#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 1.26 -5.74 2.03 -1.51 -2.08 -3.48 116.25 106.73 2kck h VAL 2 Ca 0.00 -0.83 -0.14 0.00 -1.23 0.00 0.00 66.70 64.49 2kck h VAL 2 Cb 0.00 0.33 0.01 0.00 -2.13 0.00 0.00 31.29 29.49 2kck h VAL 2 CO 0.00 0.34 -0.76 0.47 -1.23 0.00 0.00 177.57 176.39 2kck n ASP 3 N -4.28 -7.08 -4.73 4.19 8.00 -1.26 -4.88 116.55 106.52 2kck n ASP 3 Ca 0.07 0.29 -0.42 0.00 0.71 0.00 0.00 54.79 55.44 2kck n ASP 3 Cb 0.19 -4.05 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 2kck n ASP 3 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kck s GLN 4 N -2.55 4.35 0.53 -1.24 -1.52 -1.26 -4.98 119.66 112.99 2kck s GLN 4 Ca 0.30 2.08 -0.21 0.00 -1.95 0.00 0.00 55.36 55.57 2kck s GLN 4 Cb -0.06 -3.22 -0.05 0.00 -0.22 0.00 0.00 33.01 29.46 2kck s GLN 4 CO 0.81 -0.36 1.26 0.54 -0.25 0.00 0.00 175.29 177.29 2kck s ASN 5 N 0.75 5.49 0.00 5.90 2.20 -1.26 -4.95 114.94 123.08 2kck s ASN 5 Ca 0.61 2.54 0.00 0.00 -0.94 0.00 0.00 52.86 55.07 2kck s ASN 5 Cb -0.37 -2.62 0.00 0.00 -2.00 0.00 0.00 41.25 36.26 2kck s ASN 5 CO 0.34 -1.40 0.00 -0.81 -2.94 0.00 0.00 177.10 172.29 2kck n PRO 6 N -1.03 0.00 0.00 3.55 -0.04 -1.26 -4.76 135.00 131.46 2kck n PRO 6 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kck n PRO 6 Cb 0.47 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2kck n PRO 6 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kck n GLU 7 N 0.00 0.00 0.07 0.54 1.02 -1.26 -4.25 120.64 116.76 2kck n GLU 7 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kck n GLU 7 Cb 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 31.44 31.32 2kck n GLU 7 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kck h GLU 8 N 0.00 0.40 0.00 3.49 5.08 -2.02 -3.14 114.58 118.39 2kck h GLU 8 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2kck h GLU 8 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kck h GLU 8 CO 0.00 1.14 0.05 0.66 -1.00 0.00 0.00 179.01 179.86 2kck n TYR 9 N -3.72 0.00 0.51 4.33 4.02 -1.26 -1.52 117.16 119.52 2kck n TYR 9 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.89 2kck n TYR 9 Cb 0.87 -0.18 0.32 0.00 -0.02 0.00 0.00 39.34 40.33 2kck n TYR 9 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2kck n TYR 10 N -1.12 0.01 0.11 -0.72 4.11 -1.19 -3.12 117.16 115.24 2kck n TYR 10 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 2kck n TYR 10 Cb 0.05 -0.51 0.22 0.00 -0.00 0.00 0.00 39.34 39.10 2kck n TYR 10 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 2kck n LEU 11 N -1.51 0.21 0.13 -3.48 -0.00 -0.58 -1.17 117.00 110.60 2kck n LEU 11 Ca 0.04 0.44 -0.14 0.00 -0.00 0.00 0.00 56.01 56.35 2kck n LEU 11 Cb 0.17 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.13 2kck n LEU 11 CO 0.14 -0.51 0.73 -0.08 -0.00 0.00 0.00 177.39 177.66 2kck h GLU 12 N 0.00 -0.28 -1.52 1.47 4.81 -1.84 -2.36 114.58 114.86 2kck h GLU 12 Ca 0.00 0.02 0.44 0.00 -0.13 0.00 0.00 59.36 59.69 2kck h GLU 12 Cb 0.63 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 2kck h GLU 12 CO 0.00 -0.09 1.11 0.41 -0.73 0.00 0.00 179.01 179.70 2kck n GLY 13 N -0.87 -0.77 0.07 1.92 0.00 -0.32 0.16 105.19 105.37 2kck n GLY 13 Ca -0.09 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 1.29 -0.17 1.61 2.07 -1.62 -3.21 116.25 116.22 2kck h VAL 14 Ca 0.72 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2kck h VAL 14 Cb 2.93 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 35.11 2kck h VAL 14 CO -0.01 0.44 -0.18 -0.07 0.02 0.00 0.00 177.57 177.76 2kck h LEU 15 N -1.00 -0.63 -0.55 2.57 3.38 0.16 0.60 115.31 119.84 2kck h LEU 15 Ca -0.01 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2kck h LEU 15 Cb 0.74 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2kck h LEU 15 CO -0.01 -0.12 -0.32 1.56 0.09 0.00 0.00 178.44 179.65 2kck