#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 -3.93 1.12 -1.51 -2.09 -3.43 116.25 107.66 2kck h VAL 2 Ca 0.00 -1.14 -0.53 0.00 -1.23 0.00 0.00 66.70 63.80 2kck h VAL 2 Cb 0.00 0.95 0.09 0.00 -2.13 0.00 0.00 31.29 30.20 2kck h VAL 2 CO 0.00 0.40 0.67 -1.81 -1.23 0.00 0.00 177.57 175.60 2kck s ASP 3 N -6.66 6.39 -0.01 4.19 1.01 -1.26 -4.92 116.67 115.40 2kck s ASP 3 Ca -0.10 2.79 0.02 0.00 0.71 0.00 0.00 52.55 55.97 2kck s ASP 3 Cb 0.14 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.45 2kck s ASP 3 CO 0.83 -0.81 0.91 0.00 0.21 0.00 0.00 175.17 176.30 2kck n GLN 4 N 0.34 2.01 -2.67 8.23 10.64 -1.26 -5.08 117.38 129.59 2kck n GLN 4 Ca 0.02 -1.38 -0.05 0.00 -1.83 0.00 0.00 57.00 53.76 2kck n GLN 4 Cb 0.42 -0.93 -0.04 0.00 -0.86 0.00 0.00 30.24 28.83 2kck n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2kck n ASN 5 N -0.48 -1.77 -1.05 2.61 4.05 -1.26 -4.77 115.26 112.59 2kck n ASN 5 Ca 0.02 1.31 0.00 0.00 0.45 0.00 0.00 54.58 56.36 2kck n ASN 5 Cb 0.37 -4.83 0.00 0.00 1.23 0.00 0.00 39.78 36.55 2kck n ASN 5 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kck n PRO 6 N 1.74 0.91 0.19 1.20 -0.04 -1.26 -4.18 135.00 133.55 2kck n PRO 6 Ca -0.35 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2kck n PRO 6 Cb 0.54 -1.05 0.65 0.00 -0.04 0.00 0.00 33.50 33.61 2kck n PRO 6 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kck h GLU 7 N 0.29 0.00 -0.05 0.54 4.39 -1.99 -1.84 114.58 115.91 2kck h GLU 7 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2kck h GLU 7 Cb 0.91 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2kck h GLU 7 CO 0.00 0.00 -0.66 1.49 -1.16 0.00 0.00 179.01 178.68 2kck h GLU 8 N 0.00 0.23 -0.11 2.33 4.57 -1.94 -2.97 114.58 116.69 2kck h GLU 8 Ca 0.00 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2kck h GLU 8 Cb 0.21 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2kck h GLU 8 CO 0.00 0.81 0.14 1.88 -1.18 0.00 0.00 179.01 180.66 2kck h TYR 9 N 0.16 0.00 0.00 0.92 -1.99 -1.68 -1.80 116.97 112.58 2kck h TYR 9 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2kck h TYR 9 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2kck h TYR 9 CO 0.02 0.00 0.44 0.10 -0.00 0.00 0.00 178.16 178.72 2kck h TYR 10 N 0.00 0.00 -0.39 4.88 -0.00 -1.67 -2.23 116.97 117.56 2kck h TYR 10 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 58.73 58.89 2kck h TYR 10 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.04 2kck h TYR 10 CO 0.00 0.00 1.01 1.37 -0.00 0.00 0.00 178.16 180.54 2kck h LEU 11 N 0.00 0.00 -0.17 0.10 8.10 -1.57 0.72 115.31 122.49 2kck h LEU 11 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 2kck h LEU 11 Cb 0.88 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 2kck h LEU 11 CO 0.00 0.00 0.06 1.05 -4.11 0.00 0.00 178.44 175.44 2kck h GLU 12 N 0.00 0.13 -0.91 0.17 4.11 -1.69 -2.20 114.58 114.19 2kck h GLU 12 Ca 0.19 -0.01 0.37 0.00 0.07 0.00 0.00 59.36 59.98 2kck h GLU 12 Cb 2.19 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 31.25 2kck h GLU 12 CO -0.00 0.09 0.45 0.41 0.07 0.00 0.00 179.01 180.03 2kck n GLY 13 N -1.15 -0.73 0.32 1.06 0.00 0.25 -0.04 105.19 104.91 2kck n GLY 13 Ca -0.03 0.75 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 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 0.21 -0.35 1.61 2.07 -1.55 -1.81 116.25 116.42 2kck h VAL 14 Ca 0.76 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.90 2kck h VAL 14 Cb 1.97 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2kck h VAL 14 CO -0.71 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 176.53 2kck h LEU 15 N -1.10 -1.09 -0.29 2.57 3.38 -0.43 0.37 115.31 118.73 2kck h LEU 15 Ca -0.08 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2kck h LEU 15 Cb 0.64 