#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmp s THR 10 N 0.00 0.35 0.39 -2.13 2.01 -1.26 -5.13 115.64 109.87 3kmp s THR 10 Ca 0.00 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 3kmp s THR 10 Cb 0.00 -0.33 -0.11 0.00 0.01 0.00 0.00 72.50 72.07 3kmp s THR 10 CO 0.00 0.12 1.35 -0.24 -0.69 0.00 0.00 174.62 175.16 3kmp n SER 11 N 3.29 2.99 -0.21 3.53 2.88 -1.26 -4.83 113.62 120.01 3kmp n SER 11 Ca -0.17 1.16 -0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3kmp n SER 11 Cb 0.56 -1.54 0.05 0.00 -0.75 0.00 0.00 64.21 62.53 3kmp n SER 11 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kmp h PRO 12 N 2.43 0.75 -0.72 -1.46 0.11 -2.00 0.20 132.00 131.30 3kmp h PRO 12 Ca -0.48 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3kmp h PRO 12 Cb 1.28 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3kmp h PRO 12 CO 0.62 0.49 0.48 0.00 -0.21 0.00 0.00 178.00 179.38 3kmp h ALA 13 N 1.24 0.92 -0.38 -0.75 0.00 -1.99 -0.33 119.26 117.97 3kmp h ALA 13 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3kmp h ALA 13 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kmp h ALA 13 CO -0.08 0.32 -0.11 0.28 0.00 0.00 0.00 179.25 179.67 3kmp h VAL 14 N 0.97 1.28 0.00 0.00 2.07 -1.74 -1.10 116.25 117.73 3kmp h VAL 14 Ca 0.27 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3kmp h VAL 14 Cb -0.10 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kmp h VAL 14 CO -0.06 0.40 -0.35 0.07 0.02 0.00 0.00 177.57 177.64 3kmp h LYS 15 N 0.55 0.00 0.37 1.57 2.10 -0.38 0.28 116.57 121.05 3kmp h LYS 15 Ca 0.10 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 3kmp h LYS 15 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 3kmp h LYS 15 CO 0.04 0.35 -0.18 0.00 -2.00 0.00 0.00 179.45 177.67 3kmp h ARG 16 N 0.00 -0.48 -0.80 0.07 3.08 -0.83 -1.20 114.38 114.23 3kmp h ARG 16 Ca -0.00 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.20 3kmp h ARG 16 Cb 0.76 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.84 3kmp h ARG 16 CO 0.05 -0.17 0.41 -0.07 -1.07 0.00 0.00 179.97 179.12 3kmp h LEU 17 N -0.80 0.53 -2.08 3.04 3.38 -0.89 0.11 115.31 118.61 3kmp h LEU 17 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kmp h LEU 17 Cb 0.52 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kmp h LEU 17 CO 0.08 0.27 -0.05 -0.07 0.09 0.00 0.00 178.44 178.76 3kmp h LEU 18 N 0.65 0.00 -1.12 1.67 3.38 -0.39 -1.54 115.31 117.97 3kmp h LEU 18 Ca 0.41 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.48 3kmp h LEU 18 Cb 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3kmp h LEU 18 CO -0.31 0.05 0.60 1.23 0.09 0.00 0.00 178.44 180.11 3kmp h GLY 19 N 0.99 1.43 0.05 0.83 0.00 0.52 -0.89 103.07 105.99 3kmp h GLY 19 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kmp h GLY 19 CO 0.01 0.20 0.00 0.79 0.00 0.00 0.00 176.54 177.53 3kmp n TRP 20 N -4.56 0.02 -1.88 5.60 7.02 -0.58 -4.92 117.44 118.15 3kmp n TRP 20 Ca 0.17 -0.01 -0.41 0.00 -1.02 0.00 0.00 57.50 56.23 3kmp n TRP 20 Cb 0.32 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.21 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 -1.98 4.17 -0.05 -0.99 2.20 -0.34 -4.96 119.74 117.78 3kmp s LYS 21 Ca 0.40 2.49 -0.28 0.00 -0.36 0.00 0.00 55.97 58.22 3kmp s LYS 21 Cb 0.20 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3kmp s LYS 21 CO 0.33 -0.45 0.91 -0.65 -0.36 0.00 0.00 175.35 175.12 3kmp s GLN 22 N -2.00 4.48 0.40 4.03 -1.52 -1.26 -5.05 119.66 118.73 3kmp s GLN 22 Ca 0.52 1.25 -0.20 0.00 -1.95 0.00 0.00 55.36 54.97 3kmp s GLN 22 Cb -0.45 -3.49 -0.11 0.00 -0.22 0.00 0.00 33.01 28.75 3kmp s GLN 22 CO 0.61 -0.11 0.91 0.20 -0.25 0.00 0.00 175.29 176.65 3kmp s GLY 23 N 1.00 2.42 0.65 3.09 0.00 -1.26 -5.09 107.32 108.13 3kmp s GLY 23 Ca 0.47 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.55 3kmp s GLY 23 CO 0.22 0.63 0.90 2.09 0.00 0.00 0.00 173.10 176.94 3kmp n ASP 24 N -0.46 1.47 -0.30 1.64 5.75 -1.26 -4.81 116.55 118.58 3kmp n ASP 24 Ca 0.06 -2.18 0.01 0.00 -0.01 0.00 0.00 54.79 52.67 3kmp n ASP 24 Cb 0.53 -0.56 0.14 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.90 -0.51 0.11 4.39 -1.98 0.49 114.58 117.97 3kmp h GLU 25 Ca -0.30 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.27 3kmp h GLU 25 Cb 1.16 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3kmp h GLU 25 CO 0.34 0.59 -0.01 1.49 -1.16 0.00 0.00 179.01 180.27 3kmp h GLU 26 N 0.92 0.90 -0.11 2.33 4.57 -1.99 -0.15 114.58 121.06 3kmp h GLU 26 Ca 0.38 -0.29 -0.20 0.00 -1.18 0.00 0.00 59.36 58.06 3kmp h GLU 26 Cb 0.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3kmp h GLU 26 CO -0.19 0.93 -0.76 1.49 -1.18 0.00 0.00 179.01 179.31 3kmp h GLU 27 N 0.77 0.57 -0.75 1.92 4.81 -1.67 -1.31 114.58 118.92 3kmp h GLU 27 Ca 0.14 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3kmp h GLU 27 Cb 0.53 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3kmp h GLU 27 CO 0.03 1.10 0.42 0.87 -0.73 0.00 0.00 179.01 180.70 3kmp h LYS 28 N 0.39 1.03 -0.32 1.92 1.57 -0.83 -1.88 116.57 118.44 3kmp h LYS 28 Ca -0.04 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3kmp h LYS 28 Cb 1.36 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3kmp h LYS 28 CO 0.14 0.75 0.12 2.35 -0.57 0.00 0.00 179.45 182.25 3kmp h TRP 29 N 1.03 0.50 -0.51 -1.35 7.01 -0.92 -2.50 115.95 119.21 3kmp h TRP 29 Ca 0.26 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.28 3kmp h TRP 29 Cb 0.01 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 3kmp h TRP 29 CO -0.00 0.48 0.34 0.00 -2.79 0.00 0.00 178.44 176.47 3kmp h ALA 30 N 0.96 1.87 -0.47 2.65 0.00 -1.01 0.47 119.26 123.73 3kmp h ALA 30 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kmp h ALA 30 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kmp h ALA 30 CO -0.01 0.05 0.07 0.93 0.00 0.00 0.00 179.25 180.29 3kmp h GLU 31 N 0.48 0.79 -0.79 0.00 5.08 -0.93 -1.30 114.58 117.91 3kmp h GLU 31 Ca 0.22 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kmp h GLU 31 Cb 0.25 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3kmp h GLU 31 CO -0.06 0.80 0.51 0.87 -1.00 0.00 0.00 179.01 180.13 3kmp h LYS 32 N 0.65 0.97 -0.20 2.33 1.57 -0.68 0.12 116.57 121.32 3kmp h LYS 32 Ca 0.14 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3kmp h LYS 32 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kmp h LYS 32 CO 0.01 0.64 -0.15 0.00 -0.57 0.00 0.00 179.45 179.38 3kmp h ALA 33 N 1.32 1.37 -0.05 3.86 0.00 -0.51 0.99 119.26 126.23 3kmp h ALA 33 Ca 0.31 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 3kmp h ALA 33 Cb -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kmp h ALA 33 CO -0.10 0.43 -0.92 0.28 0.00 0.00 0.00 179.25 178.95 3kmp h VAL 34 N 0.32 1.31 -0.19 0.00 2.07 -0.16 -2.08 116.25 117.51 3kmp h VAL 34 Ca 0.06 -2.19 0.03 0.00 0.82 0.00 0.00 66.70 65.43 3kmp h VAL 34 Cb 0.46 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3kmp h VAL 34 CO 0.03 0.68 -0.01 -0.78 0.02 0.00 0.00 177.57 177.50 3kmp h ASP 35 N 0.40 -0.10 -0.95 0.57 3.58 -0.27 -0.30 116.42 119.35 3kmp h ASP 35 Ca -0.09 0.05 0.12 0.00 0.42 0.00 0.00 57.03 57.52 3kmp h ASP 35 Cb 1.55 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 42.61 3kmp h ASP 35 CO 0.18 -0.03 0.61 0.00 -2.88 0.00 0.00 179.24 177.12 3kmp h ALA 36 N 1.17 1.60 -0.03 -0.78 0.00 -0.72 -1.87 119.26 118.64 3kmp h ALA 36 Ca 0.09 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3kmp h ALA 36 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kmp h ALA 36 CO -0.16 0.17 -0.90 1.25 0.00 0.00 0.00 179.25 179.61 3kmp h LEU 37 N 0.92 0.62 -0.77 0.00 5.85 -0.61 -2.98 115.31 118.34 3kmp h LEU 37 Ca 0.46 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3kmp h LEU 37 Cb 0.49 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3kmp h LEU 37 CO -0.23 1.26 0.26 0.58 -0.34 0.00 0.00 178.44 179.97 3kmp h VAL 38 N 0.29 1.26 -0.99 1.05 2.07 -0.61 -0.73 116.25 118.59 3kmp h VAL 38 Ca -0.08 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.65 3kmp h VAL 38 Cb 1.53 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 3kmp h VAL 38 CO 0.16 0.36 0.63 0.11 0.02 0.00 0.00 177.57 178.85 3kmp h LYS 39 N 1.14 1.01 -0.32 1.57 1.57 -1.20 -0.81 116.57 119.52 3kmp h LYS 39 Ca 0.25 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 3kmp h LYS 39 Cb 0.28 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kmp h LYS 39 CO -0.01 0.67 -0.47 0.87 -0.57 0.00 0.00 179.45 179.93 3kmp h LYS 40 N 1.04 0.88 0.00 3.15 1.57 -1.35 -3.35 116.57 118.51 3kmp h LYS 40 Ca 0.47 -0.52 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 3kmp h LYS 40 Cb 0.38 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3kmp h LYS 40 CO -0.23 1.16 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.85 3kmp h LEU 41 N 0.67 0.04 -2.09 2.94 3.38 0.17 -2.95 115.31 117.46 3kmp h LEU 41 Ca 0.03 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3kmp h LEU 41 Cb 1.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3kmp h LEU 41 CO 0.11 0.91 0.23 0.11 0.09 0.00 0.00 178.44 179.89 3kmp h LYS 42 N 0.01 0.00 0.00 1.13 1.57 -1.34 -1.52 116.57 116.43 3kmp h LYS 42 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kmp h LYS 42 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3kmp h LYS 42 CO 0.12 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 3kmp n LYS 43 N -4.18 0.74 -3.85 3.15 5.02 -1.12 -4.65 118.16 113.27 3kmp n LYS 43 Ca 0.04 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.07 3kmp n LYS 43 Cb 0.38 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.17 1.21 0.19 1.97 1.02 -0.57 -5.10 119.74 116.28 3kmp s LYS 44 Ca 0.37 -0.29 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 3kmp s LYS 44 Cb 0.19 -1.67 -0.10 0.00 -0.52 0.00 0.00 37.83 35.73 3kmp s LYS 44 CO 0.35 -0.38 1.55 0.15 -0.92 0.00 0.00 175.35 176.11 3kmp s LYS 45 N 1.75 4.22 0.00 1.68 -0.14 -1.26 -2.23 119.74 123.76 3kmp s LYS 45 Ca 0.03 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 3kmp s LYS 45 Cb -0.14 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 3kmp s LYS 45 CO -0.07 -0.58 0.00 0.41 -0.76 0.00 0.00 175.35 174.35 3kmp n GLY 46 N 3.43 3.14 0.30 -3.33 0.00 -1.26 -4.93 105.19 102.53 3kmp n GLY 46 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.70 -0.60 4.61 0.00 -1.70 0.16 119.26 121.03 3kmp h ALA 47 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kmp h ALA 47 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3kmp h ALA 47 CO 0.00 -0.86 0.34 0.52 0.00 0.00 0.00 179.25 179.25 3kmp h MET 48 N -0.76 0.64 -0.31 0.00 2.86 -1.76 0.96 114.93 116.55 3kmp h MET 48 Ca -0.07 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3kmp h MET 48 Cb 0.57 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3kmp h MET 48 CO 0.12 0.42 0.14 0.93 1.06 0.00 0.00 176.91 179.58 3kmp h GLU 49 N 0.66 0.45 -0.22 1.72 3.07 -1.92 -1.70 114.58 116.64 3kmp h GLU 49 Ca 0.26 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3kmp h GLU 49 Cb 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3kmp h GLU 49 CO -0.14 0.43 0.14 1.49 -1.40 0.00 0.00 179.01 179.52 3kmp h GLU 50 N 0.36 0.29 -0.75 2.33 4.57 -0.04 0.15 114.58 121.49 3kmp h GLU 50 Ca 0.11 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3kmp h GLU 50 Cb 0.13 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 3kmp h GLU 50 CO -0.01 0.22 0.39 1.25 -1.18 0.00 0.00 179.01 179.68 3kmp h LEU 51 N 0.28 0.97 -1.10 1.64 5.85 -0.77 -0.23 115.31 121.95 3kmp h LEU 51 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3kmp h LEU 51 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3kmp h LEU 51 CO -0.02 0.81 0.12 -0.08 -0.34 0.00 0.00 178.44 178.94 3kmp h GLU 52 N 1.05 0.77 -0.18 1.25 4.81 -0.98 -1.51 114.58 119.78 3kmp h GLU 52 Ca 0.26 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kmp h GLU 52 Cb 0.