h GLN 16 N -0.10 -0.16 0.25 1.13 4.20 -1.45 2.00 115.11 120.96 2kck h GLN 16 Ca 0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2kck h GLN 16 Cb 0.18 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2kck h GLN 16 CO -0.22 -0.11 -0.46 1.88 -0.67 0.00 0.00 178.83 179.25 2kck h TYR 17 N -0.17 -1.32 0.00 2.96 0.05 -1.26 -3.37 116.97 113.86 2kck h TYR 17 Ca 0.23 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2kck h TYR 17 Cb 0.54 0.54 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2kck h TYR 17 CO -0.60 -0.56 0.00 -0.25 -1.05 0.00 0.00 178.16 175.70 2kck n ASP 18 N -5.14 0.00 -4.63 3.88 9.92 0.20 -4.72 116.55 116.07 2kck n ASP 18 Ca -0.09 0.32 -0.43 0.00 -0.53 0.00 0.00 54.79 54.06 2kck n ASP 18 Cb 0.38 -0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kck s ALA 19 N -3.33 3.26 -1.01 2.24 0.00 0.67 -4.89 121.76 118.71 2kck s ALA 19 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 2kck s ALA 19 Cb 0.00 -3.85 -0.14 0.00 0.00 0.00 0.00 23.12 19.12 2kck s ALA 19 CO 0.00 -1.96 3.06 0.41 0.00 0.00 0.00 175.76 177.26 2kck n GLY 20 N 4.67 3.68 2.73 0.00 0.00 -1.26 -3.23 105.19 111.77 2kck n GLY 20 Ca 0.19 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 2kck n GLY 20 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kck n ASN 21 N 3.27 4.14 -0.36 1.61 0.23 -1.26 -4.89 115.26 118.01 2kck n ASN 21 Ca 0.63 -3.60 0.29 0.00 -0.53 0.00 0.00 54.58 51.36 2kck n ASN 21 Cb 0.44 -0.53 0.55 0.00 -2.08 0.00 0.00 39.78 38.15 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2kck h TYR 22 N 2.86 0.79 -0.02 -2.53 0.05 -1.91 0.49 116.97 116.70 2kck h TYR 22 Ca 0.17 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.00 2kck h TYR 22 Cb 0.69 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2kck h TYR 22 CO 0.79 -0.23 -0.09 0.00 -1.05 0.00 0.00 178.16 177.58 2kck h THR 23 N 0.20 0.78 -0.75 -2.88 1.03 -1.95 -2.38 112.91 106.96 2kck h THR 23 Ca 0.77 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 67.28 2kck h THR 23 Cb 2.01 0.78 -0.08 0.00 -1.07 0.00 0.00 68.15 69.79 2kck h THR 23 CO -0.57 0.00 0.36 -0.33 -0.01 0.00 0.00 175.52 174.97 2kck h GLU 24 N -0.14 0.57 -0.59 0.00 5.08 -0.44 0.53 114.58 119.59 2kck h GLU 24 Ca 0.04 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 2kck h GLU 24 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2kck h GLU 24 CO -0.10 0.37 0.82 0.66 -1.00 0.00 0.00 179.01 179.76 2kck h SER 25 N 0.58 0.00 -0.80 1.42 4.64 -0.99 0.54 113.55 118.94 2kck h SER 25 Ca 0.38 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.76 2kck h SER 25 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 2kck h SER 25 CO -0.31 0.00 0.49 0.40 -0.87 0.00 0.00 176.83 176.54 2kck h ILE 26 N 0.00 1.02 0.07 0.95 2.04 -0.92 0.18 117.51 120.85 2kck h ILE 26 Ca 0.28 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2kck h ILE 26 Cb 1.91 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2kck h ILE 26 CO -0.00 0.16 -0.12 -0.78 0.00 0.00 0.00 178.15 177.41 2kck h ASP 27 N 0.89 -0.32 -0.46 1.72 3.58 -0.08 0.28 116.42 122.02 2kck h ASP 27 Ca 0.35 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 2kck h ASP 27 Cb 0.17 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2kck h ASP 27 CO -0.17 -0.17 0.22 -0.07 -2.88 0.00 0.00 179.24 176.16 2kck h LEU 28 N -0.23 0.61 -0.09 2.28 -0.00 -1.51 -2.34 115.31 114.03 2kck h LEU 28 Ca 0.02 -0.13 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2kck h LEU 28 Cb 0.25 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2kck h LEU 28 CO -0.06 0.57 0.01 0.15 -0.00 0.00 0.00 178.44 179.10 2kck h PHE 29 N 0.60 0.01 -0.93 1.13 3.04 -0.34 -0.67 116.94 119.79 2kck h PHE 29 Ca 0.16 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.28 2kck h PHE 29 Cb 0.13 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 