#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kck s VAL 2 N 0.00 3.54 -0.56 1.12 0.11 -1.26 -4.97 120.40 118.38 2kck s VAL 2 Ca 0.00 1.54 -0.28 0.00 -2.93 0.00 0.00 61.98 60.31 2kck s VAL 2 Cb 0.00 -3.97 0.02 0.00 -1.53 0.00 0.00 36.38 30.90 2kck s VAL 2 CO 0.00 0.35 1.30 -1.81 -3.33 0.00 0.00 175.10 171.61 2kck s ASP 3 N -0.94 6.31 0.29 3.54 1.01 -1.26 -4.86 116.67 120.77 2kck s ASP 3 Ca 0.45 0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.99 2kck s ASP 3 Cb -0.31 -2.55 0.45 0.00 1.01 0.00 0.00 42.92 41.53 2kck s ASP 3 CO 0.40 -1.57 1.70 -0.61 0.21 0.00 0.00 175.17 175.29 2kck h GLN 4 N 10.22 0.24 -2.64 8.23 5.75 -1.96 -3.38 115.11 131.57 2kck h GLN 4 Ca -0.26 -0.11 -0.60 0.00 -0.15 0.00 0.00 58.65 57.53 2kck h GLN 4 Cb 1.07 -0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.23 2kck h GLN 4 CO 1.18 0.62 -0.84 -0.80 -2.65 0.00 0.00 178.83 176.33 2kck s ASN 5 N -6.88 2.70 0.00 -0.69 0.02 -1.26 -5.00 114.94 103.83 2kck s ASN 5 Ca -0.04 -2.91 -0.01 0.00 -1.02 0.00 0.00 52.86 48.88 2kck s ASN 5 Cb 0.13 -0.73 -0.02 0.00 0.02 0.00 0.00 41.25 40.65 2kck s ASN 5 CO 0.77 -0.21 0.78 -2.65 0.02 0.00 0.00 177.10 175.82 2kck n PRO 6 N 3.10 0.34 0.30 -0.60 -0.02 -1.26 -4.24 135.00 132.62 2kck n PRO 6 Ca 0.20 -0.09 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 2kck n PRO 6 Cb 0.41 -1.46 0.90 0.00 -0.02 0.00 0.00 33.50 33.33 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 3.92 0.00 -0.12 -0.52 4.81 -1.97 -2.10 114.58 118.61 2kck h GLU 7 Ca 0.02 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 2kck h GLU 7 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2kck h GLU 7 CO 0.15 0.02 -0.59 0.93 -0.73 0.00 0.00 179.01 178.79 2kck h GLU 8 N 0.00 0.39 0.00 1.92 5.08 -2.05 -2.86 114.58 117.06 2kck h GLU 8 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2kck h GLU 8 Cb 0.28 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kck h GLU 8 CO 0.00 0.87 0.09 0.66 -1.00 0.00 0.00 179.01 179.63 2kck n TYR 9 N -3.91 0.66 0.23 4.33 4.02 -0.79 -1.82 117.16 119.89 2kck n TYR 9 Ca -0.03 0.35 0.11 0.00 -0.01 0.00 0.00 57.90 58.32 2kck n TYR 9 Cb 0.62 -1.00 0.60 0.00 -0.02 0.00 0.00 39.34 39.54 2kck n TYR 9 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 2kck h TYR 10 N 0.00 0.00 -0.56 -0.72 -0.00 -1.64 -2.69 116.97 111.36 2kck h TYR 10 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.73 58.89 2kck h TYR 10 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.89 2kck h TYR 10 CO 0.00 0.00 1.12 1.47 -0.00 0.00 0.00 178.16 180.75 2kck n LEU 11 N -2.41 0.00 -0.06 0.10 -0.00 -0.75 0.47 117.00 114.35 2kck n LEU 11 Ca -0.01 0.64 -0.07 0.00 -0.00 0.00 0.00 56.01 56.56 2kck n LEU 11 Cb 0.26 -0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 43.53 2kck n LEU 11 CO 0.10 -0.64 0.78 -0.08 -0.00 0.00 0.00 177.39 177.55 2kck h GLU 12 N 0.00 -0.07 -0.78 1.47 4.57 -1.78 -1.62 114.58 116.37 2kck h GLU 12 Ca 0.26 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.75 2kck h GLU 12 Cb 2.51 0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 30.97 2kck h GLU 12 CO -0.00 -0.05 0.31 0.41 -1.18 0.00 0.00 179.01 178.50 2kck n GLY 13 N -1.28 -0.70 0.18 1.92 0.00 0.18 0.72 105.19 106.21 2kck n GLY 13 Ca -0.01 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 0.62 -0.12 1.61 2.07 -1.48 -2.92 116.25 116.03 2kck h VAL 14 Ca 0.61 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2kck h VAL 14 Cb 1.55 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2kck h VAL 14 CO -0.63 0.14 -0.10 -0.07 0.02 0.00 0.00 177.57 176.93 2kck h LEU 15 N -0.90 -0.35 -0.71 2.57 3.38 0.45 0.29 115.31 120.04 2kck h LEU 15 Ca -0.04 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2kck h LEU 15 Cb 0.51 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 2kck h LEU 15 CO 0.06 -0.05 -0.34 -0.61 0.09 0.00 