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3kmp h GLU 52 CO -0.04 0.69 0.10 0.87 -0.73 0.00 0.00 179.01 179.90 3kmp h LYS 53 N 0.74 0.26 -0.93 1.92 1.57 0.43 -1.21 116.57 119.35 3kmp h LYS 53 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3kmp h LYS 53 Cb 0.27 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3kmp h LYS 53 CO -0.00 0.25 0.54 0.00 -0.57 0.00 0.00 179.45 179.67 3kmp h ALA 54 N 0.99 1.21 -0.01 3.86 0.00 -0.72 0.11 119.26 124.71 3kmp h ALA 54 Ca 0.06 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3kmp h ALA 54 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kmp h ALA 54 CO -0.01 0.66 -0.81 -0.07 0.00 0.00 0.00 179.25 179.02 3kmp h LEU 55 N 1.28 0.19 0.02 0.00 3.38 -1.17 -3.27 115.31 115.76 3kmp h LEU 55 Ca 0.33 -0.15 -0.31 0.00 0.09 0.00 0.00 57.88 57.84 3kmp h LEU 55 Cb -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kmp h LEU 55 CO -0.06 0.92 -1.77 -1.54 0.09 0.00 0.00 178.44 176.09 3kmp n SER 56 N -3.68 1.11 -3.60 -0.43 3.41 -0.47 -4.45 113.62 105.52 3kmp n SER 56 Ca -0.03 0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 58.69 3kmp n SER 56 Cb 0.77 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 4.75 1.17 -0.19 0.00 0.11 -1.77 -2.42 132.00 133.65 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 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3kmp h PRO 58 CO 0.74 0.78 0.04 0.78 -0.21 0.00 0.00 178.00 180.12 3kmp h GLY 59 N 1.21 0.28 -6.17 -0.55 0.00 -1.92 -3.42 103.07 92.50 3kmp h GLY 59 Ca 0.39 -0.13 -0.60 0.00 0.00 0.00 0.00 47.33 46.99 3kmp h GLY 59 CO -0.13 0.12 0.08 1.20 0.00 0.00 0.00 176.54 177.82 3kmp s GLN 60 N -5.08 4.18 0.32 4.80 -0.21 -0.91 -5.04 119.66 117.73 3kmp s GLN 60 Ca -0.06 0.54 -0.25 0.00 0.02 0.00 0.00 55.36 55.60 3kmp s GLN 60 Cb 0.17 -3.59 -0.15 0.00 1.00 0.00 0.00 33.01 30.44 3kmp s GLN 60 CO 0.71 -0.25 0.60 -2.30 -2.12 0.00 0.00 175.29 171.93 3kmp n PRO 61 N 5.12 0.53 -4.20 2.91 -0.02 -1.26 -4.90 135.00 133.18 3kmp n PRO 61 Ca -0.02 0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 3kmp n PRO 61 Cb 0.50 -1.39 -0.10 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.88 0.83 0.66 2.55 1.04 -1.26 -5.02 113.70 111.62 3kmp s SER 62 Ca 0.62 -1.18 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 3kmp s SER 62 Cb -0.73 0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.60 3kmp s SER 62 CO 0.58 -0.64 1.01 0.20 0.98 0.00 0.00 173.24 175.38 3kmp s ASN 63 N -3.12 5.45 0.48 7.02 0.01 -1.26 -5.04 114.94 118.49 3kmp s ASN 63 Ca 0.24 0.90 -0.24 0.00 -0.71 0.00 0.00 52.86 53.05 3kmp s ASN 63 Cb 0.07 -1.77 -0.07 0.00 0.41 0.00 0.00 41.25 39.89 3kmp s ASN 63 CO 0.03 -1.25 1.40 0.00 -1.51 0.00 0.00 177.10 175.77 3kmp s VAL 65 N -1.23 1.12 0.21 0.00 1.01 -1.26 -5.02 120.40 115.24 3kmp s VAL 65 Ca 0.65 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3kmp s VAL 65 Cb -0.44 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3kmp s VAL 65 CO 0.55 -0.40 -0.01 0.42 0.00 0.00 0.00 175.10 175.65 3kmp s THR 66 N 1.54 3.54 0.19 3.92 -4.23 -1.26 -0.50 115.64 118.84 3kmp s THR 66 Ca 0.03 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3kmp s THR 66 Cb -0.18 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 3kmp s THR 66 CO -0.14 -0.22 -0.13 0.27 -0.54 0.00 0.00 174.62 173.86 3kmp s ILE 67 N -1.97 1.58 0.34 2.99 -4.36 -0.60 -4.92 121.20 114.27 3kmp s ILE 67 Ca 0.29 -2.17 -0.27 0.00 -0.26 0.00 0.00 60.65 58.24 3kmp s ILE 67 Cb -0.08 -2.02 -0.12 0.00 1.25 0.00 0.00 42.46 41.49 3kmp s ILE 67 CO 0.19 -0.62 1.09 -2.65 0.24 0.00 0.00 174.94 173.18 3kmp n PRO 68 N -0.34 1.57 -3.49 0.37 -0.02 -1.26 -0.62 135.00 131.21 3kmp n PRO 68 Ca -0.08 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 3kmp n PRO 68 Cb 0.61 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.78 4.02 0.76 -0.52 3.52 0.02 -4.70 118.95 120.27 3kmp s ARG 69 Ca 0.59 0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 56.45 3kmp s ARG 69 Cb -0.62 -3.29 0.08 0.00 -1.56 0.00 0.00 34.95 29.56 3kmp s ARG 69 CO 0.60 0.53 1.10 -1.54 -0.81 0.00 0.00 175.30 175.18 3kmp s SER 70 N -0.54 4.57 0.19 -2.12 1.04 -1.26 -4.96 113.70 110.61 3kmp s SER 70 Ca 0.23 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 3kmp s SER 70 Cb -0.16 -1.08 0.10 0.00 0.10 0.00 0.00 66.02 64.98 3kmp s SER 70 CO 0.11 -1.80 1.84 -0.07 0.98 0.00 0.00 173.24 174.31 3kmp h LEU 71 N -0.84 0.72 -0.55 2.42 3.38 -1.99 -2.75 115.31 115.71 3kmp h LEU 71 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kmp h LEU 71 Cb 1.