38.57 2kck h PHE 29 CO -0.01 -0.00 0.59 1.49 -2.02 0.00 0.00 178.31 178.36 2kck h GLU 30 N 0.04 0.65 -0.10 1.11 4.81 -0.28 -0.57 114.58 120.25 2kck h GLU 30 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kck h GLU 30 Cb 0.04 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2kck h GLU 30 CO -0.06 0.43 -0.09 0.87 -0.73 0.00 0.00 179.01 179.44 2kck h LYS 31 N 0.67 0.23 0.16 1.92 1.57 -0.80 -0.87 116.57 119.47 2kck h LYS 31 Ca 0.48 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2kck h LYS 31 Cb 0.83 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 2kck h LYS 31 CO -0.24 0.64 -0.27 0.00 -0.57 0.00 0.00 179.45 179.01 2kck h ALA 32 N 0.59 -0.49 -0.69 3.86 0.00 -0.04 -2.15 119.26 120.35 2kck h ALA 32 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kck h ALA 32 Cb 0.59 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2kck h ALA 32 CO 0.02 -0.82 0.44 0.82 0.00 0.00 0.00 179.25 179.72 2kck h ILE 33 N -0.50 1.12 -0.95 0.00 5.03 -1.21 -1.52 117.51 119.47 2kck h ILE 33 Ca 0.02 -0.30 0.24 0.00 -0.12 0.00 0.00 64.86 64.70 2kck h ILE 33 Cb 0.51 0.17 -0.06 0.00 -3.03 0.00 0.00 36.82 34.41 2kck h ILE 33 CO -0.13 0.16 0.64 -0.61 -0.68 0.00 0.00 178.15 177.54 2kck h GLN 34 N 0.87 0.24 -0.15 2.37 4.15 -0.54 0.36 115.11 122.41 2kck h GLN 34 Ca 0.27 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.45 2kck h GLN 34 Cb -0.02 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.62 2kck h GLN 34 CO -0.09 0.16 -0.78 -0.07 -1.93 0.00 0.00 178.83 176.12 2kck h LEU 35 N 0.25 0.93 -6.17 -2.39 3.38 -0.68 -3.46 115.31 107.17 2kck h LEU 35 Ca 0.49 -0.61 0.22 0.00 0.09 0.00 0.00 57.88 58.07 2kck h LEU 35 Cb 1.49 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 2kck h LEU 35 CO -0.13 1.41 0.25 1.51 0.09 0.00 0.00 178.44 181.56 2kck s ASP 36 N -7.10 -0.41 -0.07 -0.43 -4.77 0.13 -4.92 116.67 99.09 2kck s ASP 36 Ca -0.10 0.41 0.02 0.00 -3.30 0.00 0.00 52.55 49.58 2kck s ASP 36 Cb 0.09 1.41 0.16 0.00 -1.09 0.00 0.00 42.92 43.48 2kck s ASP 36 CO 0.90 -0.08 0.96 -0.81 0.70 0.00 0.00 175.17 176.85 2kck n PRO 37 N 5.12 1.57 0.00 2.11 -0.04 -1.10 -3.82 135.00 138.85 2kck n PRO 37 Ca -0.08 -0.66 0.13 0.00 -0.04 0.00 0.00 63.50 62.86 2kck n PRO 37 Cb 0.54 -1.47 0.38 0.00 -0.04 0.00 0.00 33.50 32.90 2kck n PRO 37 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kck n GLU 38 N 0.14 0.58 -2.99 0.54 0.28 -1.26 -4.73 120.64 113.20 2kck n GLU 38 Ca 0.09 -0.32 -0.44 0.00 -0.16 0.00 0.00 57.16 56.33 2kck n GLU 38 Cb 0.59 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.93 2kck n GLU 38 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kck s GLU 39 N -2.64 3.10 0.09 3.44 -1.05 -1.25 -4.90 118.70 115.50 2kck s GLU 39 Ca 0.21 -1.15 -0.17 0.00 -0.15 0.00 0.00 54.97 53.71 2kck s GLU 39 Cb 0.19 -4.28 -0.07 0.00 -0.44 0.00 0.00 34.13 29.53 2kck s GLU 39 CO 0.56 -1.67 1.52 0.66 0.95 0.00 0.00 175.26 177.28 2kck h SER 40 N 9.32 0.51 -1.05 0.83 4.64 -1.95 -2.79 113.55 123.06 2kck h SER 40 Ca -0.27 -0.32 0.30 0.00 -0.47 0.00 0.00 61.79 61.03 2kck h SER 40 Cb 1.08 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 2kck h SER 40 CO 1.13 0.71 0.86 0.11 -0.87 0.00 0.00 176.83 178.77 2kck h LYS 41 N 0.30 0.00 0.04 4.77 1.57 -2.00 1.22 116.57 122.46 2kck h LYS 41 Ca 0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.64 2kck h LYS 41 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kck h LYS 41 CO 0.02 0.00 -1.01 1.88 -0.57 0.00 0.00 179.45 179.76 2kck h TYR 42 N 0.00 0.26 -0.09 -1.35 -1.99 -1.91 -3.25 116.97 108.64 2kck h TYR 42 Ca 0.50 -0.17 -0.20 0.00 2.00 0.00 0.00 58.73 60.86 2kck h TYR 42 Cb 2.20 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.92 2kck h TYR 42 CO 0.00 1.06 -0.77 -1.49 -0.00 0.00 0.00 178.16 176.97 2kck h TRP 43 N 0.06 0.71 -0.94 4.88 