#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kck h VAL 2 N 0.00 1.23 0.00 2.03 2.07 -2.11 -3.48 116.25 116.00 2kck h VAL 2 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kck h VAL 2 Cb 0.00 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2kck h VAL 2 CO 0.00 0.28 0.00 -0.90 0.02 0.00 0.00 177.57 176.97 2kck n ASP 3 N -4.55 1.49 -0.26 0.57 5.75 -1.26 -5.02 116.55 113.26 2kck n ASP 3 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.73 2kck n ASP 3 Cb 0.22 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.43 2kck n ASP 3 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2kck h GLN 4 N 0.00 1.12 -5.80 0.11 7.50 -2.00 -3.48 115.11 112.56 2kck h GLN 4 Ca 0.00 -0.17 -0.16 0.00 0.50 0.00 0.00 58.65 58.82 2kck h GLN 4 Cb 0.00 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 27.34 2kck h GLN 4 CO 0.00 0.88 -0.79 -1.71 -1.50 0.00 0.00 178.83 175.71 2kck n ASN 5 N -4.31 -6.96 -1.40 1.46 4.05 -1.26 -4.71 115.26 102.13 2kck n ASN 5 Ca 0.07 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.35 2kck n ASN 5 Cb 0.15 -3.89 0.00 0.00 1.23 0.00 0.00 39.78 37.28 2kck n ASN 5 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2kck n PRO 6 N -0.27 0.31 0.27 1.20 -0.02 -1.26 -4.20 135.00 131.03 2kck n PRO 6 Ca 0.03 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.69 2kck n PRO 6 Cb 0.55 -1.35 0.92 0.00 -0.02 0.00 0.00 33.50 33.61 2kck n PRO 6 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2kck h GLU 7 N 2.18 0.00 -0.01 -0.52 4.81 -2.01 -0.36 114.58 118.67 2kck h GLU 7 Ca 0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2kck h GLU 7 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kck h GLU 7 CO 0.00 0.00 -0.97 0.93 -0.73 0.00 0.00 179.01 178.24 2kck h GLU 8 N 0.00 0.54 0.00 1.92 5.08 -1.95 -3.14 114.58 117.04 2kck h GLU 8 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2kck h GLU 8 Cb 0.13 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kck h GLU 8 CO 0.00 1.20 0.31 1.88 -1.00 0.00 0.00 179.01 181.40 2kck h TYR 9 N 0.31 0.00 0.00 4.33 -1.99 -1.41 -0.61 116.97 117.60 2kck h TYR 9 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2kck h TYR 9 Cb 1.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.34 2kck h TYR 9 CO 0.08 0.00 0.10 2.48 -0.00 0.00 0.00 178.16 180.82 2kck n TYR 10 N -2.33 0.28 0.16 4.88 4.11 -1.19 -2.51 117.16 120.55 2kck n TYR 10 Ca -0.01 0.14 0.13 0.00 -0.00 0.00 0.00 57.90 58.16 2kck n TYR 10 Cb 0.34 -0.65 0.35 0.00 -0.00 0.00 0.00 39.34 39.39 2kck n TYR 10 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.86 178.23 2kck h LEU 11 N 0.00 0.00 -0.32 -3.48 8.10 -1.38 0.32 115.31 118.55 2kck h LEU 11 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2kck h LEU 11 Cb 0.20 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.37 2kck h LEU 11 CO 0.00 0.00 -0.03 1.05 -4.11 0.00 0.00 178.44 175.35 2kck h GLU 12 N 0.00 0.05 -1.00 0.17 4.11 -1.78 -1.20 114.58 114.93 2kck h GLU 12 Ca 0.15 -0.00 0.37 0.00 0.07 0.00 0.00 59.36 59.95 2kck h GLU 12 Cb 1.90 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 31.01 2kck h GLU 12 CO -0.00 0.03 0.61 0.41 0.07 0.00 0.00 179.01 180.13 2kck n GLY 13 N -1.25 -0.65 0.12 1.06 0.00 0.11 0.80 105.19 105.39 2kck n GLY 13 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 2kck n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kck h VAL 14 N 0.00 0.88 -0.45 1.61 2.07 -1.40 -3.10 116.25 115.87 2kck h VAL 14 Ca 0.70 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2kck h VAL 14 Cb 2.12 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 33.34 2kck h VAL 14 CO -0.47 0.24 -0.40 -0.07 0.02 0.00 0.00 177.57 176.90 2kck h LEU 15 N -0.89 -1.38 -0.46 2.57 3.38 0.50 0.20 115.31 119.24 2kck h LEU 15 Ca -0.02 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2kck h LEU 15 Cb 0.53 0.58 