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kmp h LEU 71 CO 0.60 0.54 -0.28 -0.90 0.09 0.00 0.00 178.44 178.50 3kmp n ASP 72 N -4.64 1.13 0.00 -0.43 5.75 -1.26 -4.96 116.55 112.14 3kmp n ASP 72 Ca 0.05 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 3kmp n ASP 72 Cb 0.03 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 1.35 2.93 3.75 6.12 0.00 -1.04 -5.04 105.19 113.25 3kmp n GLY 73 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.09 2.11 -0.01 1.61 0.52 -1.26 -4.45 118.95 117.39 3kmp s ARG 74 Ca 0.00 1.28 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 3kmp s ARG 74 Cb 0.00 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.58 3kmp s ARG 74 CO 0.00 -1.77 -0.16 -1.17 0.02 0.00 0.00 175.30 172.22 3kmp s LEU 75 N -5.88 2.04 -0.12 2.53 2.96 0.14 -4.55 118.68 115.80 3kmp s LEU 75 Ca 0.63 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3kmp s LEU 75 Cb -0.19 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 3kmp s LEU 75 CO 0.54 0.20 -0.12 -1.58 -1.32 0.00 0.00 176.35 174.07 3kmp s GLN 76 N -0.41 3.30 -0.09 1.98 0.74 -1.26 -1.27 119.66 122.64 3kmp s GLN 76 Ca 0.06 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 3kmp s GLN 76 Cb -0.06 -2.63 0.03 0.00 1.10 0.00 0.00 33.01 31.45 3kmp s GLN 76 CO -0.01 0.28 -0.02 0.08 -0.55 0.00 0.00 175.29 175.07 3kmp s VAL 77 N 0.20 0.57 -1.11 1.34 1.01 -0.17 -4.88 120.40 117.35 3kmp s VAL 77 Ca -0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3kmp s VAL 77 Cb -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3kmp s VAL 77 CO 0.05 0.26 0.69 -0.24 0.00 0.00 0.00 175.10 175.86 3kmp n SER 78 N 5.08 -4.60 0.00 3.32 2.88 -1.26 -1.85 113.62 117.19 3kmp n SER 78 Ca -0.09 -1.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 3kmp n SER 78 Cb 0.50 -2.08 0.00 0.00 -0.75 0.00 0.00 64.21 61.88 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 -4.36 0.00 -4.08 0.66 -0.00 -1.26 -4.96 115.22 101.22 3kmp n HIS 79 Ca -0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.22 3kmp n HIS 79 Cb 0.59 -0.44 -0.08 0.00 -0.00 0.00 0.00 29.99 30.06 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 -0.15 3.43 -0.12 -0.41 0.52 -0.77 -5.11 118.95 116.35 3kmp s ARG 80 Ca 0.00 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 3kmp s ARG 80 Cb 0.00 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3kmp s ARG 80 CO 0.00 0.62 -0.05 0.15 0.02 0.00 0.00 175.30 176.04 3kmp s LYS 81 N -0.61 3.28 0.35 3.54 1.02 -1.26 -1.00 119.74 125.05 3kmp s LYS 81 Ca 0.11 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 3kmp s LYS 81 Cb -0.12 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3kmp s LYS 81 CO 0.02 0.42 0.48 0.41 -0.92 0.00 0.00 175.35 175.77 3kmp n GLY 82 N 2.97 2.14 3.77 -3.33 0.00 -0.40 -4.94 105.19 105.40 3kmp n GLY 82 Ca -0.18 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 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 4.35 0.15 0.99 1.43 -1.26 0.26 118.68 124.60 3kmp s LEU 83 Ca 0.30 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.03 3kmp s LEU 83 Cb -0.01 -2.57 0.06 0.00 0.03 0.00 0.00 46.19 43.70 3kmp s LEU 83 CO 0.21 0.15 1.74 -0.65 0.23 0.00 0.00 176.35 178.03 3kmp h PRO 84 N 5.91 0.21 -0.66 1.29 0.11 -1.93 0.11 132.00 137.05 3kmp h PRO 84 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3kmp h PRO 84 