4.06 0.14 -3.08 115.95 121.78 2kck h TRP 43 Ca -0.06 -0.32 0.08 0.00 2.06 0.00 0.00 58.89 60.64 2kck h TRP 43 Cb 1.71 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 29.70 2kck h TRP 43 CO 0.03 1.11 0.61 1.25 -3.56 0.00 0.00 178.44 177.88 2kck h LEU 44 N 0.35 0.93 -0.60 -4.49 5.85 -1.11 -1.20 115.31 115.05 2kck h LEU 44 Ca -0.04 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 2kck h LEU 44 Cb 1.36 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2kck h LEU 44 CO 0.14 0.58 -0.15 -0.03 -0.34 0.00 0.00 178.44 178.64 2kck h MET 45 N 1.05 0.96 -0.36 1.25 4.05 -1.58 -2.97 114.93 117.34 2kck h MET 45 Ca 0.42 -0.37 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2kck h MET 45 Cb 0.25 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 2kck h MET 45 CO -0.17 1.03 0.18 -0.22 0.23 0.00 0.00 176.91 177.97 2kck h LYS 46 N 0.85 0.36 -0.36 0.39 1.63 -1.16 -1.23 116.57 117.05 2kck h LYS 46 Ca 0.13 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 2kck h LYS 46 Cb 0.70 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 2kck h LYS 46 CO 0.05 0.24 0.08 0.78 -3.45 0.00 0.00 179.45 177.15 2kck h GLY 47 N 0.37 0.42 1.62 5.01 0.00 -1.31 -0.33 103.07 108.87 2kck h GLY 47 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2kck h GLY 47 CO -0.10 -0.02 0.21 0.50 0.00 0.00 0.00 176.54 177.13 2kck h LYS 48 N 0.20 0.50 0.01 4.80 1.57 -1.31 0.13 116.57 122.47 2kck h LYS 48 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2kck h LYS 48 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kck h LYS 48 CO -0.22 0.37 -0.00 0.00 -0.57 0.00 0.00 179.45 179.02 2kck h ALA 49 N 1.72 -0.01 -0.30 3.86 0.00 0.04 -1.56 119.26 123.01 2kck h ALA 49 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kck h ALA 49 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kck h ALA 49 CO -0.02 -0.32 0.07 -0.07 0.00 0.00 0.00 179.25 178.91 2kck h LEU 50 N -0.38 0.45 -0.14 0.00 3.38 -0.78 -1.52 115.31 116.31 2kck h LEU 50 Ca -0.00 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2kck h LEU 50 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2kck h LEU 50 CO 0.00 0.56 -0.07 0.22 0.09 0.00 0.00 178.44 179.24 2kck h TYR 51 N 0.31 -0.18 0.00 1.13 3.20 -0.78 0.41 116.97 121.06 2kck h TYR 51 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2kck h TYR 51 Cb 0.29 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2kck h TYR 51 CO 0.01 -0.12 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.37 2kck h ASN 52 N -0.07 0.00 0.00 -2.11 -1.24 -1.19 -0.20 115.58 110.77 2kck h ASN 52 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2kck h ASN 52 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 2kck h ASN 52 CO -0.18 0.07 0.00 0.18 -1.29 0.00 0.00 177.43 176.21 2kck n LEU 53 N -3.90 0.31 0.00 0.34 4.32 -0.17 -4.80 117.00 113.09 2kck n LEU 53 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2kck n LEU 53 Cb 0.16 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2kck n LEU 53 CO 0.30 0.08 0.00 -1.84 -1.22 0.00 0.00 177.39 174.71 2kck n GLU 54 N -0.34 -0.26 -2.22 3.23 -0.00 -0.09 -4.91 120.64 116.05 2kck n GLU 54 Ca 0.00 0.06 -0.41 0.00 -0.00 0.00 0.00 57.16 56.82 2kck n GLU 54 Cb 0.08 -3.24 0.00 0.00 -0.00 0.00 0.00 31.44 28.28 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kck n ARG 55 N -2.05 4.64 -0.34 3.44 1.74 -0.05 -4.72 116.66 119.33 2kck n ARG 55 Ca 0.00 -3.77 0.06 0.00 -0.77 0.00 0.00 57.85 53.37 2kck n ARG 55 Cb 0.06 -2.63 0.24 0.00 -1.02 0.00 0.00 32.46 29.11 2kck n ARG 55 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2kck h TYR 56 N 4.72 1.10 0.08 -1.55 -1.99 -1.78 0.51 116.97 118.06 2kck h TYR 56 Ca 0.60 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.36 2kck h TYR 56 Cb 0.37 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2kck h TYR 