0.00 178.44 177.58 2kck h GLN 16 N -0.03 -0.11 0.06 1.13 4.15 -1.22 2.15 115.11 121.25 2kck h GLN 16 Ca 0.02 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2kck h GLN 16 Cb 0.09 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2kck h GLN 16 CO -0.13 -0.07 -0.30 -0.92 -1.93 0.00 0.00 178.83 175.48 2kck h TYR 17 N -0.11 -0.87 0.00 3.99 3.20 -0.93 -3.33 116.97 118.92 2kck h TYR 17 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2kck h TYR 17 Cb 0.57 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2kck h TYR 17 CO -0.70 -0.33 0.00 -0.25 -1.64 0.00 0.00 178.16 175.23 2kck n ASP 18 N -4.14 0.00 -4.56 -2.11 8.00 0.88 -4.67 116.55 109.94 2kck n ASP 18 Ca -0.05 0.37 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 2kck n ASP 18 Cb 0.23 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kck s ALA 19 N -3.29 2.60 -0.69 2.24 0.00 0.72 -4.88 121.76 118.47 2kck s ALA 19 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2kck s ALA 19 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 23.12 18.87 2kck s ALA 19 CO 0.00 -3.28 2.00 0.41 0.00 0.00 0.00 175.76 174.89 2kck n GLY 20 N 5.43 2.81 2.81 0.00 0.00 -1.25 -2.85 105.19 112.14 2kck n GLY 20 Ca 0.14 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 4.05 5.43 -0.33 1.61 4.13 -1.26 -4.85 115.26 124.03 2kck n ASN 21 Ca 0.37 -3.67 0.21 0.00 1.68 0.00 0.00 54.58 53.17 2kck n ASN 21 Cb 0.17 -0.78 0.43 0.00 -1.54 0.00 0.00 39.78 38.06 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 3.52 0.90 -0.26 3.10 0.05 -1.93 0.35 116.97 122.69 2kck h TYR 22 Ca 0.27 0.04 0.04 0.00 0.05 0.00 0.00 58.73 59.12 2kck h TYR 22 Cb 0.46 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2kck h TYR 22 CO 1.00 -0.11 0.03 1.15 -1.05 0.00 0.00 178.16 179.18 2kck h THR 23 N 0.39 0.85 -0.96 -2.88 2.02 -1.98 -1.68 112.91 108.66 2kck h THR 23 Ca 0.69 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.95 2kck h THR 23 Cb 1.49 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.53 2kck h THR 23 CO -0.57 0.02 0.59 -0.08 0.37 0.00 0.00 175.52 175.85 2kck h GLU 24 N 0.12 0.88 -1.01 6.66 4.81 -0.73 -0.17 114.58 125.15 2kck h GLU 24 Ca 0.12 -0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.57 2kck h GLU 24 Cb 0.14 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.25 2kck h GLU 24 CO -0.18 0.58 0.68 0.66 -0.73 0.00 0.00 179.01 180.03 2kck h SER 25 N 0.91 0.25 -0.93 1.04 4.64 -0.92 0.34 113.55 118.88 2kck h SER 25 Ca 0.49 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.89 2kck h SER 25 Cb 0.52 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 2kck h SER 25 CO -0.28 0.07 0.60 0.40 -0.87 0.00 0.00 176.83 176.75 2kck h ILE 26 N 0.23 1.12 -0.08 0.95 5.03 -1.01 0.21 117.51 123.96 2kck h ILE 26 Ca 0.52 -0.39 -0.00 0.00 -0.12 0.00 0.00 64.86 64.87 2kck h ILE 26 Cb 1.63 -0.12 -0.00 0.00 -3.03 0.00 0.00 36.82 35.29 2kck h ILE 26 CO -0.15 0.21 0.05 0.44 -0.68 0.00 0.00 178.15 178.02 2kck h ASP 27 N 1.14 0.10 -0.28 1.72 3.32 -0.42 0.25 116.42 122.25 2kck h ASP 27 Ca 0.38 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2kck h ASP 27 Cb 0.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2kck h ASP 27 CO -0.14 0.12 0.07 -0.07 -1.72 0.00 0.00 179.24 177.50 2kck h LEU 28 N 0.07 0.42 -0.47 1.55 -0.00 -1.32 -2.80 115.31 112.75 2kck h LEU 28 Ca 0.03 -0.23 0.02 0.00 -0.00 0.00 0.00 57.88 57.70 2kck h LEU 28 Cb 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2kck h LEU 28 CO -0.01 0.54 0.28 -0.26 -0.00 0.00 0.00 178.44 179.00 2kck h PHE 29 N 0.28 0.53 -1.00 1.13 0.04 -0.42 -1.77 116.94 115.72 2kck h PHE 29 Ca 0.09 0.02 0.18 0.00 2.80 0.00 0.00 57.97 61.05 2kck h PHE 29 Cb 0.28 -0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.16 2kck h PHE 29 CO 0.01 0.30 0.62 1.49 -0.60 0.00 0.00 178.31 180.13 2kck h GLU 30 N 0.56 0.77 -0.32 1.51 