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3kmp h PRO 84 CO 0.70 0.14 0.12 1.12 -0.21 0.00 0.00 178.00 179.87 3kmp h HIS 85 N 0.21 1.13 -0.42 0.65 2.07 -1.92 -0.94 115.15 115.92 3kmp h HIS 85 Ca 0.16 -0.14 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 3kmp h HIS 85 Cb 0.17 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 29.82 3kmp h HIS 85 CO -0.17 0.94 0.22 0.28 -3.07 0.00 0.00 177.93 176.12 3kmp h VAL 86 N 1.00 1.17 0.17 6.12 2.07 -1.74 0.55 116.25 125.59 3kmp h VAL 86 Ca 0.20 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kmp h VAL 86 Cb 0.41 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3kmp h VAL 86 CO 0.01 0.18 -0.19 0.40 0.02 0.00 0.00 177.57 177.99 3kmp h ILE 87 N 0.54 0.59 0.00 4.57 2.04 -0.38 -1.45 117.51 123.42 3kmp h ILE 87 Ca 0.15 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.87 3kmp h ILE 87 Cb 0.09 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3kmp h ILE 87 CO -0.02 0.00 -0.67 1.88 0.00 0.00 0.00 178.15 179.34 3kmp h TYR 88 N -0.40 0.00 -0.24 1.37 -1.99 -1.07 -2.60 116.97 112.04 3kmp h TYR 88 Ca 0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3kmp h TYR 88 Cb 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 3kmp h TYR 88 CO -0.15 0.67 -0.20 0.00 -0.00 0.00 0.00 178.16 178.47 3kmp h ARG 90 N 0.39 0.99 -0.15 0.00 3.08 -0.90 0.73 114.38 118.53 3kmp h ARG 90 Ca 0.07 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3kmp h ARG 90 Cb 0.58 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kmp h ARG 90 CO 0.04 0.88 -0.03 0.28 -1.07 0.00 0.00 179.97 180.07 3kmp h VAL 91 N 0.95 1.28 -0.01 2.04 2.07 -1.14 -3.15 116.25 118.28 3kmp h VAL 91 Ca 0.20 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3kmp h VAL 91 Cb 0.33 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3kmp h VAL 91 CO -0.00 0.28 -0.14 0.79 0.02 0.00 0.00 177.57 178.52 3kmp n TRP 92 N -4.72 0.00 0.14 1.57 8.01 -0.81 -4.86 117.44 116.77 3kmp n TRP 92 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3kmp n TRP 92 Cb 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.54 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 0.33 0.00 -3.81 -0.99 1.74 0.06 -5.06 116.66 108.93 3kmp n ARG 93 Ca 0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 3kmp n ARG 93 Cb 0.33 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.64 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 -1.93 2.74 0.59 -1.55 0.51 -0.10 -4.95 118.94 114.26 3kmp s TRP 94 Ca 0.00 -2.92 0.30 0.00 -2.12 0.00 0.00 56.10 51.36 3kmp s TRP 94 Cb 0.00 -2.33 1.78 0.00 -0.81 0.00 0.00 33.47 32.11 3kmp s TRP 94 CO 0.00 -0.70 2.19 -1.35 -0.51 0.00 0.00 176.95 176.58 3kmp h PRO 95 N 6.17 0.00 -0.57 4.98 0.11 -1.80 0.87 132.00 141.76 3kmp h PRO 95 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 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 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3kmp n ASP 96 N -3.78 3.39 -4.62 -2.05 5.75 -1.26 -4.96 116.55 109.03 3kmp n ASP 96 Ca -0.01 -1.98 -0.49 0.00 -0.01 0.00 0.00 54.79 52.29 3kmp n ASP 96 Cb 0.19 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.38 2.12 -0.07 -2.12 7.94 0.30 -4.94 117.00 121.61 3kmp n LEU 97 Ca 0.21 1.11 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 3kmp n LEU 97 Cb 0.55 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.18 3kmp n LEU 97 CO 0.15 -0.84 -0.17 1.56 -1.11 0.00 0.00 177.39 176.98 3kmp h GLN 98 N 4.73 0.00 0.00 1.96 1.08 -1.93 -3.50 115.11 117.45 3kmp h GLN 98 Ca -0.46 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 3kmp h GLN 98 Cb 1.31 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.75 3kmp h GLN 98 CO 0.79 0.38 0.21 -1.13 -0.95 0.00 0.00 178.83 178.13 3kmp n SER 99 N -4.62 -1.72 0.22 1.46 3.41 -1.26 -5.00 113.62 106.09 3kmp n SER 99 Ca -0.11 -2.19 0.15 0.00 -0.26 0.00 0.00 58.87 56.46 3kmp n SER 99 Cb 0.31 2.87 0.70 0.00 -0.26 0.00 0.00 64.21 67.84 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 