56 CO 1.47 0.50 -0.04 1.05 -0.00 0.00 0.00 178.16 181.15 2kck h GLU 57 N 1.02 -0.10 -0.63 4.88 4.11 -1.95 -2.43 114.58 119.48 2kck h GLU 57 Ca 0.45 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.85 2kck h GLU 57 Cb 0.36 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2kck h GLU 57 CO -0.21 0.22 0.26 1.49 0.07 0.00 0.00 179.01 180.85 2kck h GLU 58 N -0.44 0.93 -0.90 1.06 4.81 -1.80 -2.52 114.58 115.72 2kck h GLU 58 Ca -0.01 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2kck h GLU 58 Cb 0.38 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 2kck h GLU 58 CO 0.02 0.78 0.53 0.00 -0.73 0.00 0.00 179.01 179.61 2kck h ALA 59 N 1.10 1.32 -0.62 2.92 0.00 0.01 0.12 119.26 124.13 2kck h ALA 59 Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2kck h ALA 59 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2kck h ALA 59 CO -0.02 0.14 0.41 0.28 0.00 0.00 0.00 179.25 180.06 2kck h VAL 60 N 0.86 1.07 -0.88 0.00 2.07 -0.99 -1.42 116.25 116.96 2kck h VAL 60 Ca 0.44 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.76 2kck h VAL 60 Cb 0.44 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 2kck h VAL 60 CO -0.26 0.13 0.58 -0.78 0.02 0.00 0.00 177.57 177.25 2kck h ASP 61 N 0.70 0.95 0.14 0.57 3.58 -0.63 0.21 116.42 121.94 2kck h ASP 61 Ca 0.25 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2kck h ASP 61 Cb 0.12 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kck h ASP 61 CO -0.07 0.65 -0.07 0.00 -2.88 0.00 0.00 179.24 176.88 2kck h TYR 63 N -0.51 0.82 -0.70 0.00 0.05 -1.18 -1.74 116.97 113.71 2kck h TYR 63 Ca -0.02 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2kck h TYR 63 Cb 0.40 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2kck h TYR 63 CO 0.03 0.50 0.28 -0.91 -1.05 0.00 0.00 178.16 177.02 2kck h ASN 64 N 0.88 0.95 -0.53 3.88 -0.26 -0.56 -0.86 115.58 119.07 2kck h ASN 64 Ca 0.25 -0.13 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2kck h ASN 64 Cb -0.07 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 36.91 2kck h ASN 64 CO -0.07 0.84 0.32 0.22 -1.06 0.00 0.00 177.43 177.68 2kck h TYR 65 N 1.01 0.59 -0.44 1.19 3.20 -0.14 1.30 116.97 123.68 2kck h TYR 65 Ca 0.24 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2kck h TYR 65 Cb 0.19 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2kck h TYR 65 CO 0.02 0.33 -0.05 0.28 -1.64 0.00 0.00 178.16 177.10 2kck h VAL 66 N 0.63 1.27 0.00 1.81 2.07 -0.88 0.11 116.25 121.26 2kck h VAL 66 Ca 0.22 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2kck h VAL 66 Cb 0.03 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2kck h VAL 66 CO -0.10 0.38 -0.28 0.40 0.02 0.00 0.00 177.57 177.99 2kck h ILE 67 N 0.65 0.60 0.00 4.57 2.04 -0.69 -2.41 117.51 122.27 2kck h ILE 67 Ca 0.12 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2kck h ILE 67 Cb 0.56 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2kck h ILE 67 CO 0.03 0.28 0.00 -3.20 0.00 0.00 0.00 178.15 175.26 2kck n ASN 68 N -3.33 0.00 -0.28 1.72 5.15 0.44 -4.42 115.26 114.54 2kck n ASN 68 Ca 0.01 0.19 0.07 0.00 -0.60 0.00 0.00 54.58 54.25 2kck n ASN 68 Cb 0.52 -0.25 0.22 0.00 -0.53 0.00 0.00 39.78 39.74 2kck n ASN 68 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 2kck h VAL 69 N 0.00 0.62 -3.18 3.44 3.04 -0.96 -3.38 116.25 115.83 2kck h VAL 69 Ca 0.00 -0.16 -0.63 0.00 -1.01 0.00 0.00 66.70 64.91 2kck h VAL 69 Cb 0.00 0.12 -0.13 0.00 -2.01 0.00 0.00 31.29 29.27 2kck h VAL 69 CO 0.00 0.08 -0.53 -0.63 -1.01 0.00 0.00 177.57 175.48 2kck s ILE 70 N -5.98 5.03 -0.37 3.17 1.01 -0.91 -4.99 121.20 118.17 2kck s ILE 70 Ca -0.12 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.63 2kck s ILE 70 Cb 0.22 -3.25 0.55 0.00 0.01 0.00 0.00 42.46 39.99 2kck s ILE 70 CO 0.77 0.49 1.63 -1.84 0.00 0.00 0.00 174.94 175.99 