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 2kck h LEU 15 CO 0.03 -0.23 -0.35 -0.61 0.09 0.00 0.00 178.44 177.37 2kck h GLN 16 N -0.17 -0.23 0.04 1.13 5.75 -1.39 2.56 115.11 122.81 2kck h GLN 16 Ca 0.07 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2kck h GLN 16 Cb 0.36 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 2kck h GLN 16 CO -0.51 -0.15 -0.47 -0.92 -2.65 0.00 0.00 178.83 174.13 2kck h TYR 17 N -0.24 -1.36 0.00 3.99 3.20 -1.03 -2.85 116.97 118.67 2kck h TYR 17 Ca 0.18 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2kck h TYR 17 Cb 0.55 0.59 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2kck h TYR 17 CO -0.59 -0.51 0.00 -3.47 -1.64 0.00 0.00 178.16 171.95 2kck n ASP 18 N -5.07 0.00 -4.47 -2.11 2.03 0.56 -4.54 116.55 102.95 2kck n ASP 18 Ca -0.07 0.47 -0.44 0.00 0.52 0.00 0.00 54.79 55.28 2kck n ASP 18 Cb 0.35 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kck s ALA 19 N -3.15 3.50 -0.83 -1.67 0.00 0.85 -4.94 121.76 115.52 2kck s ALA 19 Ca 0.00 -2.91 -0.21 0.00 0.00 0.00 0.00 51.96 48.84 2kck s ALA 19 Cb 0.00 -4.13 -0.18 0.00 0.00 0.00 0.00 23.12 18.80 2kck s ALA 19 CO 0.00 -2.98 1.90 0.41 0.00 0.00 0.00 175.76 175.09 2kck n GLY 20 N 5.19 -0.35 2.65 0.00 0.00 -1.07 -3.32 105.19 108.28 2kck n GLY 20 Ca 0.29 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 2kck n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kck n ASN 21 N 16.34 3.18 -0.34 1.61 4.13 -1.26 -4.91 115.26 134.00 2kck n ASN 21 Ca 0.33 -3.43 0.29 0.00 1.68 0.00 0.00 54.58 53.45 2kck n ASN 21 Cb 0.47 -0.57 0.54 0.00 -1.54 0.00 0.00 39.78 38.68 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2kck h TYR 22 N 2.96 0.84 -0.13 3.10 0.05 -1.94 0.70 116.97 122.56 2kck h TYR 22 Ca 0.12 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.94 2kck h TYR 22 Cb 0.71 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2kck h TYR 22 CO 0.70 -0.30 0.08 0.00 -1.05 0.00 0.00 178.16 177.58 2kck h THR 23 N 0.17 1.02 -0.48 -2.88 1.03 -1.92 -2.72 112.91 107.12 2kck h THR 23 Ca 0.79 -0.05 0.05 0.00 -0.01 0.00 0.00 66.41 67.19 2kck h THR 23 Cb 2.01 0.85 -0.05 0.00 -1.07 0.00 0.00 68.15 69.89 2kck h THR 23 CO -0.65 0.03 0.21 -0.08 -0.01 0.00 0.00 175.52 175.02 2kck h GLU 24 N 0.16 0.41 -0.62 0.00 4.57 -0.02 -0.30 114.58 118.77 2kck h GLU 24 Ca 0.05 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.38 2kck h GLU 24 Cb -0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2kck h GLU 24 CO -0.02 0.27 0.59 0.77 -1.18 0.00 0.00 179.01 179.44 2kck h SER 25 N 0.42 0.00 -0.60 1.04 0.02 -1.06 0.72 113.55 114.09 2kck h SER 25 Ca 0.22 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2kck h SER 25 Cb 0.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 2kck h SER 25 CO -0.19 0.00 0.35 -0.29 -1.14 0.00 0.00 176.83 175.56 2kck h ILE 26 N 0.00 1.03 -0.64 3.27 6.09 -0.92 0.52 117.51 126.86 2kck h ILE 26 Ca 0.29 -0.23 0.08 0.00 -1.37 0.00 0.00 64.86 63.63 2kck h ILE 26 Cb 1.47 0.29 -0.06 0.00 0.47 0.00 0.00 36.82 38.99 2kck h ILE 26 CO -0.00 0.12 0.30 0.44 -3.07 0.00 0.00 178.15 175.94 2kck h ASP 27 N 0.67 0.38 -0.34 2.19 3.32 -0.96 0.20 116.42 121.89 2kck h ASP 27 Ca 0.25 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 2kck h ASP 27 Cb 0.08 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2kck h ASP 27 CO -0.13 0.23 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.46 2kck h LEU 28 N 0.53 0.67 -0.17 1.55 -0.00 -1.41 -2.63 115.31 113.85 2kck h LEU 28 Ca 0.31 -0.37 0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2kck h LEU 28 Cb 0.31 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2kck h LEU 28 CO -0.25 0.89 0.09 -0.26 -0.00 0.00 0.00 178.44 178.91 2kck h PHE 29 N 0.45 0.17 -0.95 1.13 0.04 -0.12 -1.61 116.94 116.04 2kck h PHE 29 Ca 0.08 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.96 2kck h PHE 29 Cb 0.61 