4.81 -0.34 1.09 114.58 122.66 2kck h GLU 30 Ca 0.19 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2kck h GLU 30 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2kck h GLU 30 CO -0.08 0.51 -0.11 0.87 -0.73 0.00 0.00 179.01 179.46 2kck h LYS 31 N 0.79 0.64 0.19 1.92 1.57 -1.09 -0.48 116.57 120.10 2kck h LYS 31 Ca 0.56 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2kck h LYS 31 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2kck h LYS 31 CO -0.36 0.83 -0.09 0.00 -0.57 0.00 0.00 179.45 179.26 2kck h ALA 32 N 0.78 -0.26 -0.81 3.86 0.00 -0.29 -0.10 119.26 122.45 2kck h ALA 32 Ca 0.08 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2kck h ALA 32 Cb 0.62 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2kck h ALA 32 CO 0.04 -0.35 0.53 0.82 0.00 0.00 0.00 179.25 180.29 2kck h ILE 33 N -0.85 0.84 0.01 0.00 2.04 0.11 0.62 117.51 120.27 2kck h ILE 33 Ca -0.03 -0.20 -0.20 0.00 1.00 0.00 0.00 64.86 65.43 2kck h ILE 33 Cb 0.52 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2kck h ILE 33 CO 0.04 0.11 -0.90 -0.61 0.00 0.00 0.00 178.15 176.79 2kck h GLN 34 N 0.58 0.24 -0.46 2.37 4.15 -1.07 -2.55 115.11 118.36 2kck h GLN 34 Ca 0.40 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 2kck h GLN 34 Cb 0.71 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2kck h GLN 34 CO -0.15 0.99 0.08 -0.07 -1.93 0.00 0.00 178.83 177.74 2kck h LEU 35 N 0.13 0.73 -5.66 -2.39 3.38 0.10 -3.43 115.31 108.18 2kck h LEU 35 Ca -0.05 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.76 2kck h LEU 35 Cb 1.53 -0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 2kck h LEU 35 CO 0.14 0.80 -0.18 -0.62 0.09 0.00 0.00 178.44 178.67 2kck s ASP 36 N -6.16 -0.73 -0.59 -0.43 2.15 -0.30 -5.00 116.67 105.60 2kck s ASP 36 Ca -0.13 -0.20 -0.23 0.00 0.43 0.00 0.00 52.55 52.42 2kck s ASP 36 Cb 0.11 1.12 0.05 0.00 -0.30 0.00 0.00 42.92 43.90 2kck s ASP 36 CO 0.79 -0.10 0.93 -2.16 -0.17 0.00 0.00 175.17 174.46 2kck s PRO 37 N 2.28 3.22 -0.31 4.34 0.04 -0.96 -4.72 135.00 138.90 2kck s PRO 37 Ca 0.18 -0.54 0.08 0.00 0.04 0.00 0.00 61.00 60.75 2kck s PRO 37 Cb -0.01 -4.13 0.29 0.00 0.04 0.00 0.00 34.50 30.69 2kck s PRO 37 CO -0.16 -1.60 1.26 -1.91 0.04 0.00 0.00 177.00 174.62 2kck n GLU 38 N 7.47 0.93 -3.20 4.56 2.13 -1.26 -5.09 120.64 126.17 2kck n GLU 38 Ca -0.01 -1.16 -0.00 0.00 0.66 0.00 0.00 57.16 56.65 2kck n GLU 38 Cb 0.46 0.14 -0.02 0.00 0.27 0.00 0.00 31.44 32.30 2kck n GLU 38 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kck s GLU 39 N 0.12 0.53 0.60 5.31 2.56 -1.26 -5.00 118.70 121.55 2kck s GLU 39 Ca 0.11 0.39 0.28 0.00 0.00 0.00 0.00 54.97 55.75 2kck s GLU 39 Cb 0.31 0.08 1.29 0.00 2.00 0.00 0.00 34.13 37.81 2kck s GLU 39 CO -0.08 -1.05 1.70 1.03 -0.56 0.00 0.00 175.26 176.30 2kck h SER 40 N 8.01 0.00 -0.87 -1.70 0.87 -1.98 0.43 113.55 118.31 2kck h SER 40 Ca -0.03 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.70 2kck h SER 40 Cb 1.17 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.02 2kck h SER 40 CO 0.18 0.00 0.44 0.50 -0.53 0.00 0.00 176.83 177.42 2kck h LYS 41 N 0.00 0.55 0.18 2.24 1.63 -1.98 2.10 116.57 121.29 2kck h LYS 41 Ca 0.27 -0.03 -0.31 0.00 -0.85 0.00 0.00 60.65 59.72 2kck h LYS 41 Cb 1.67 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 33.19 2kck h LYS 41 CO -0.00 0.36 -1.46 0.10 -3.45 0.00 0.00 179.45 175.00 2kck h TYR 42 N 0.56 0.69 -0.14 1.91 -0.00 -1.35 -3.19 116.97 115.46 2kck h TYR 42 Ca 0.50 -0.50 -0.12 0.00 0.00 0.00 0.00 58.73 58.61 2kck h TYR 42 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.48 2kck h TYR 42 CO -0.10 1.46 -0.46 -1.49 -0.00 0.00 0.00 178.16 177.57 2kck h TRP 43 N 0.10 0.40 -0.55 0.10 -0.00 -1.13 -2.83 115.95 112.05 2kck h TRP 43 Ca -0.23 -0.12 -0.08 0.00 -0.00 0.00 0.00 58.89 58.46 2kck h TRP 43 Cb 2.07 