2kck n GLU 71 N 3.15 2.56 -0.79 2.79 0.28 -1.26 -4.03 120.64 123.33 2kck n GLU 71 Ca -0.17 -2.33 -0.09 0.00 -0.16 0.00 0.00 57.16 54.41 2kck n GLU 71 Cb 0.53 -1.96 -0.04 0.00 1.43 0.00 0.00 31.44 31.40 2kck n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kck n ASP 72 N -0.39 5.64 -3.91 -1.84 8.00 -1.26 -4.83 116.55 117.95 2kck n ASP 72 Ca 0.39 -2.63 -0.29 0.00 0.71 0.00 0.00 54.79 52.96 2kck n ASP 72 Cb 1.28 -1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.47 0.03 -0.85 -1.24 0.28 -1.26 -3.60 120.64 115.47 2kck n GLU 73 Ca 0.21 -1.11 -0.05 0.00 -0.16 0.00 0.00 57.16 56.06 2kck n GLU 73 Cb 0.63 -2.79 -0.04 0.00 1.43 0.00 0.00 31.44 30.66 2kck n GLU 73 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2kck n TYR 74 N 11.97 -0.02 -3.63 -1.84 9.36 -1.26 -5.10 117.16 126.65 2kck n TYR 74 Ca 0.39 -0.34 -0.40 0.00 3.32 0.00 0.00 57.90 60.87 2kck n TYR 74 Cb 0.43 0.43 -0.11 0.00 -0.63 0.00 0.00 39.34 39.46 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 -0.66 5.61 0.23 2.98 0.01 -1.24 -4.95 114.94 116.93 2kck s ASN 75 Ca 0.00 -1.35 -0.05 0.00 -0.71 0.00 0.00 52.86 50.75 2kck s ASN 75 Cb 0.00 -1.97 0.24 0.00 0.41 0.00 0.00 41.25 39.93 2kck s ASN 75 CO -0.00 -0.47 1.77 0.11 -1.51 0.00 0.00 177.10 177.00 2kck h LYS 76 N 8.38 1.02 -0.57 -0.60 1.57 -1.96 -1.38 116.57 123.03 2kck h LYS 76 Ca -0.23 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2kck h LYS 76 Cb 1.09 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2kck h LYS 76 CO 0.71 0.90 0.27 -0.44 -0.57 0.00 0.00 179.45 180.32 2kck h ASP 77 N 0.98 0.75 -0.16 0.86 3.32 -1.96 -0.32 116.42 119.89 2kck h ASP 77 Ca 0.21 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2kck h ASP 77 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2kck h ASP 77 CO -0.00 0.68 -0.01 0.58 -1.72 0.00 0.00 179.24 178.77 2kck h VAL 78 N 0.78 1.26 -0.63 -1.35 2.07 -1.92 -1.87 116.25 114.59 2kck h VAL 78 Ca 0.20 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2kck h VAL 78 Cb 0.13 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2kck h VAL 78 CO -0.02 0.26 0.39 -0.50 0.02 0.00 0.00 177.57 177.72 2kck h TRP 79 N 0.02 0.73 -0.70 1.57 4.06 -1.11 -0.63 115.95 119.89 2kck h TRP 79 Ca 0.04 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 2kck h TRP 79 Cb 0.40 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 2kck h TRP 79 CO 0.04 0.41 0.33 0.00 -3.56 0.00 0.00 178.44 175.66 2kck h ALA 80 N 1.28 1.26 -0.24 1.49 0.00 -0.97 -1.10 119.26 120.97 2kck h ALA 80 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 80 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2kck h ALA 80 CO -0.11 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.72 2kck h ALA 81 N 1.36 0.32 -0.45 0.00 0.00 -0.51 -2.27 119.26 117.71 2kck h ALA 81 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kck h ALA 81 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kck h ALA 81 CO -0.03 0.04 0.25 -0.22 0.00 0.00 0.00 179.25 179.29 2kck h LYS 82 N 0.19 0.63 -0.37 0.00 3.11 -0.85 -2.68 116.57 116.61 2kck h LYS 82 Ca 0.07 -0.07 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 2kck h LYS 82 Cb 0.39 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 2kck h LYS 82 CO 0.01 0.49 0.11 0.00 -2.81 0.00 0.00 179.45 177.25 2kck h ALA 83 N 1.10 0.42 -0.90 5.00 0.00 -1.14 -1.25 119.26 122.49 2kck h ALA 83 Ca 0.16 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.28 2kck h ALA 83 Cb 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2kck h ALA 83 CO -0.03 -0.29 0.50 -0.44 0.00 0.00 0.00 179.25 178.99 2kck h ASP 84 N 0.25 0.64 -0.59 0.00 3.32 -1.12 0.29 116.42 119.21 2kck h ASP 84 Ca 0.17 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2kck h ASP 84 Cb 0.17 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2kck h ASP 84 CO -0.20 