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.63 2kck h PHE 29 CO 0.05 0.10 0.59 1.49 -0.60 0.00 0.00 178.31 179.94 2kck h GLU 30 N 0.19 0.95 -0.33 1.51 4.57 -0.59 -0.61 114.58 120.27 2kck h GLU 30 Ca 0.07 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2kck h GLU 30 Cb 0.01 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2kck h GLU 30 CO -0.04 0.63 0.14 0.87 -1.18 0.00 0.00 179.01 179.42 2kck h LYS 31 N 0.98 0.48 0.14 1.92 1.57 -1.03 0.22 116.57 120.85 2kck h LYS 31 Ca 0.45 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 2kck h LYS 31 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2kck h LYS 31 CO -0.24 0.48 -0.07 0.00 -0.57 0.00 0.00 179.45 179.05 2kck h ALA 32 N 0.98 -0.19 -0.18 3.86 0.00 -0.40 0.48 119.26 123.81 2kck h ALA 32 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 32 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kck h ALA 32 CO -0.01 -0.61 0.11 0.82 0.00 0.00 0.00 179.25 179.56 2kck h ILE 33 N -0.20 1.07 -0.90 0.00 2.04 -1.06 -1.35 117.51 117.10 2kck h ILE 33 Ca -0.02 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.77 2kck h ILE 33 Cb 0.15 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2kck h ILE 33 CO 0.03 0.06 0.58 -0.61 0.00 0.00 0.00 178.15 178.22 2kck h GLN 34 N 0.22 0.90 -0.18 2.37 4.15 -0.38 -1.93 115.11 120.26 2kck h GLN 34 Ca 0.06 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2kck h GLN 34 Cb 0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 2kck h GLN 34 CO -0.01 0.59 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.41 2kck h LEU 35 N 0.92 0.31 -6.00 -2.39 3.38 -0.35 -3.45 115.31 107.73 2kck h LEU 35 Ca 0.42 -0.31 0.20 0.00 0.09 0.00 0.00 57.88 58.28 2kck h LEU 35 Cb 0.37 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 40.83 2kck h LEU 35 CO -0.18 0.54 0.04 -0.62 0.09 0.00 0.00 178.44 178.32 2kck s ASP 36 N -5.82 -0.66 -0.29 -0.43 2.15 -0.56 -5.11 116.67 105.96 2kck s ASP 36 Ca -0.14 0.40 -0.26 0.00 0.43 0.00 0.00 52.55 52.97 2kck s ASP 36 Cb 0.06 1.55 0.01 0.00 -0.30 0.00 0.00 42.92 44.23 2kck s ASP 36 CO 0.72 -0.12 0.94 -2.16 -0.17 0.00 0.00 175.17 174.38 2kck s PRO 37 N 2.93 4.08 0.00 4.34 0.04 -1.06 -4.56 135.00 140.78 2kck s PRO 37 Ca 0.05 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2kck s PRO 37 Cb -0.11 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2kck s PRO 37 CO -0.14 -0.72 0.00 -1.91 0.04 0.00 0.00 177.00 174.27 2kck n GLU 38 N 6.42 0.00 -3.04 4.56 2.13 -1.26 -5.09 120.64 124.37 2kck n GLU 38 Ca 0.08 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.46 2kck n GLU 38 Cb 0.47 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.15 2kck n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2kck s GLU 39 N 0.00 3.20 0.12 5.31 2.02 -1.26 -4.90 118.70 123.19 2kck s GLU 39 Ca 0.00 -1.38 -0.15 0.00 0.02 0.00 0.00 54.97 53.46 2kck s GLU 39 Cb 0.00 -4.39 -0.02 0.00 0.10 0.00 0.00 34.13 29.82 2kck s GLU 39 CO 0.00 -1.63 1.61 1.03 0.02 0.00 0.00 175.26 176.29 2kck h SER 40 N 9.11 0.61 -0.89 -0.19 0.87 -1.99 -2.64 113.55 118.43 2kck h SER 40 Ca -0.18 -0.25 0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2kck h SER 40 Cb 1.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 2kck h SER 40 CO 1.10 0.71 0.63 0.11 -0.53 0.00 0.00 176.83 178.84 2kck h LYS 41 N 0.49 0.08 0.12 2.24 1.79 -1.99 0.52 116.57 119.81 2kck h LYS 41 Ca 0.12 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.31 2kck h LYS 41 Cb 0.35 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2kck h LYS 41 CO 0.01 0.05 -1.21 1.88 -1.08 0.00 0.00 179.45 179.10 2kck h TYR 42 N 0.08 0.69 0.00 -1.35 -1.99 -1.89 -3.27 116.97 109.24 2kck h TYR 42 Ca 0.43 -0.46 -0.13 0.00 2.00 0.00 0.00 58.73 60.57 2kck h TYR 42 Cb 1.58 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 40.25 2kck h TYR 42 CO -0.00 1.33 -0.61 -1.49 -0.00 0.00 0.00 178.16 177.38 2kck h TRP 43 N 0.16 0.00 -0.92 4.88 -0.00 -0.45 -3.16 115.95 116.47 2kck h TRP 43 Ca -0.15 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.76 2kck h TRP 43 Cb 1.90 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 31.01 2kck h TRP 43 CO 0.08 0.61 0.60 1.25 -0.00 0.00 0.00 178.44 180.98 2kck h LEU 44 N 0.00 1.01 -0.83 -4.49 5.85 -0.18 -1.75 115.31 114.93 2kck h LEU 44 Ca -0.01 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2kck h LEU 44 Cb 1.