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 2kck h LEU 15 CO 0.13 -0.18 -0.33 -0.61 0.09 0.00 0.00 178.44 177.53 2kck h GLN 16 N -0.13 -0.31 -0.11 1.13 5.75 -0.94 1.95 115.11 122.44 2kck h GLN 16 Ca 0.06 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 2kck h GLN 16 Cb 0.29 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 2kck h GLN 16 CO -0.40 -0.21 -0.46 -0.92 -2.65 0.00 0.00 178.83 174.19 2kck h TYR 17 N -0.32 -1.37 0.18 3.99 5.03 -0.29 -3.24 116.97 120.96 2kck h TYR 17 Ca 0.14 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2kck h TYR 17 Cb 0.55 0.61 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2kck h TYR 17 CO -0.49 -0.46 -0.09 -0.44 -1.32 0.00 0.00 178.16 175.36 2kck h ASP 18 N -0.49 -0.20 0.00 -2.11 3.32 0.19 -3.47 116.42 113.65 2kck h ASP 18 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kck h ASP 18 Cb 0.57 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2kck h ASP 18 CO -0.37 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.05 2kck n ALA 19 N -2.19 0.00 -1.70 3.45 0.00 0.66 -5.07 120.51 115.66 2kck n ALA 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kck n ALA 19 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2kck n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kck n GLY 20 N 5.00 0.77 3.40 0.00 0.00 -1.18 -4.27 105.19 108.90 2kck n GLY 20 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -5.60 0.17 1.61 3.02 -1.26 -2.25 115.26 110.95 2kck n ASN 21 Ca 0.00 -0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 53.95 2kck n ASN 21 Cb 0.00 -4.49 -0.08 0.00 -0.61 0.00 0.00 39.78 34.60 2kck n ASN 21 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2kck h TYR 22 N -1.81 -0.39 -0.51 3.10 -0.00 -1.97 0.31 116.97 115.69 2kck h TYR 22 Ca -0.54 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.14 2kck h TYR 22 Cb 1.36 0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 38.20 2kck h TYR 22 CO 0.55 -0.11 0.13 1.15 -0.00 0.00 0.00 178.16 179.88 2kck h THR 23 N -0.66 1.24 -0.43 -0.90 2.02 -1.98 -3.01 112.91 109.20 2kck h THR 23 Ca -0.04 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 2kck h THR 23 Cb 0.46 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2kck h THR 23 CO 0.07 0.31 0.18 -0.33 0.37 0.00 0.00 175.52 176.12 2kck h GLU 24 N 0.71 0.64 -0.55 6.66 4.39 -1.94 -2.23 114.58 122.26 2kck h GLU 24 Ca 0.16 -0.11 0.16 0.00 0.34 0.00 0.00 59.36 59.91 2kck h GLU 24 Cb 0.33 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2kck h GLU 24 CO 0.00 0.58 0.46 0.66 -1.16 0.00 0.00 179.01 179.55 2kck h SER 25 N 0.55 0.00 -0.89 1.42 4.64 -0.25 0.50 113.55 119.51 2kck h SER 25 Ca 0.14 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.66 2kck h SER 25 Cb 0.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 2kck h SER 25 CO -0.01 0.00 0.59 -0.29 -0.87 0.00 0.00 176.83 176.24 2kck h ILE 26 N 0.00 0.70 -0.02 0.95 2.10 -1.30 0.16 117.51 120.10 2kck h ILE 26 Ca 0.26 -0.15 -0.00 0.00 1.08 0.00 0.00 64.86 66.05 2kck h ILE 26 Cb 1.18 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.13 2kck h ILE 26 CO -0.00 0.08 0.00 -0.78 -1.08 0.00 0.00 178.15 176.37 2kck h ASP 27 N 0.44 0.04 -0.08 2.19 3.58 -1.04 0.40 116.42 121.95 2kck h ASP 27 Ca 0.46 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2kck h ASP 27 Cb 1.10 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 2kck h ASP 27 CO -0.18 0.32 0.05 -0.07 -2.88 0.00 0.00 179.24 176.48 2kck h LEU 28 N -0.25 0.10 -0.22 2.28 -0.00 -1.25 -1.51 115.31 114.47 2kck h LEU 28 Ca 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2kck h LEU 28 Cb 0.30 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2kck h LEU 28 CO 0.00 0.09 0.10 0.15 -0.00 0.00 0.00 178.44 178.78 2kck h PHE 29 N 0.09 0.32 -0.98 1.13 3.04 -1.01 -2.45 116.94 117.08 2kck