0.28 0.18 0.00 -1.72 0.00 0.00 179.24 177.78 2kck h ALA 85 N 1.57 1.14 0.00 3.45 0.00 -0.94 -2.30 119.26 122.19 2kck h ALA 85 Ca 0.49 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2kck h ALA 85 Cb 0.67 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kck h ALA 85 CO -0.35 0.59 -0.60 -0.07 0.00 0.00 0.00 179.25 178.82 2kck h LEU 86 N 0.92 0.00 -1.42 0.00 3.38 -0.05 -2.85 115.31 115.29 2kck h LEU 86 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kck h LEU 86 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kck h LEU 86 CO -0.01 0.60 0.00 -0.09 0.09 0.00 0.00 178.44 179.03 2kck h ARG 87 N 0.00 0.00 -1.56 1.13 2.43 0.02 -3.07 114.38 113.33 2kck h ARG 87 Ca -0.01 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.66 2kck h ARG 87 Cb 1.11 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.25 2kck h ARG 87 CO 0.08 0.00 -0.93 0.66 -1.51 0.00 0.00 179.97 178.27 2kck n TYR 88 N -2.64 2.35 -4.75 2.20 4.01 -1.08 -4.93 117.16 112.33 2kck n TYR 88 Ca 0.00 -3.27 -0.26 0.00 -0.16 0.00 0.00 57.90 54.21 2kck n TYR 88 Cb 0.19 -0.29 -0.16 0.00 -0.31 0.00 0.00 39.34 38.77 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 -4.15 1.34 0.00 -0.72 2.07 -1.16 -4.95 121.20 113.64 2kck s ILE 89 Ca 0.40 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 2kck s ILE 89 Cb 0.39 -1.18 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2kck s ILE 89 CO -0.09 0.40 0.00 1.21 -1.91 0.00 0.00 174.94 174.54 2kck n GLU 90 N 3.46 0.00 0.00 3.50 2.13 -1.26 -4.09 120.64 124.38 2kck n GLU 90 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 2kck n GLU 90 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2kck n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kck n GLY 91 N 0.00 0.03 2.74 8.31 0.00 -1.26 -5.09 105.19 109.92 2kck n GLY 91 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2kck n GLY 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kck n LYS 92 N -0.00 0.61 -2.25 1.61 3.00 -1.26 -4.82 118.16 115.05 2kck n LYS 92 Ca 0.00 -1.65 -0.28 0.00 -0.00 0.00 0.00 58.31 56.38 2kck n LYS 92 Cb 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 35.03 33.80 2kck n LYS 92 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2kck s GLU 93 N 0.70 3.07 0.02 1.64 8.01 -1.26 -4.92 118.70 125.96 2kck s GLU 93 Ca 0.30 0.22 0.01 0.00 0.01 0.00 0.00 54.97 55.51 2kck s GLU 93 Cb 0.16 -2.21 0.08 0.00 -4.31 0.00 0.00 34.13 27.85 2kck s GLU 93 CO -0.17 -0.69 1.03 1.55 0.01 0.00 0.00 175.26 176.99 2kck n VAL 94 N -2.65 1.89 0.03 2.63 3.14 -1.26 -2.18 118.33 119.92 2kck n VAL 94 Ca 0.05 0.52 -0.12 0.00 -2.96 0.00 0.00 64.34 61.82 2kck n VAL 94 Cb 0.57 -1.52 -0.07 0.00 -1.06 0.00 0.00 33.84 31.76 2kck n VAL 94 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2kck h GLU 95 N 0.00 0.03 -0.85 1.45 4.39 -1.95 -1.69 114.58 115.96 2kck h GLU 95 Ca 0.00 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.86 2kck h GLU 95 Cb 0.02 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 2kck h GLU 95 CO 0.00 0.07 0.56 0.00 -1.16 0.00 0.00 179.01 178.48 2kck h ALA 96 N 0.96 2.05 -0.18 3.43 0.00 -1.65 -0.71 119.26 123.15 2kck h ALA 96 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kck h ALA 96 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kck h ALA 96 CO -0.00 -0.29 -0.22 0.93 0.00 0.00 0.00 179.25 179.66 2kck h GLU 97 N 0.50 0.48 -0.55 0.00 5.08 -1.57 -1.18 114.58 117.34 2kck h GLU 97 Ca 0.43 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2kck h GLU 97 Cb 0.91 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2kck h GLU 97 CO -0.17 0.85 0.33 0.82 -1.00 0.00 0.00 179.01 179.84 2kck h ILE 98 N 0.13 1.05 -0.29 3.13 2.04 -0.28 -1.20 117.51 122.10 2kck h ILE 98 Ca 0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2kck h ILE 98 Cb 0.78 