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2kck h LEU 44 CO 0.08 0.71 -0.12 0.24 -0.34 0.00 0.00 178.44 179.01 2kck h MET 45 N 1.19 0.74 -0.22 1.25 2.86 -1.61 -3.01 114.93 116.12 2kck h MET 45 Ca 0.35 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2kck h MET 45 Cb -0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2kck h MET 45 CO -0.10 0.84 0.07 -0.22 1.06 0.00 0.00 176.91 178.55 2kck h LYS 46 N 0.67 0.16 -0.66 1.72 3.64 -1.35 -1.61 116.57 119.15 2kck h LYS 46 Ca 0.11 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 2kck h LYS 46 Cb 0.59 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 2kck h LYS 46 CO 0.04 0.11 0.27 0.78 -2.27 0.00 0.00 179.45 178.38 2kck h GLY 47 N 0.17 0.95 2.00 5.01 0.00 -1.32 0.11 103.07 109.98 2kck h GLY 47 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2kck h GLY 47 CO -0.11 -0.01 -0.16 0.50 0.00 0.00 0.00 176.54 176.76 2kck h LYS 48 N 0.46 0.00 0.02 4.80 1.57 -1.35 -1.11 116.57 120.97 2kck h LYS 48 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2kck h LYS 48 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2kck h LYS 48 CO -0.31 0.16 -0.01 0.00 -0.57 0.00 0.00 179.45 178.72 2kck h ALA 49 N 1.84 -0.03 -0.49 3.86 0.00 0.14 -1.66 119.26 122.92 2kck h ALA 49 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2kck h ALA 49 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kck h ALA 49 CO 0.02 -0.30 0.16 -0.07 0.00 0.00 0.00 179.25 179.05 2kck h LEU 50 N -0.45 0.72 -0.01 0.00 3.38 -1.11 -1.76 115.31 116.08 2kck h LEU 50 Ca -0.00 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kck h LEU 50 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2kck h LEU 50 CO 0.00 0.73 -0.05 0.22 0.09 0.00 0.00 178.44 179.44 2kck h TYR 51 N 0.66 -0.12 0.00 1.13 3.20 -1.09 -0.78 116.97 119.98 2kck h TYR 51 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2kck h TYR 51 Cb 0.27 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2kck h TYR 51 CO 0.01 -0.07 -0.05 -0.97 -1.64 0.00 0.00 178.16 175.44 2kck h ASN 52 N -0.08 0.00 0.00 -2.11 -1.24 -1.19 -0.88 115.58 110.08 2kck h ASN 52 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2kck h ASN 52 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2kck h ASN 52 CO -0.06 0.05 0.00 0.18 -1.29 0.00 0.00 177.43 176.31 2kck n LEU 53 N -3.88 0.59 0.00 0.34 4.32 -0.53 -4.78 117.00 113.07 2kck n LEU 53 Ca -0.03 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 2kck n LEU 53 Cb 0.14 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 2kck n LEU 53 CO 0.29 0.15 0.00 1.21 -1.22 0.00 0.00 177.39 177.82 2kck n GLU 54 N -0.16 -0.45 -3.41 3.23 2.13 -0.34 -4.96 120.64 116.67 2kck n GLU 54 Ca 0.00 0.11 -0.45 0.00 0.66 0.00 0.00 57.16 57.49 2kck n GLU 54 Cb 0.15 -3.46 -0.03 0.00 0.27 0.00 0.00 31.44 28.37 2kck n GLU 54 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kck s ARG 55 N -0.49 3.43 0.12 5.31 1.81 -0.41 -4.86 118.95 123.85 2kck s ARG 55 Ca 0.00 -2.55 -0.05 0.00 -1.72 0.00 0.00 55.73 51.41 2kck s ARG 55 Cb 0.00 -4.29 -0.13 0.00 -0.45 0.00 0.00 34.95 30.08 2kck s ARG 55 CO 0.00 -1.26 1.27 1.88 -0.68 0.00 0.00 175.30 176.50 2kck h TYR 56 N 7.51 0.62 -0.12 -0.53 -1.99 -1.80 -2.54 116.97 118.12 2kck h TYR 56 Ca 0.09 -0.36 -0.02 0.00 2.00 0.00 0.00 58.73 60.44 2kck h TYR 56 Cb 1.01 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 2kck h TYR 56 