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 31.12 2kck h TRP 43 CO 0.09 0.73 0.04 1.25 -0.00 0.00 0.00 178.44 180.55 2kck h LEU 44 N 0.27 0.87 -0.59 -4.49 5.85 0.33 -2.84 115.31 114.71 2kck h LEU 44 Ca 0.02 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2kck h LEU 44 Cb 0.91 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2kck h LEU 44 CO 0.08 0.91 0.32 0.24 -0.34 0.00 0.00 178.44 179.65 2kck h MET 45 N 0.85 0.82 -0.52 1.25 2.86 -1.49 -2.67 114.93 116.03 2kck h MET 45 Ca 0.17 -0.10 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 2kck h MET 45 Cb 0.45 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 2kck h MET 45 CO 0.02 0.63 -0.05 0.87 1.06 0.00 0.00 176.91 179.44 2kck h LYS 46 N 0.80 0.07 -0.49 1.72 1.79 -1.40 -0.99 116.57 118.06 2kck h LYS 46 Ca 0.21 -0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.77 2kck h LYS 46 Cb 0.04 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.59 2kck h LYS 46 CO -0.03 0.05 -0.01 0.78 -1.08 0.00 0.00 179.45 179.15 2kck h GLY 47 N 0.07 0.49 0.83 3.86 0.00 -1.44 0.42 103.07 107.30 2kck h GLY 47 Ca 0.26 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.72 2kck h GLY 47 CO -0.47 -0.14 0.62 0.50 0.00 0.00 0.00 176.54 177.05 2kck h LYS 48 N 0.10 1.10 0.09 4.80 1.57 -1.12 0.13 116.57 123.25 2kck h LYS 48 Ca 0.25 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2kck h LYS 48 Cb 0.37 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2kck h LYS 48 CO -0.42 0.73 -0.04 0.00 -0.57 0.00 0.00 179.45 179.14 2kck h ALA 49 N 1.47 -0.12 -0.65 3.86 0.00 -0.12 -0.34 119.26 123.35 2kck h ALA 49 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2kck h ALA 49 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kck h ALA 49 CO -0.15 -0.50 0.38 -0.07 0.00 0.00 0.00 179.25 178.92 2kck h LEU 50 N -0.26 0.79 0.01 0.00 4.07 -0.67 -0.92 115.31 118.33 2kck h LEU 50 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2kck h LEU 50 Cb 0.22 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2kck h LEU 50 CO 0.02 0.63 -0.01 0.22 -1.08 0.00 0.00 178.44 178.23 2kck h TYR 51 N 0.89 -0.01 0.00 1.13 3.20 -0.61 0.87 116.97 122.43 2kck h TYR 51 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2kck h TYR 51 Cb -0.01 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2kck h TYR 51 CO -0.01 -0.00 -0.03 -0.97 -1.64 0.00 0.00 178.16 175.51 2kck h ASN 52 N -0.02 0.00 0.00 -2.11 -1.24 -0.82 0.85 115.58 112.24 2kck h ASN 52 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kck h ASN 52 Cb 0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 2kck h ASN 52 CO 0.00 0.03 0.00 0.18 -1.29 0.00 0.00 177.43 176.35 2kck n LEU 53 N -4.50 0.00 -0.01 0.34 4.77 -0.37 -4.82 117.00 112.41 2kck n LEU 53 Ca -0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2kck n LEU 53 Cb 0.11 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2kck n LEU 53 CO 0.34 0.00 -0.00 1.21 -1.33 0.00 0.00 177.39 177.61 2kck n GLU 54 N -0.81 -0.01 -3.11 3.23 2.13 0.29 -4.99 120.64 117.37 2kck n GLU 54 Ca 0.12 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.81 2kck n GLU 54 Cb 0.06 -3.71 -0.03 0.00 0.27 0.00 0.00 31.44 28.03 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2kck n ARG 55 N -1.80 3.61 -0.36 5.31 1.74 0.23 -4.85 116.66 120.53 2kck n ARG 55 Ca -0.00 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.41 2kck n ARG 55 Cb 0.30 -2.36 0.14 0.00 -1.02 0.00 0.00 32.46 29.53 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 4.33 1.18 0.06 -1.55 -1.99 -1.81 0.80 116.97 117.99 2kck h TYR 56 Ca 0.23 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 2kck h TYR 56 Cb 0.57 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2kck h TYR 56 CO 0.91 0.66 -0.03 1.49 -0.00 0.00 0.00 178.16 181.19 2kck h GLU 57 N 1.20 -0.08 -0.58 4.88 4.57 -1.92 -2.52 114.58 120.12 2kck h GLU 