h PHE 29 Ca 0.03 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.15 2kck h PHE 29 Cb 0.01 -0.10 -0.09 0.00 2.56 0.00 0.00 35.95 38.33 2kck h PHE 29 CO -0.07 0.33 0.61 1.49 -2.02 0.00 0.00 178.31 178.65 2kck h GLU 30 N 0.22 0.68 -0.58 1.11 4.81 0.02 0.11 114.58 120.94 2kck h GLU 30 Ca 0.07 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2kck h GLU 30 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2kck h GLU 30 CO -0.01 0.45 -0.05 0.87 -0.73 0.00 0.00 179.01 179.54 2kck h LYS 31 N 0.70 1.06 -0.38 1.92 1.57 -0.90 -2.49 116.57 118.04 2kck h LYS 31 Ca 0.54 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2kck h LYS 31 Cb 0.92 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 2kck h LYS 31 CO -0.31 1.06 0.02 0.00 -0.57 0.00 0.00 179.45 179.65 2kck h ALA 32 N 0.96 0.37 -0.50 3.86 0.00 -0.34 -0.55 119.26 123.06 2kck h ALA 32 Ca 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2kck h ALA 32 Cb 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kck h ALA 32 CO 0.04 -0.38 0.15 0.82 0.00 0.00 0.00 179.25 179.88 2kck h ILE 33 N 0.13 1.21 -0.85 0.00 2.04 -1.38 -1.41 117.51 117.25 2kck h ILE 33 Ca 0.19 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2kck h ILE 33 Cb 0.25 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2kck h ILE 33 CO -0.29 0.27 0.55 -0.61 0.00 0.00 0.00 178.15 178.06 2kck h GLN 34 N 0.73 1.04 -0.18 2.37 4.15 -0.66 -1.07 115.11 121.49 2kck h GLN 34 Ca 0.17 -0.06 -0.21 0.00 0.77 0.00 0.00 58.65 59.31 2kck h GLN 34 Cb 0.23 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.69 2kck h GLN 34 CO -0.01 0.69 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.79 2kck h LEU 35 N 1.07 0.95 -6.54 -2.39 4.07 -0.98 -3.42 115.31 108.06 2kck h LEU 35 Ca 0.34 -0.61 -0.36 0.00 0.08 0.00 0.00 57.88 57.33 2kck h LEU 35 Cb -0.00 -0.28 -0.34 0.00 1.08 0.00 0.00 40.66 41.12 2kck h LEU 35 CO -0.11 1.40 -0.66 -1.81 -1.08 0.00 0.00 178.44 176.18 2kck s ASP 36 N -7.06 1.92 -1.14 -0.43 1.01 -0.56 -4.99 116.67 105.42 2kck s ASP 36 Ca -0.11 -0.84 -0.17 0.00 0.71 0.00 0.00 52.55 52.14 2kck s ASP 36 Cb 0.09 0.40 0.12 0.00 1.01 0.00 0.00 42.92 44.53 2kck s ASP 36 CO 0.90 -0.39 1.45 -2.16 0.21 0.00 0.00 175.17 175.17 2kck s PRO 37 N 2.32 3.87 0.00 8.23 0.04 -0.46 -3.80 135.00 145.20 2kck s PRO 37 Ca 0.09 -2.02 0.00 0.00 0.04 0.00 0.00 61.00 59.12 2kck s PRO 37 Cb -0.14 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2kck s PRO 37 CO -0.33 -1.96 0.00 -0.85 0.04 0.00 0.00 177.00 173.89 2kck n GLU 38 N 7.07 0.00 -2.11 4.56 0.28 -1.26 -5.09 120.64 124.09 2kck n GLU 38 Ca 0.36 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 57.00 2kck n GLU 38 Cb 0.46 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.30 2kck n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kck s GLU 39 N 0.00 2.70 0.11 3.44 0.41 -1.25 -4.84 118.70 119.26 2kck s GLU 39 Ca 0.00 0.29 -0.18 0.00 -0.41 0.00 0.00 54.97 54.67 2kck s GLU 39 Cb 0.00 -4.53 -0.05 0.00 -1.78 0.00 0.00 34.13 27.76 2kck s GLU 39 CO 0.00 -2.79 1.63 1.03 -0.49 0.00 0.00 175.26 174.64 2kck h SER 40 N 13.57 0.41 -1.05 -0.19 0.87 -1.98 -2.52 113.55 122.66 2kck h SER 40 Ca -0.18 -0.19 0.30 0.00 -1.23 0.00 0.00 61.79 60.49 2kck h SER 40 Cb 1.11 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 2kck h SER 40 CO 1.23 0.49 0.75 0.50 -0.53 0.00 0.00 176.83 179.27 2kck h LYS 41 N 0.31 0.04 0.09 2.24 3.64 -2.01 0.53 116.57 121.41 2kck h LYS 41 Ca 0.09 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.20 2kck h LYS 41 Cb 0.22 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2kck h LYS 41 CO -0.00 0.02 -1.15 1.88 -2.27 0.00 0.00 179.45 177.92 2kck h TYR 42 N 0.04 0.69 -0.05 1.91 -1.99 -1.86 -3.24 116.97 112.47 2kck h TYR 42 Ca 0.51 -0.44 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 