CO 0.95 1.19 -0.01 0.93 -0.00 0.00 0.00 178.16 181.23 2kck h GLU 57 N 0.21 0.22 -0.32 4.88 5.08 -1.95 -1.64 114.58 121.07 2kck h GLU 57 Ca -0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2kck h GLU 57 Cb 1.65 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2kck h GLU 57 CO 0.17 0.48 0.09 0.93 -1.00 0.00 0.00 179.01 179.68 2kck h GLU 58 N -0.06 0.50 -0.65 2.33 4.39 -1.94 -2.20 114.58 116.96 2kck h GLU 58 Ca 0.03 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.68 2kck h GLU 58 Cb 0.38 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2kck h GLU 58 CO 0.01 0.55 0.35 0.00 -1.16 0.00 0.00 179.01 178.76 2kck h ALA 59 N 0.92 0.87 -0.64 3.43 0.00 -1.45 -0.82 119.26 121.57 2kck h ALA 59 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kck h ALA 59 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2kck h ALA 59 CO -0.00 0.02 0.37 0.28 0.00 0.00 0.00 179.25 179.91 2kck h VAL 60 N 0.65 1.19 -0.63 0.00 2.07 -1.09 -1.65 116.25 116.79 2kck h VAL 60 Ca 0.29 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2kck h VAL 60 Cb 0.20 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2kck h VAL 60 CO -0.19 0.21 0.42 -0.78 0.02 0.00 0.00 177.57 177.24 2kck h ASP 61 N 0.89 0.67 -0.01 0.57 3.58 -0.51 -1.78 116.42 119.82 2kck h ASP 61 Ca 0.23 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2kck h ASP 61 Cb -0.00 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kck h ASP 61 CO -0.04 0.47 -0.02 0.00 -2.88 0.00 0.00 179.24 176.77 2kck h TYR 63 N -0.49 0.33 0.00 0.00 5.03 -1.03 0.55 116.97 121.37 2kck h TYR 63 Ca 0.00 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 2kck h TYR 63 Cb 0.56 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 2kck h TYR 63 CO 0.11 -0.03 -0.02 -0.91 -1.32 0.00 0.00 178.16 175.99 2kck h ASN 64 N 0.32 0.00 -0.18 -2.11 4.21 -1.33 -2.13 115.58 114.36 2kck h ASN 64 Ca 0.40 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.94 2kck h ASN 64 Cb 0.64 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 2kck h ASN 64 CO -0.46 0.02 0.01 0.22 -1.29 0.00 0.00 177.43 175.93 2kck h TYR 65 N 0.00 0.02 -0.28 1.19 5.03 0.31 1.66 116.97 124.89 2kck h TYR 65 Ca -0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 2kck h TYR 65 Cb 0.04 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2kck h TYR 65 CO 0.00 -0.01 0.01 0.28 -1.32 0.00 0.00 178.16 177.13 2kck h VAL 66 N 0.08 1.25 0.00 1.81 2.07 -1.26 0.65 116.25 120.85 2kck h VAL 66 Ca 0.08 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2kck h VAL 66 Cb 0.10 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2kck h VAL 66 CO -0.13 0.29 -0.34 0.40 0.02 0.00 0.00 177.57 177.80 2kck h ILE 67 N 0.29 0.89 0.00 4.57 5.03 -1.11 -1.48 117.51 125.71 2kck h ILE 67 Ca 0.08 -1.35 0.00 0.00 -0.12 0.00 0.00 64.86 63.47 2kck h ILE 67 Cb 0.40 1.82 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 2kck h ILE 67 CO 0.01 0.33 -0.04 -1.13 -0.68 0.00 0.00 178.15 176.65 2kck h ASN 68 N 0.00 0.00 -0.48 1.72 -0.73 0.27 -3.40 115.58 112.96 2kck h ASN 68 Ca -0.00 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.25 2kck h ASN 68 Cb 0.79 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.31 2kck h ASN 68 CO 0.04 0.07 0.04 0.58 -0.37 0.00 0.00 177.43 177.80 2kck h VAL 69 N -0.10 0.68 -3.59 2.57 2.07 0.18 -3.38 116.25 114.67 2kck h VAL 69 Ca 0.00 -0.06 -0.64 0.00 0.82 0.00 0.00 66.70 66.82 2kck h VAL 69 Cb 0.04 0.50 -0.22 0.00 -1.52 0.00 0.00 31.29 30.09 2kck h VAL 69 CO 0.00 0.03 -0.62 -0.63 0.02 0.00 0.00 177.57 176.37 2kck s ILE 70 N -6.16 4.38 0.54 4.57 1.01 -0.56 -4.97 121.20 120.01 2kck s ILE 70 Ca -0.13 -0.15 0.20 0.00 0.00 0.00 0.00 60.65 60.56 2kck s ILE 70 Cb 0.15 -3.03 0.30 0.00 0.01 0.00 0.00 42.46 39.89 2kck s ILE 70 CO 0.72 0.36 2.16 -0.08 0.00 0.00 0.00 174.94 178.10 2kck h GLU 71 N 7.97 0.00 -5.14 2.79 4.81 -1.75 -3.34 114.58 