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2kck h ILE 98 CO 0.05 0.12 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 2kck h ALA 99 N 1.25 0.39 -0.60 1.87 0.00 -1.23 -1.89 119.26 119.05 2kck h ALA 99 Ca 0.22 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 99 Cb 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2kck h ALA 99 CO -0.10 0.16 0.22 1.49 0.00 0.00 0.00 179.25 181.02 2kck h GLU 100 N 0.30 0.39 -0.64 0.00 4.81 -0.82 0.16 114.58 118.76 2kck h GLU 100 Ca 0.08 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2kck h GLU 100 Cb 0.48 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2kck h GLU 100 CO 0.02 0.26 0.12 0.00 -0.73 0.00 0.00 179.01 178.68 2kck h ALA 101 N 1.41 0.85 -0.56 2.92 0.00 -1.12 0.76 119.26 123.52 2kck h ALA 101 Ca 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kck h ALA 101 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2kck h ALA 101 CO -0.30 0.60 0.24 0.00 0.00 0.00 0.00 179.25 179.79 2kck h ARG 102 N 0.97 0.82 0.00 0.00 3.08 -0.38 1.01 114.38 119.88 2kck h ARG 102 Ca 0.20 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2kck h ARG 102 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2kck h ARG 102 CO 0.01 0.70 -0.58 0.00 -1.07 0.00 0.00 179.97 179.03 2kck h ALA 103 N 1.09 0.85 -0.02 0.04 0.00 -0.58 -2.95 119.26 117.68 2kck h ALA 103 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kck h ALA 103 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kck h ALA 103 CO -0.02 0.73 -0.08 1.17 0.00 0.00 0.00 179.25 181.05 2kck n LYS 104 N -3.57 1.86 -1.54 0.00 4.81 0.24 -4.85 118.16 115.11 2kck n LYS 104 Ca -0.00 -1.38 -0.42 0.00 -0.87 0.00 0.00 58.31 55.63 2kck n LYS 104 Cb 0.64 -1.47 -0.05 0.00 0.02 0.00 0.00 35.03 34.17 2kck n LYS 104 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kck n LEU 105 N 0.64 2.44 -4.88 3.14 0.00 0.35 -4.92 117.00 113.76 2kck n LEU 105 Ca 0.15 -0.01 -0.36 0.00 0.00 0.00 0.00 56.01 55.79 2kck n LEU 105 Cb 0.48 -1.45 -0.06 0.00 0.00 0.00 0.00 43.42 42.40 2kck n LEU 105 CO 0.18 -1.02 -0.08 -0.70 0.00 0.00 0.00 177.39 175.76 2kck s GLU 106 N 7.23 3.57 0.69 1.96 2.12 -1.26 -5.04 118.70 127.97 2kck s GLU 106 Ca 1.05 -0.05 -0.08 0.00 0.36 0.00 0.00 54.97 56.25 2kck s GLU 106 Cb -0.47 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 30.83 2kck s GLU 106 CO 0.36 0.70 1.02 -1.01 -0.54 0.00 0.00 175.26 175.79 2kck s HIS 107 N -1.18 3.03 0.44 5.30 3.76 -1.26 -5.03 115.29 120.36 2kck s HIS 107 Ca 0.23 0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 55.48 2kck s HIS 107 Cb -0.13 -3.13 -0.08 0.00 1.11 0.00 0.00 32.58 30.36 2kck s HIS 107 CO 0.12 -1.31 1.28 -1.01 -0.85 0.00 0.00 174.74 172.97 2kck s HIS 108 N -3.25 2.73 -0.06 1.40 0.09 -1.26 -5.03 115.29 109.92 2kck s HIS 108 Ca 0.59 1.43 0.04 0.00 -0.00 0.00 0.00 55.06 57.12 2kck s HIS 108 Cb -0.11 -3.63 -0.00 0.00 -0.00 0.00 0.00 32.58 28.84 2kck s HIS 108 CO 0.46 -2.10 -0.19 -1.58 -0.00 0.00 0.00 174.74 171.32 2kck s HIS 109 N -1.34 1.98 -0.06 1.40 5.04 -1.26 -5.13 115.29 115.93 2kck s HIS 109 Ca 0.61 -0.65 -0.14 0.00 -1.54 0.00 0.00 55.06 53.34 2kck s HIS 109 Cb -0.36 -1.34 0.03 0.00 0.04 0.00 0.00 32.58 30.95 2kck s HIS 109 CO 0.45 -0.24 0.33 -3.38 -2.34 0.00 0.00 174.74 169.56 2kck s HIS 110 N 0.15 -0.26 0.42 3.88 -3.43 -1.26 -5.16 115.29 109.63 2kck s HIS 110 Ca -0.08 0.52 -0.09 0.00 -0.80 0.00 0.00 55.06 54.61 2kck s HIS 110 Cb -0.14 0.11 -0.05 0.00 -1.43 0.00 0.00 32.58 31.07 2kck s HIS 110 CO 0.04 -0.32 0.76 -3.38 -2.00 0.00 0.00 174.74 169.84 2kck s HIS 111 N -0.78 3.50 0.00 0.38 -3.43 -1.26 -5.33 115.29 108.36 2kck s HIS 111 Ca -0.09 0.95 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2kck s HIS 111 Cb -0.04 -2.38 0.00 0.00 -1.43 0.00 0.00 32.58 28.73 2kck s HIS 111 CO 0.03 -0.14 0.00 1.58 -2.00 0.00 0.00 174.74 174.21