57 Ca 0.39 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2kck h GLU 57 Cb 0.04 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2kck h GLU 57 CO -0.14 0.20 0.02 1.49 -1.18 0.00 0.00 179.01 179.40 2kck h GLU 58 N -0.36 1.01 -0.90 1.92 4.57 -1.85 -2.75 114.58 116.22 2kck h GLU 58 Ca -0.01 -0.31 0.15 0.00 -1.18 0.00 0.00 59.36 58.01 2kck h GLU 58 Cb 0.32 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 2kck h GLU 58 CO 0.01 0.99 0.58 0.00 -1.18 0.00 0.00 179.01 179.41 2kck h ALA 59 N 0.98 1.83 -0.10 2.92 0.00 0.66 0.36 119.26 125.92 2kck h ALA 59 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2kck h ALA 59 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kck h ALA 59 CO 0.03 -0.08 -0.04 0.28 0.00 0.00 0.00 179.25 179.44 2kck h VAL 60 N 0.69 1.09 -0.71 0.00 2.07 -1.14 -2.13 116.25 116.12 2kck h VAL 60 Ca 0.45 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2kck h VAL 60 Cb 0.73 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2kck h VAL 60 CO -0.21 0.12 0.47 0.44 0.02 0.00 0.00 177.57 178.42 2kck h ASP 61 N 0.14 0.81 0.12 0.57 3.32 -0.27 0.41 116.42 121.51 2kck h ASP 61 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2kck h ASP 61 Cb 0.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2kck h ASP 61 CO 0.01 0.58 -0.06 0.00 -1.72 0.00 0.00 179.24 178.05 2kck h TYR 63 N -0.48 0.78 -0.89 0.00 0.05 -1.41 -2.26 116.97 112.77 2kck h TYR 63 Ca -0.02 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.72 2kck h TYR 63 Cb 0.38 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 2kck h TYR 63 CO 0.03 0.64 0.59 -0.97 -1.05 0.00 0.00 178.16 177.40 2kck h ASN 64 N 0.69 1.02 -0.86 3.88 -1.24 -0.17 0.30 115.58 119.20 2kck h ASN 64 Ca 0.17 -0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.18 2kck h ASN 64 Cb 0.18 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 38.93 2kck h ASN 64 CO -0.02 0.73 0.56 0.22 -1.29 0.00 0.00 177.43 177.63 2kck h TYR 65 N 1.20 1.05 -0.20 0.67 5.03 -0.68 0.64 116.97 124.68 2kck h TYR 65 Ca 0.33 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.60 2kck h TYR 65 Cb -0.13 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 37.80 2kck h TYR 65 CO -0.01 0.63 -0.12 0.28 -1.32 0.00 0.00 178.16 177.61 2kck h VAL 66 N 1.11 1.32 -0.64 1.81 2.07 -0.75 0.33 116.25 121.50 2kck h VAL 66 Ca 0.33 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 2kck h VAL 66 Cb -0.05 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2kck h VAL 66 CO -0.10 0.37 0.04 0.40 0.02 0.00 0.00 177.57 178.30 2kck h ILE 67 N 0.11 1.26 0.14 4.57 2.04 -0.61 0.22 117.51 125.25 2kck h ILE 67 Ca 0.04 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2kck h ILE 67 Cb 0.63 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2kck h ILE 67 CO 0.03 0.41 -0.07 -1.13 0.00 0.00 0.00 178.15 177.40 2kck h ASN 68 N 1.00 -0.16 -0.53 1.72 -1.24 0.31 -3.35 115.58 113.35 2kck h ASN 68 Ca 0.19 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.27 2kck h ASN 68 Cb 0.51 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.55 2kck h ASN 68 CO 0.02 0.07 0.20 0.58 -1.29 0.00 0.00 177.43 177.01 2kck h VAL 69 N -0.54 0.84 -3.32 2.57 2.07 -0.43 -3.39 116.25 114.04 2kck h VAL 69 Ca -0.02 -0.14 -0.65 0.00 0.82 0.00 0.00 66.70 66.71 2kck h VAL 69 Cb 0.14 0.41 -0.26 0.00 -1.52 0.00 0.00 31.29 30.06 2kck h VAL 69 CO 0.03 0.07 -0.74 -0.63 0.02 0.00 0.00 177.57 176.32 2kck s ILE 70 N -6.12 3.24 -1.16 4.57 1.01 0.77 -4.98 121.20 118.53 2kck s ILE 70 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2kck s ILE 70 Cb 0.15 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2kck s ILE 70 CO 0.73 0.50 0.51 -0.62 0.00 0.00 0.00 174.94 176.06 2kck n GLU 71 N 3.79 0.88 -0.51 2.79 1.02 -1.25 -3.64 120.64 123.71 2kck n GLU 71 Ca -0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.95 2kck n