0.29 1.53 -1.81 4.31 3.01 -1.26 -5.06 117.46 117.89 3kmp n PHE 111 Ca 0.11 -2.67 -0.34 0.00 1.01 0.00 0.00 57.45 55.56 3kmp n PHE 111 Cb 0.40 -0.31 0.04 0.00 -0.01 0.00 0.00 39.48 39.61 3kmp n PHE 111 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3kmp s PRO 112 N -3.33 2.82 0.19 -1.08 0.02 -1.26 0.05 135.00 132.40 3kmp s PRO 112 Ca 0.31 1.47 -0.24 0.00 0.02 0.00 0.00 61.00 62.56 3kmp s PRO 112 Cb 0.42 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 33.08 3kmp s PRO 112 CO -0.01 -1.25 1.55 0.35 -0.33 0.00 0.00 177.00 177.32 3kmp h PHE 113 N 0.20 -1.44 -0.16 6.54 3.04 -1.94 -1.18 116.94 122.01 3kmp h PHE 113 Ca -0.47 0.11 0.05 0.00 3.98 0.00 0.00 57.97 61.63 3kmp h PHE 113 Cb 1.26 0.76 -0.01 0.00 2.56 0.00 0.00 35.95 40.51 3kmp h PHE 113 CO 0.53 -0.40 0.19 0.78 -2.02 0.00 0.00 178.31 177.39 3kmp h GLY 114 N -0.04 0.00 1.88 2.40 0.00 -2.00 -2.58 103.07 102.73 3kmp h GLY 114 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3kmp h GLY 114 CO -0.92 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 174.48 3kmp n SER 115 N -3.74 0.00 -3.94 0.19 3.41 -0.44 -4.87 113.62 104.22 3kmp n SER 115 Ca 0.01 0.39 -0.35 0.00 -0.26 0.00 0.00 58.87 58.66 3kmp n SER 115 Cb 0.30 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3kmp n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kmp n LYS 116 N -1.44 -1.36 -3.38 4.33 5.02 -0.97 -4.96 118.16 115.39 3kmp n LYS 116 Ca 0.04 0.28 -0.22 0.00 -2.02 0.00 0.00 58.31 56.39 3kmp n LYS 116 Cb 0.14 -3.65 0.03 0.00 -0.02 0.00 0.00 35.03 31.53 3kmp n LYS 116 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kmp s GLN 117 N -6.74 2.29 0.20 1.97 -0.21 -1.26 -5.02 119.66 110.88 3kmp s GLN 117 Ca 0.32 -1.80 -0.11 0.00 0.02 0.00 0.00 55.36 53.79 3kmp s GLN 117 Cb -0.14 -2.42 0.25 0.00 1.00 0.00 0.00 33.01 31.69 3kmp s GLN 117 CO 0.92 -0.76 1.71 0.87 -2.12 0.00 0.00 175.29 175.90 3kmp h LYS 118 N 0.41 0.23 -6.02 2.91 1.57 -1.93 -3.42 116.57 110.33 3kmp h LYS 118 Ca -0.33 -0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 57.80 3kmp h LYS 118 Cb 1.29 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.48 3kmp h LYS 118 CO 0.47 0.15 -0.55 -1.21 -0.57 0.00 0.00 179.45 177.74 3kmp s GLU 119 N -6.12 3.14 -0.05 3.15 0.41 -1.26 0.17 118.70 118.14 3kmp s GLU 119 Ca -0.13 -0.53 0.03 0.00 -0.41 0.00 0.00 54.97 53.92 3kmp s GLU 119 Cb 0.17 -2.89 0.01 0.00 -1.78 0.00 0.00 34.13 29.64 3kmp s GLU 119 CO 0.73 0.61 -0.13 0.54 -0.49 0.00 0.00 175.26 176.52 3kmp s VAL 120 N -1.38 1.13 0.14 2.63 0.11 0.35 -4.79 120.40 118.59 3kmp s VAL 120 Ca 0.29 -0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 58.57 3kmp s VAL 120 Cb -0.12 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.65 3kmp s VAL 120 CO 0.22 0.34 0.80 0.00 -3.33 0.00 0.00 175.10 173.13 3kmp n ILE 122 N 1.98 0.61 -1.55 0.00 -6.64 0.38 -4.62 119.36 109.51 3kmp n ILE 122 Ca -0.04 -0.76 -0.46 0.00 -1.77 0.00 0.00 62.75 59.73 3kmp n ILE 122 Cb 0.49 0.73 -0.04 0.00 -1.44 0.00 0.00 39.64 39.37 3kmp n ILE 122 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3kmp n ASN 123 N -0.30 2.93 0.28 7.28 2.85 -1.21 -4.81 115.26 122.28 3kmp n ASN 123 Ca 0.00 0.31 0.16 0.00 -0.11 0.00 0.00 54.58 54.94 3kmp n ASN 123 Cb 0.19 -1.46 0.81 0.00 1.24 0.00 0.00 39.78 40.56 3kmp n ASN 123 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kmp h PRO 124 N 13.92 0.00 -0.46 1.20 0.11 -1.93 -0.95 132.00 143.89 3kmp h PRO 124 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kmp h PRO 124 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kmp h PRO 124 CO 0.98 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 3kmp n TYR 125 N -3.38 0.63 -0.51 0.65 4.01 -1.26 -3.06 117.16 114.24 3kmp n TYR 125 Ca -0.01 -0.30 0.10 0.00 -0.16 0.00 0.00 57.90 57.53 3kmp n TYR 125 Cb 0.23 -0.03 0.33 0.00 -0.31 0.00 0.00 39.34 39.56 3kmp n TYR 125 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kmp n HIS 126 N 0.71 1.22 -4.13 -0.72 8.25 -0.36 -4.93 115.22 115.26 3kmp n HIS 126 Ca 0.14 -0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 56.90 3kmp n HIS 126 Cb 0.40 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3kmp n HIS 126 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kmp s TYR 127 N -1.48 0.91 0.13 4.41 2.02 -1.17 -1.35 117.35 120.81 3kmp s TYR 127 Ca 0.49 -0.58 0.10 0.00 -0.37 0.00 0.00 57.07 56.70 3kmp s TYR 127 Cb 0.29 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 3kmp s TYR 127 CO 0.27 -0.04 -0.23 -1.59 -1.57 0.00 0.00 175.55 172.39 3kmp s LYS 128 N -2.21 1.28 -0.03 -0.62 -2.85 0.79 -4.86 119.74 111.24 3kmp s LYS 128 Ca -0.02 -1.29 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 3kmp s LYS 128 Cb -0.06 -1.60 -0.05 0.00 -2.06 0.00 0.00 37.83 34.06 3kmp s LYS 128 CO 0.00 0.37 0.37 0.50 0.10 0.00 0.00 175.35 176.69 3kmp s ARG 129 N -2.15 3.89 0.34 1.78 3.52 -1.26 -1.49 118.95 123.58 3kmp s ARG 129 Ca 0.12 0.32 0.07 0.00 -0.13 0.00 0.00 55.73 56.11 3kmp s ARG 129 Cb -0.09 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3kmp s ARG 129 CO 0.06 0.66 0.25 0.14 -0.81 0.00 0.00 175.30 175.60 3kmp s VAL 130 N -0.92 0.09 0.72 7.11 -7.23 0.61 -4.93 120.40 115.85 3kmp s VAL 130 Ca 0.22 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3kmp s VAL 130 Cb -0.16 -2.47 0.14 0.00 0.56 0.00 0.00 36.38 34.45 3kmp s VAL 130 CO 0.11 0.00 0.99 -1.61 -0.31 0.00 0.00 175.10 174.28 3kmp s GLU 131 N -3.49 1.65 0.00 4.82 0.41 -1.26 -4.54 118.70 116.28 3kmp s GLU 131 Ca 0.38 -1.35 0.00 0.00 -0.41 0.00 0.00 54.97 53.59 3kmp s GLU 131 Cb 0.02 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 3kmp s GLU 131 CO 0.25 -1.46 0.38 -1.13 -0.49 0.00 0.00 175.26 172.82