119.92 2kck h GLU 71 Ca -0.38 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.72 2kck h GLU 71 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2kck h GLU 71 CO 0.59 0.00 0.87 -0.25 -0.73 0.00 0.00 179.01 179.49 2kck n ASP 72 N -4.34 0.05 -0.61 1.04 8.00 -1.26 -4.58 116.55 114.85 2kck n ASP 72 Ca -0.02 -1.28 0.11 0.00 0.71 0.00 0.00 54.79 54.31 2kck n ASP 72 Cb 0.13 -1.13 0.03 0.00 -0.02 0.00 0.00 41.12 40.13 2kck n ASP 72 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kck n GLU 73 N 6.96 1.57 -0.98 -1.24 -0.00 -1.26 -4.50 120.64 121.18 2kck n GLU 73 Ca 0.47 -1.25 -0.14 0.00 -0.00 0.00 0.00 57.16 56.25 2kck n GLU 73 Cb 0.34 -1.44 -0.05 0.00 -0.00 0.00 0.00 31.44 30.29 2kck n GLU 73 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2kck n TYR 74 N 0.38 0.78 -3.59 -1.84 9.36 -1.26 -4.82 117.16 116.18 2kck n TYR 74 Ca 0.10 -1.61 -0.41 0.00 3.32 0.00 0.00 57.90 59.30 2kck n TYR 74 Cb 0.49 -1.13 -0.10 0.00 -0.63 0.00 0.00 39.34 37.96 2kck n TYR 74 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kck s ASN 75 N 1.13 5.69 0.33 2.98 -0.87 -1.26 -4.94 114.94 118.00 2kck s ASN 75 Ca 0.41 -1.40 0.03 0.00 -1.57 0.00 0.00 52.86 50.33 2kck s ASN 75 Cb 0.24 -2.01 0.58 0.00 -0.02 0.00 0.00 41.25 40.05 2kck s ASN 75 CO -0.06 -0.52 1.91 0.11 -2.57 0.00 0.00 177.10 175.98 2kck h LYS 76 N 8.44 0.69 -0.10 -0.60 1.57 -1.90 -0.30 116.57 124.36 2kck h LYS 76 Ca -0.24 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2kck h LYS 76 Cb 1.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2kck h LYS 76 CO 0.75 0.59 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.69 2kck h ASP 77 N 0.68 0.25 0.13 0.86 3.32 -1.96 -0.48 116.42 119.22 2kck h ASP 77 Ca 0.16 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 2kck h ASP 77 Cb 0.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2kck h ASP 77 CO -0.01 0.67 -0.06 0.58 -1.72 0.00 0.00 179.24 178.70 2kck h VAL 78 N -0.17 0.97 -0.75 -1.35 2.07 -1.93 -0.23 116.25 114.86 2kck h VAL 78 Ca 0.02 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kck h VAL 78 Cb 0.60 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2kck h VAL 78 CO 0.02 0.09 0.48 -0.50 0.02 0.00 0.00 177.57 177.69 2kck h TRP 79 N -0.36 0.91 -0.72 1.57 4.06 -1.13 -1.89 115.95 118.39 2kck h TRP 79 Ca -0.02 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2kck h TRP 79 Cb 0.29 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 2kck h TRP 79 CO -0.01 0.54 0.33 0.00 -3.56 0.00 0.00 178.44 175.74 2kck h ALA 80 N 1.30 1.22 -0.54 1.49 0.00 -0.93 -2.58 119.26 119.21 2kck h ALA 80 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kck h ALA 80 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2kck h ALA 80 CO -0.09 0.59 0.31 0.00 0.00 0.00 0.00 179.25 180.06 2kck h ALA 81 N 1.33 0.69 -0.97 0.00 0.00 -0.27 -2.52 119.26 117.51 2kck h ALA 81 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2kck h ALA 81 Cb 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2kck h ALA 81 CO -0.03 0.20 0.64 -0.22 0.00 0.00 0.00 179.25 179.84 2kck h LYS 82 N 0.73 1.21 -0.57 0.00 3.64 -1.03 -2.41 116.57 118.14 2kck h LYS 82 Ca 0.19 -0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 2kck h LYS 82 Cb 0.03 -0.27 -0.09 0.00 -0.41 0.00 0.00 32.23 31.48 2kck h LYS 82 CO -0.03 0.80 0.02 0.00 -2.27 0.00 0.00 179.45 177.97 2kck h ALA 83 N 1.38 0.56 -0.83 5.00 0.00 -1.08 0.15 119.26 124.45 2kck h ALA 83 Ca 0.38 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.53 2kck h ALA 83 Cb -0.04 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2kck h ALA 83 CO -0.11 -0.38 0.49 -0.44 0.00 0.00 0.00 179.25 178.81 2kck h ASP 84 N 0.14 0.74 -0.55 0.00 3.32 -1.38 0.64 116.42 119.32 2kck h ASP 84 Ca 0.29 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 2kck h ASP 84 Cb 0.46 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2kck