GLU 71 Cb 0.52 -1.37 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 2kck n GLU 71 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kck n ASP 72 N -0.03 4.93 0.28 1.62 8.00 -1.26 -4.37 116.55 125.72 2kck n ASP 72 Ca 0.00 -2.31 0.17 0.00 0.71 0.00 0.00 54.79 53.36 2kck n ASP 72 Cb 0.18 -1.07 0.93 0.00 -0.02 0.00 0.00 41.12 41.14 2kck n ASP 72 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2kck h GLU 73 N 1.42 0.00 -0.53 -1.24 4.11 -1.87 -0.93 114.58 115.54 2kck h GLU 73 Ca 0.02 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.60 2kck h GLU 73 Cb 0.97 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2kck h GLU 73 CO 0.02 0.00 0.40 1.88 0.07 0.00 0.00 179.01 181.38 2kck h TYR 74 N 0.00 0.00 -0.60 2.06 0.05 -1.97 -3.42 116.97 113.09 2kck h TYR 74 Ca 0.03 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.18 2kck h TYR 74 Cb 0.19 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 2kck h TYR 74 CO 0.00 0.00 1.50 0.09 -1.05 0.00 0.00 178.16 178.70 2kck n ASN 75 N -4.31 1.35 0.04 3.88 3.02 -0.36 -4.78 115.26 114.11 2kck n ASN 75 Ca 0.10 0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2kck n ASN 75 Cb 0.62 -1.12 0.29 0.00 -0.61 0.00 0.00 39.78 38.96 2kck n ASN 75 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kck h LYS 76 N 12.25 0.41 -0.60 3.52 2.10 -1.90 -2.69 116.57 129.65 2kck h LYS 76 Ca -0.17 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2kck h LYS 76 Cb 1.34 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.59 2kck h LYS 76 CO 1.14 0.55 0.37 0.22 -2.00 0.00 0.00 179.45 179.73 2kck h ASP 77 N 0.38 0.72 -0.35 7.07 1.82 -1.95 0.25 116.42 124.36 2kck h ASP 77 Ca 0.07 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2kck h ASP 77 Cb 0.48 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2kck h ASP 77 CO 0.03 0.56 0.06 0.58 -1.61 0.00 0.00 179.24 178.86 2kck h VAL 78 N 0.82 1.23 -0.01 2.25 2.07 -1.87 0.21 116.25 120.95 2kck h VAL 78 Ca 0.22 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kck h VAL 78 Cb -0.03 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2kck h VAL 78 CO -0.04 0.27 0.00 -0.50 0.02 0.00 0.00 177.57 177.32 2kck h TRP 79 N 0.41 0.01 -0.33 1.57 4.06 -1.21 0.11 115.95 120.58 2kck h TRP 79 Ca 0.11 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.08 2kck h TRP 79 Cb 0.34 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 2kck h TRP 79 CO 0.02 0.25 0.15 0.00 -3.56 0.00 0.00 178.44 175.31 2kck h ALA 80 N 0.76 0.40 -0.28 1.49 0.00 -0.47 0.48 119.26 121.64 2kck h ALA 80 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kck h ALA 80 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kck h ALA 80 CO 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 179.25 179.15 2kck h ALA 81 N 1.18 0.36 -0.64 0.00 0.00 -0.89 -2.60 119.26 116.68 2kck h ALA 81 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kck h ALA 81 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kck h ALA 81 CO -0.11 -0.06 0.42 -0.22 0.00 0.00 0.00 179.25 179.28 2kck h LYS 82 N 0.31 0.81 -0.14 0.00 3.64 -0.43 -2.43 116.57 118.33 2kck h LYS 82 Ca 0.09 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2kck h LYS 82 Cb 0.15 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2kck h LYS 82 CO -0.01 0.53 -0.05 0.00 -2.27 0.00 0.00 179.45 177.65 2kck h ALA 83 N 1.61 0.07 -0.94 5.00 0.00 -0.52 -0.84 119.26 123.65 2kck h ALA 83 Ca 0.24 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.38 2kck h ALA 83 Cb -0.04 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 2kck h ALA 83 CO -0.06 -0.50 0.52 -0.44 0.00 0.00 0.00 179.25 178.78 2kck h ASP 84 N -0.03 0.64 -0.48 0.00 3.32 -1.25 0.47 116.42 119.10 2kck h ASP 84 Ca 0.07 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2kck h ASP 84 Cb 0.13 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2kck