1.74 0.00 0.00 7.33 2.07 -1.97 -1.64 115.15 122.68 3kmp h HIS 100 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 3kmp h HIS 100 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 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 -0.49 6.12 3.86 -1.95 -1.87 115.15 120.82 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 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 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 -2.98 2.87 -4.66 2.45 1.02 -0.62 -4.57 120.64 114.15 3kmp n GLU 102 Ca -0.00 -2.07 -0.24 0.00 -0.02 0.00 0.00 57.16 54.83 3kmp n GLU 102 Cb 0.24 -1.67 -0.16 0.00 -0.02 0.00 0.00 31.44 29.84 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 -1.39 1.85 0.01 -4.62 1.43 -0.70 0.14 118.68 115.40 3kmp s LEU 103 Ca 0.37 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3kmp s LEU 103 Cb 0.23 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 3kmp s LEU 103 CO 0.19 0.12 -0.18 -0.54 0.23 0.00 0.00 176.35 176.17 3kmp s LYS 104 N 0.13 1.36 0.30 1.70 1.02 -0.30 -4.91 119.74 119.03 3kmp s LYS 104 Ca -0.04 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 3kmp s LYS 104 Cb -0.11 -1.36 -0.09 0.00 -0.52 0.00 0.00 37.83 35.75 3kmp s LYS 104 CO 0.02 0.36 1.06 -1.25 -0.92 0.00 0.00 175.35 174.62 3kmp s PRO 105 N -0.72 4.58 0.66 -1.68 0.04 -1.26 0.29 135.00 136.92 3kmp s PRO 105 Ca 0.06 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 3kmp s PRO 105 Cb -0.07 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3kmp s PRO 105 CO 0.00 0.19 1.06 -0.51 0.04 0.00 0.00 177.00 177.79 3kmp s LEU 106 N -1.64 3.27 0.41 -3.56 1.43 -0.27 -4.85 118.68 113.48 3kmp s LEU 106 Ca 0.46 1.71 0.14 0.00 -1.03 0.00 0.00 54.13 55.42 3kmp s LEU 106 Cb -0.29 -4.51 0.88 0.00 0.03 0.00 0.00 46.19 42.30 3kmp s LEU 106 CO 0.37 -1.37 1.91 -0.33 0.23 0.00 0.00 176.35 177.16 3kmp h GLU 107 N -0.27 0.00 0.00 1.70 3.07 -1.97 -2.02 114.58 115.08 3kmp h GLU 107 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3kmp h GLU 107 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3kmp h GLU 107 CO 0.57 0.28 0.00 0.00 -1.40 0.00 0.00 179.01 178.45 3kmp h GLU 110 N 7.68 0.00 -1.16 0.00 4.81 -1.88 -3.39 114.58 120.64 3kmp h GLU 110 Ca -0.21 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.59 3kmp h GLU 110 Cb 1.07 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.04 3kmp h GLU 110 CO 0.96 0.00 -1.04 1.19 -0.73 0.00 0.00 179.01 179.39 3kmp n PHE 111 N -3.04 1.91 -1.92 0.92 3.01 -1.26 -5.07 117.46 112.01 3kmp n PHE 111 Ca 0.04 -2.89 -0.33 0.00 1.01 0.00 0.00 57.45 55.28 3kmp n PHE 111 Cb 0.51 -0.28 0.03 0.00 -0.01 0.00 0.00 39.48 39.73 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 -3.27 3.02 0.22 -1.08 0.02 -1.26 0.26 135.00 132.91 3kmp s PRO 112 Ca 0.34 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 3kmp s PRO 112 Cb 0.44 -1.98 0.24 0.00 0.02 0.00 0.00 34.50 33.22 3kmp s PRO 112 CO -0.04 -1.07 1.58 0.35 -0.33 0.00 0.00 177.00 177.48 3kmp h PHE 113 N 0.36 -0.84 0.00 6.54 3.04 -1.94 -0.60 116.94 123.50 3kmp h PHE 113 Ca -0.47 0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.56 3kmp h PHE 113 Cb 1.24 0.49 -0.00 0.00 2.56 0.00 0.00 35.95 40.24 3kmp h PHE 113 CO 0.55 -0.38 -0.00 0.78 -2.02 0.00 0.00 178.31 177.23 3kmp h GLY 114 N -0.06 0.00 1.89 2.40 0.00 -2.00 -2.65 103.07 102.65 3kmp h GLY 114 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3kmp h GLY 114 CO -0.84 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 174.56 3kmp n SER 115 N -3.67 0.00 -3.95 0.19 3.41 -0.23 -4.87 113.62 104.49 3kmp n SER 115 Ca -0.03 0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 58.63 3kmp n SER 115 Cb 0.08 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.53 -3.32 4.33 5.02 -1.00 -4.96 118.16 115.25 3kmp n LYS 116 Ca 0.04 0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 56.40 3kmp n LYS 116 Cb 0.15 -3.75 0.05 0.00 -0.02 0.00 