h ASP 84 CO -0.47 0.45 0.09 0.00 -1.72 0.00 0.00 179.24 177.59 2kck h ALA 85 N 1.42 0.74 0.00 3.45 0.00 -0.76 -2.17 119.26 121.94 2kck h ALA 85 Ca 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kck h ALA 85 Cb 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kck h ALA 85 CO -0.21 0.48 -0.04 -0.07 0.00 0.00 0.00 179.25 179.41 2kck h LEU 86 N 0.81 0.00 -1.59 0.00 3.38 0.26 -2.85 115.31 115.32 2kck h LEU 86 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kck h LEU 86 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kck h LEU 86 CO 0.01 0.04 0.00 -1.14 0.09 0.00 0.00 178.44 177.44 2kck n ARG 87 N -3.20 0.68 -0.92 1.13 0.63 0.11 -2.29 116.66 112.80 2kck n ARG 87 Ca -0.01 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2kck n ARG 87 Cb 0.25 -1.23 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 2kck n ARG 87 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2kck n TYR 88 N 0.45 0.00 -4.60 -0.14 4.01 -1.07 -5.07 117.16 110.74 2kck n TYR 88 Ca 0.00 -0.39 -0.22 0.00 -0.16 0.00 0.00 57.90 57.12 2kck n TYR 88 Cb 0.27 0.40 -0.15 0.00 -0.31 0.00 0.00 39.34 39.55 2kck n TYR 88 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2kck s ILE 89 N 0.00 1.06 0.47 -0.72 2.07 -0.97 -4.99 121.20 118.12 2kck s ILE 89 Ca 0.02 -0.55 -0.14 0.00 -1.41 0.00 0.00 60.65 58.58 2kck s ILE 89 Cb 0.02 -0.90 -0.07 0.00 0.13 0.00 0.00 42.46 41.64 2kck s ILE 89 CO -0.01 0.31 0.89 -1.61 -1.91 0.00 0.00 174.94 172.61 2kck s GLU 90 N -0.13 3.86 0.00 3.50 2.02 -1.26 -4.95 118.70 121.74 2kck s GLU 90 Ca 0.02 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2kck s GLU 90 Cb -0.07 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.91 2kck s GLU 90 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2kck n GLY 91 N -1.51 1.00 3.78 -1.39 0.00 -1.26 -5.11 105.19 100.70 2kck n GLY 91 Ca 0.05 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 2kck n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kck s LYS 92 N -2.00 4.05 0.56 1.61 1.02 -1.26 -4.80 119.74 118.92 2kck s LYS 92 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2kck s LYS 92 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2kck s LYS 92 CO 0.00 -0.27 0.00 -1.91 -0.92 0.00 0.00 175.35 172.25 2kck n GLU 93 N -0.12 -3.66 -1.97 1.68 2.13 -1.26 -4.40 120.64 113.05 2kck n GLU 93 Ca 0.05 2.87 -0.28 0.00 0.66 0.00 0.00 57.16 60.47 2kck n GLU 93 Cb 0.48 -3.75 -0.05 0.00 0.27 0.00 0.00 31.44 28.40 2kck n GLU 93 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2kck s VAL 94 N -5.12 3.36 0.12 6.31 1.01 -1.26 -4.80 120.40 120.02 2kck s VAL 94 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2kck s VAL 94 Cb 0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2kck s VAL 94 CO 0.00 -0.78 1.74 -0.33 0.00 0.00 0.00 175.10 175.73 2kck h GLU 95 N 12.54 0.31 -0.56 2.72 5.08 -1.90 -1.76 114.58 131.01 2kck h GLU 95 Ca 0.00 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2kck h GLU 95 Cb 1.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2kck h GLU 95 CO 1.18 0.25 0.49 0.00 -1.00 0.00 0.00 179.01 179.93 2kck h ALA 96 N 1.04 2.39 -0.04 3.43 0.00 -1.87 0.10 119.26 124.31 2kck h ALA 96 Ca 0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2kck h ALA 96 Cb 0.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kck h ALA 96 CO -0.02 -0.78 -0.72 1.49 0.00 0.00 0.00 179.25 179.22 2kck h GLU 97 N 0.00 0.57 -0.24 0.00 4.81 -1.72 -1.02 114.58 116.98 2kck h GLU 97 Ca 0.27 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2kck h GLU 97 Cb 1.24 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2kck h GLU 97 CO -0.00 1.17 0.15 0.82 -0.73 0.00 0.00 179.01 180.43 2kck h ILE 98 N 0.16 1.08 -0.24 2.32 2.04 -0.53 0.20 117.51 122.54 2kck h ILE 98 Ca -0.08 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 2kck h ILE 98 Cb 1.39 