h ASP 84 CO -0.16 0.22 -0.14 0.00 -1.72 0.00 0.00 179.24 177.45 2kck h ALA 85 N 1.63 0.80 -0.08 3.45 0.00 -1.25 -2.84 119.26 120.97 2kck h ALA 85 Ca 0.54 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 85 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kck h ALA 85 CO -0.40 0.66 -0.48 -0.07 0.00 0.00 0.00 179.25 178.96 2kck h LEU 86 N 0.85 0.21 -1.15 0.00 3.38 0.61 -3.01 115.31 116.20 2kck h LEU 86 Ca 0.13 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2kck h LEU 86 Cb 0.69 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2kck h LEU 86 CO 0.05 0.67 0.58 0.03 0.09 0.00 0.00 178.44 179.86 2kck h ARG 87 N 0.16 1.02 -2.89 1.13 2.47 0.05 -3.20 114.38 113.12 2kck h ARG 87 Ca 0.01 -0.06 -0.69 0.00 -1.26 0.00 0.00 59.98 57.98 2kck h ARG 87 Cb 0.91 -0.23 -0.36 0.00 -1.65 0.00 0.00 29.97 28.64 2kck h ARG 87 CO 0.07 0.68 -0.10 0.66 0.56 0.00 0.00 179.97 181.84 2kck n TYR 88 N -4.47 3.60 -4.41 3.04 4.01 -1.14 -4.89 117.16 112.91 2kck n TYR 88 Ca 0.13 -3.85 -0.20 0.00 -0.16 0.00 0.00 57.90 53.82 2kck n TYR 88 Cb 0.16 -0.95 -0.10 0.00 -0.31 0.00 0.00 39.34 38.14 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 -2.00 1.13 0.22 -0.72 2.07 -1.21 -4.83 121.20 115.87 2kck s ILE 89 Ca 0.32 -2.02 -0.14 0.00 -1.41 0.00 0.00 60.65 57.40 2kck s ILE 89 Cb 0.02 -2.64 0.27 0.00 0.13 0.00 0.00 42.46 40.23 2kck s ILE 89 CO -0.05 -0.10 1.60 -0.33 -1.91 0.00 0.00 174.94 174.14 2kck h GLU 90 N 2.24 -0.04 -3.03 3.50 4.39 -1.94 -3.38 114.58 116.32 2kck h GLU 90 Ca -0.40 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.94 2kck h GLU 90 Cb 1.24 0.01 -0.38 0.00 -0.10 0.00 0.00 28.75 29.52 2kck h GLU 90 CO 0.67 -0.02 -0.69 0.20 -1.16 0.00 0.00 179.01 178.01 2kck s GLY 91 N -3.61 0.17 0.02 -3.84 0.00 -1.26 -5.02 107.32 93.78 2kck s GLY 91 Ca -0.14 0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 2kck s GLY 91 CO 0.74 1.70 1.10 0.07 0.00 0.00 0.00 173.10 176.71 2kck h LYS 92 N 8.39 0.51 0.00 2.90 2.10 -1.85 -3.46 116.57 125.16 2kck h LYS 92 Ca -0.14 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 2kck h LYS 92 Cb 1.13 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2kck h LYS 92 CO 0.21 1.23 0.00 -1.91 -2.00 0.00 0.00 179.45 176.98 2kck n GLU 93 N -4.04 0.00 0.00 0.07 2.13 -1.26 -0.13 120.64 117.41 2kck n GLU 93 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 2kck n GLU 93 Cb 0.80 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.51 2kck n GLU 93 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kck n VAL 94 N 0.00 0.00 0.11 6.31 0.31 -1.26 -4.81 118.33 118.99 2kck n VAL 94 Ca 0.00 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 2kck n VAL 94 Cb 0.00 0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 33.75 2kck n VAL 94 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2kck h GLU 95 N 0.00 -0.28 -0.93 5.55 4.81 -0.86 -0.86 114.58 122.01 2kck h GLU 95 Ca 0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2kck h GLU 95 Cb 0.00 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2kck h GLU 95 CO 0.00 -0.19 0.61 0.00 -0.73 0.00 0.00 179.01 178.70 2kck h ALA 96 N 0.54 1.42 0.19 2.92 0.00 -1.80 -1.04 119.26 121.49 2kck h ALA 96 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kck h ALA 96 Cb 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kck h ALA 96 CO -0.03 0.49 -0.09 1.49 0.00 0.00 0.00 179.25 181.10 2kck h GLU 97 N 1.15 -0.25 -0.94 0.00 4.81 -1.70 0.06 114.58 117.72 2kck h GLU 97 Ca 0.37 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 2kck h GLU 97 Cb 0.03 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 2kck h GLU 97 CO -0.12 -0.12 0.61 0.82 -0.73 0.00 0.00 179.01 179.48 2kck h ILE 98 N -0.31 1.17 0.35 2.32 2.04 -0.85 -1.03 117.51 121.20 2kck h ILE 98 Ca -0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2kck h ILE 98 Cb 