0.00 35.03 31.46 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 -6.73 2.24 0.21 1.97 -0.21 -1.26 -5.02 119.66 110.86 3kmp s GLN 117 Ca 0.28 -1.81 -0.10 0.00 0.02 0.00 0.00 55.36 53.75 3kmp s GLN 117 Cb -0.12 -2.45 0.28 0.00 1.00 0.00 0.00 33.01 31.71 3kmp s GLN 117 CO 0.92 -0.85 1.74 0.87 -2.12 0.00 0.00 175.29 175.85 3kmp h LYS 118 N 0.31 0.39 -6.04 2.91 1.57 -1.94 -3.42 116.57 110.34 3kmp h LYS 118 Ca -0.31 -0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 57.81 3kmp h LYS 118 Cb 1.30 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 3kmp h LYS 118 CO 0.46 0.26 -0.56 -1.21 -0.57 0.00 0.00 179.45 177.82 3kmp s GLU 119 N -6.09 3.11 -0.05 3.15 0.41 -1.26 -0.80 118.70 117.17 3kmp s GLU 119 Ca -0.13 -0.55 0.03 0.00 -0.41 0.00 0.00 54.97 53.91 3kmp s GLU 119 Cb 0.17 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3kmp s GLU 119 CO 0.74 0.60 -0.14 0.54 -0.49 0.00 0.00 175.26 176.51 3kmp s VAL 120 N -1.37 1.24 0.16 2.63 0.11 0.21 -4.80 120.40 118.58 3kmp s VAL 120 Ca 0.29 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.48 3kmp s VAL 120 Cb -0.12 -1.09 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 3kmp s VAL 120 CO 0.22 0.37 0.83 0.00 -3.33 0.00 0.00 175.10 173.18 3kmp n ILE 122 N 1.82 0.77 -1.68 0.00 -6.64 0.35 -4.60 119.36 109.37 3kmp n ILE 122 Ca -0.04 -0.77 -0.43 0.00 -1.77 0.00 0.00 62.75 59.74 3kmp n ILE 122 Cb 0.48 0.62 -0.03 0.00 -1.44 0.00 0.00 39.64 39.28 3kmp n ILE 122 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 3kmp s ASN 123 N -0.77 5.65 0.55 7.28 3.84 -1.22 -4.81 114.94 125.46 3kmp s ASN 123 Ca 0.00 1.90 0.28 0.00 0.21 0.00 0.00 52.86 55.24 3kmp s ASN 123 Cb 0.00 -2.52 1.57 0.00 -0.55 0.00 0.00 41.25 39.76 3kmp s ASN 123 CO 0.00 -1.81 2.14 -0.65 -2.79 0.00 0.00 177.10 173.99 3kmp h PRO 124 N 14.16 0.00 -0.41 0.43 0.11 -1.93 -0.85 132.00 143.50 3kmp h PRO 124 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kmp h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kmp h PRO 124 CO 0.97 0.08 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 3kmp n TYR 125 N -3.76 0.55 -0.57 0.65 4.01 -1.26 -3.04 117.16 113.74 3kmp n TYR 125 Ca -0.02 -0.27 0.10 0.00 -0.16 0.00 0.00 57.90 57.55 3kmp n TYR 125 Cb 0.18 -0.01 0.36 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.65 1.41 -4.10 -0.72 8.25 -0.33 -4.93 115.22 115.46 3kmp n HIS 126 Ca 0.13 -0.58 -0.13 0.00 -0.26 0.00 0.00 57.72 56.88 3kmp n HIS 126 Cb 0.35 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.68 0.78 0.14 4.41 2.02 -1.17 -1.11 117.35 120.73 3kmp s TYR 127 Ca 0.52 -0.59 0.09 0.00 -0.37 0.00 0.00 57.07 56.72 3kmp s TYR 127 Cb 0.32 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 3kmp s TYR 127 CO 0.27 -0.08 -0.20 -1.59 -1.57 0.00 0.00 175.55 172.38 3kmp s LYS 128 N -2.10 1.22 -0.03 -0.62 -2.85 0.15 -4.86 119.74 110.65 3kmp s LYS 128 Ca -0.04 -1.30 -0.14 0.00 -1.00 0.00 0.00 55.97 53.50 3kmp s LYS 128 Cb -0.07 -1.42 -0.05 0.00 -2.06 0.00 0.00 37.83 34.24 3kmp s LYS 128 CO -0.00 0.31 0.36 0.50 0.10 0.00 0.00 175.35 176.62 3kmp s ARG 129 N -2.33 3.87 0.28 1.78 3.52 -1.26 -1.15 118.95 123.65 3kmp s ARG 129 Ca 0.12 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3kmp s ARG 129 Cb -0.08 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3kmp s ARG 129 CO 0.06 0.67 0.19 1.33 -0.81 0.00 0.00 175.30 176.74 3kmp n VAL 130 N 1.97 0.00 -2.47 7.11 0.24 0.12 -4.91 118.33 120.40 3kmp n VAL 130 Ca -0.15 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 3kmp n VAL 130 Cb 0.53 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3kmp n VAL 130 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kmp n GLU 131 N -0.57 2.14 0.00 7.34 -0.58 -1.26 -4.52 120.64 123.19 3kmp n GLU 131 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3kmp n GLU 131 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 3kmp n GLU 131 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52