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2kck h ILE 98 CO 0.14 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.21 2kck h ALA 99 N 1.07 0.34 -0.38 1.87 0.00 -1.42 0.61 119.26 121.35 2kck h ALA 99 Ca 0.09 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kck h ALA 99 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kck h ALA 99 CO -0.02 0.24 0.21 1.49 0.00 0.00 0.00 179.25 181.17 2kck h GLU 100 N 0.24 0.41 -0.27 0.00 4.57 -1.01 0.17 114.58 118.69 2kck h GLU 100 Ca 0.05 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 2kck h GLU 100 Cb 0.67 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2kck h GLU 100 CO 0.04 0.27 -0.11 0.00 -1.18 0.00 0.00 179.01 178.04 2kck h ALA 101 N 1.18 0.38 -0.73 2.92 0.00 -0.57 -2.81 119.26 119.64 2kck h ALA 101 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kck h ALA 101 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2kck h ALA 101 CO -0.09 0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.86 2kck h ARG 102 N 0.29 0.96 -0.74 0.00 3.08 -0.58 1.91 114.38 119.31 2kck h ARG 102 Ca 0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2kck h ARG 102 Cb 0.61 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2kck h ARG 102 CO 0.03 0.65 0.27 0.00 -1.07 0.00 0.00 179.97 179.86 2kck h ALA 103 N 1.53 0.96 0.00 0.04 0.00 -0.56 -2.85 119.26 118.39 2kck h ALA 103 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kck h ALA 103 Cb -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2kck h ALA 103 CO -0.06 0.61 -0.93 1.63 0.00 0.00 0.00 179.25 180.51 2kck n LYS 104 N -4.31 0.26 -3.63 0.00 5.02 -0.87 -4.80 118.16 109.83 2kck n LYS 104 Ca 0.06 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 2kck n LYS 104 Cb 0.20 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 2kck n LYS 104 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kck s LEU 105 N -3.86 4.29 0.00 -0.35 2.96 0.64 -4.80 118.68 117.56 2kck s LEU 105 Ca 0.05 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2kck s LEU 105 Cb 0.15 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2kck s LEU 105 CO 0.78 -0.24 0.00 -0.62 -1.32 0.00 0.00 176.35 174.95 2kck n GLU 106 N 5.00 1.48 -1.86 1.98 1.02 -1.26 -4.58 120.64 122.41 2kck n GLU 106 Ca -0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 2kck n GLU 106 Cb 0.49 -0.12 0.10 0.00 -0.02 0.00 0.00 31.44 31.88 2kck n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kck s HIS 107 N 0.00 2.89 0.36 -0.32 3.76 -1.26 -5.03 115.29 115.69 2kck s HIS 107 Ca 0.00 0.76 -0.25 0.00 -0.15 0.00 0.00 55.06 55.42 2kck s HIS 107 Cb 0.00 -3.49 -0.09 0.00 1.11 0.00 0.00 32.58 30.11 2kck s HIS 107 CO 0.00 -1.85 1.02 -1.01 -0.85 0.00 0.00 174.74 172.04 2kck s HIS 108 N -3.55 3.45 0.18 1.40 3.76 -1.26 -4.96 115.29 114.31 2kck s HIS 108 Ca 0.62 1.70 -0.09 0.00 -0.15 0.00 0.00 55.06 57.14 2kck s HIS 108 Cb -0.11 -3.07 0.06 0.00 1.11 0.00 0.00 32.58 30.56 2kck s HIS 108 CO 0.50 -0.32 1.59 0.45 -0.85 0.00 0.00 174.74 176.11 2kck h HIS 109 N 2.87 1.13 -2.79 1.40 3.86 -2.00 -3.42 115.15 116.20 2kck h HIS 109 Ca -0.48 -0.24 -0.56 0.00 -1.16 0.00 0.00 60.37 57.93 2kck h HIS 109 Cb 1.21 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 2kck h HIS 109 CO 0.59 1.06 1.03 -1.01 0.86 0.00 0.00 177.93 180.46 2kck s HIS 110 N -4.80 2.34 0.15 2.45 3.76 -1.26 -4.89 115.29 113.04 2kck s HIS 110 Ca -0.11 0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 2kck s HIS 110 Cb 0.13 -3.81 0.01 0.00 1.11 0.00 0.00 32.58 30.02 2kck s HIS 110 CO 0.86 -2.75 1.56 0.45 -0.85 0.00 0.00 174.74 174.01 2kck h HIS 111 N 9.45 1.09 0.00 1.40 -0.00 -2.03 -3.54 115.15 121.52 2kck h HIS 111 Ca -0.33 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 59.80 2kck h HIS 111 Cb 1.14 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2kck h HIS 111 CO 0.87 1.05 0.00 1.58 -0.00 0.00 0.00 177.93 181.42