0.24 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2kck h ILE 98 CO 0.04 0.22 -0.17 0.00 0.00 0.00 0.00 178.15 178.24 2kck h ALA 99 N 1.38 -0.47 -0.74 1.87 0.00 -0.89 0.51 119.26 120.91 2kck h ALA 99 Ca 0.37 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2kck h ALA 99 Cb -0.02 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2kck h ALA 99 CO -0.11 -0.72 0.39 1.49 0.00 0.00 0.00 179.25 180.30 2kck h GLU 100 N -0.56 0.64 -0.07 0.00 4.57 -0.72 0.25 114.58 118.70 2kck h GLU 100 Ca -0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2kck h GLU 100 Cb 0.42 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2kck h GLU 100 CO 0.08 0.42 -0.03 0.00 -1.18 0.00 0.00 179.01 178.30 2kck h ALA 101 N 1.44 0.09 -0.94 2.92 0.00 -0.98 -1.95 119.26 119.84 2kck h ALA 101 Ca 0.36 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2kck h ALA 101 Cb 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2kck h ALA 101 CO -0.26 -0.16 0.60 0.00 0.00 0.00 0.00 179.25 179.43 2kck h ARG 102 N -0.23 1.09 -0.40 0.00 2.47 0.56 -0.07 114.38 117.80 2kck h ARG 102 Ca 0.02 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 2kck h ARG 102 Cb 0.46 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2kck h ARG 102 CO 0.01 0.72 -0.15 0.00 0.56 0.00 0.00 179.97 181.11 2kck h ALA 103 N 1.41 0.99 -0.33 0.04 0.00 -0.47 -2.26 119.26 118.65 2kck h ALA 103 Ca 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 103 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kck h ALA 103 CO -0.15 0.60 0.00 1.17 0.00 0.00 0.00 179.25 180.87 2kck n LYS 104 N -4.15 2.10 -3.06 0.00 4.81 -0.67 -4.82 118.16 112.38 2kck n LYS 104 Ca 0.01 -1.33 -0.42 0.00 -0.87 0.00 0.00 58.31 55.70 2kck n LYS 104 Cb 0.38 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 2kck n LYS 104 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kck s LEU 105 N -1.08 4.27 0.23 3.14 0.20 -0.13 -5.02 118.68 120.29 2kck s LEU 105 Ca 0.24 0.06 0.06 0.00 0.69 0.00 0.00 54.13 55.18 2kck s LEU 105 Cb 0.14 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 2kck s LEU 105 CO 0.14 -0.70 0.27 -1.61 -0.29 0.00 0.00 176.35 174.15 2kck s GLU 106 N 2.89 3.19 0.00 1.98 2.02 -1.26 -5.02 118.70 122.50 2kck s GLU 106 Ca 0.26 -0.88 0.18 0.00 0.02 0.00 0.00 54.97 54.56 2kck s GLU 106 Cb -0.14 -2.74 0.30 0.00 0.10 0.00 0.00 34.13 31.65 2kck s GLU 106 CO 0.17 0.43 1.11 0.72 0.02 0.00 0.00 175.26 177.71 2kck n HIS 107 N -1.16 0.00 -3.57 1.61 8.25 -1.26 -5.06 115.22 114.04 2kck n HIS 107 Ca -0.08 -0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.00 2kck n HIS 107 Cb 0.57 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 2kck n HIS 107 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kck s HIS 108 N 0.00 -0.78 0.00 4.41 5.65 -1.26 -5.01 115.29 118.29 2kck s HIS 108 Ca 0.24 1.46 0.00 0.00 0.25 0.00 0.00 55.06 57.00 2kck s HIS 108 Cb 0.27 0.47 0.00 0.00 -1.18 0.00 0.00 32.58 32.14 2kck s HIS 108 CO -0.12 -0.39 0.00 -2.39 -0.65 0.00 0.00 174.74 171.19 2kck n HIS 109 N 4.45 0.00 -0.62 3.88 -0.00 -1.26 -5.00 115.22 116.68 2kck n HIS 109 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.53 2kck n HIS 109 Cb 0.55 0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.51 2kck n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kck n HIS 110 N 0.00 0.00 -1.27 -1.40 -0.00 -1.26 -4.92 115.22 106.37 2kck n HIS 110 Ca 0.00 -1.06 0.14 0.00 0.46 0.00 0.00 57.72 57.26 2kck n HIS 110 Cb 0.01 -0.85 -0.07 0.00 -0.12 0.00 0.00 29.99 28.97 2kck n HIS 110 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kck n HIS 111 N 1.93 -3.06 1.67 1.57 -0.00 -1.26 -5.33 115.22 110.73 2kck n HIS 111 Ca 0.14 1.66 0.13 0.00 0.46 0.00 0.00 57.72 60.12 2kck n HIS 111 Cb 0.59 -2.79 0.79 0.00 -0.12 0.00 0.00 29.99 28.46 2kck n HIS 111 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52