2kck h TYR 42 Cb 1.97 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 40.63 2kck h TYR 42 CO -0.00 1.30 -0.33 -1.49 -0.00 0.00 0.00 178.16 177.64 2kck h TRP 43 N 0.18 0.11 -0.88 4.88 4.06 0.24 -2.82 115.95 121.72 2kck h TRP 43 Ca -0.14 -0.02 0.13 0.00 2.06 0.00 0.00 58.89 60.92 2kck h TRP 43 Cb 1.83 -0.03 -0.09 0.00 -1.00 0.00 0.00 29.16 29.88 2kck h TRP 43 CO 0.08 0.42 0.50 1.25 -3.56 0.00 0.00 178.44 177.13 2kck h LEU 44 N 0.09 0.67 -0.72 -4.49 6.46 -1.13 -0.18 115.31 116.02 2kck h LEU 44 Ca 0.01 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2kck h LEU 44 Cb 0.64 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 2kck h LEU 44 CO 0.05 0.33 0.26 0.24 -0.62 0.00 0.00 178.44 178.70 2kck h MET 45 N 0.76 1.10 0.04 1.25 2.86 -1.63 -2.11 114.93 117.20 2kck h MET 45 Ca 0.46 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2kck h MET 45 Cb 0.54 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2kck h MET 45 CO -0.31 0.92 -0.49 -0.22 1.06 0.00 0.00 176.91 177.88 2kck h LYS 46 N 1.05 -0.64 -0.07 1.72 1.63 -1.07 0.71 116.57 119.90 2kck h LYS 46 Ca 0.24 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2kck h LYS 46 Cb 0.25 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 2kck h LYS 46 CO -0.01 -0.43 -0.09 0.78 -3.45 0.00 0.00 179.45 176.25 2kck h GLY 47 N -0.66 -0.03 0.68 5.01 0.00 -1.40 -0.06 103.07 106.61 2kck h GLY 47 Ca 0.02 0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.54 2kck h GLY 47 CO -0.32 -0.10 0.62 1.70 0.00 0.00 0.00 176.54 178.44 2kck h LYS 48 N -0.11 1.01 -0.11 4.80 3.64 -0.93 0.16 116.57 125.02 2kck h LYS 48 Ca 0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kck h LYS 48 Cb 0.20 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kck h LYS 48 CO -0.14 0.67 0.02 0.00 -2.27 0.00 0.00 179.45 177.72 2kck h ALA 49 N 1.51 0.14 -0.78 5.00 0.00 0.12 -0.57 119.26 124.68 2kck h ALA 49 Ca 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2kck h ALA 49 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2kck h ALA 49 CO -0.20 -0.21 0.44 -0.07 0.00 0.00 0.00 179.25 179.22 2kck h LEU 50 N -0.05 0.97 -0.04 0.00 3.38 -0.34 0.31 115.31 119.53 2kck h LEU 50 Ca 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kck h LEU 50 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kck h LEU 50 CO 0.00 0.78 0.02 0.22 0.09 0.00 0.00 178.44 179.54 2kck h TYR 51 N 1.08 0.06 -0.05 1.13 3.20 -0.59 0.18 116.97 121.98 2kck h TYR 51 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2kck h TYR 51 Cb 0.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2kck h TYR 51 CO -0.00 0.20 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.72 2kck h ASN 52 N -0.10 0.06 0.00 -2.11 -0.26 -0.85 0.52 115.58 112.84 2kck h ASN 52 Ca 0.01 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kck h ASN 52 Cb 0.17 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2kck h ASN 52 CO -0.00 0.17 0.00 0.18 -1.06 0.00 0.00 177.43 176.72 2kck n LEU 53 N -4.39 0.00 0.00 1.61 4.77 0.08 -4.82 117.00 114.25 2kck n LEU 53 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kck n LEU 53 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2kck n LEU 53 CO 0.36 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.58 2kck n GLU 54 N -0.91 0.00 -3.23 3.23 -0.00 0.17 -4.99 120.64 114.91 2kck n GLU 54 Ca 0.14 0.36 -0.35 0.00 -0.00 0.00 0.00 57.16 57.30 2kck n GLU 54 Cb 0.06 -3.82 -0.04 0.00 -0.00 0.00 0.00 31.44 27.65 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 -2.43 3.49 -0.36 3.44 1.74 0.61 -4.85 116.66 118.31 2kck n ARG 55 Ca 0.00 -4.61 0.02 0.00 -0.77 0.00 0.00 57.85 52.49 2kck n ARG 55 Cb 0.14 -2.39 0.16 0.00 -1.02 0.00 0.00 32.46 29.34 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 4.92 1.17 0.11 -1.55 0.05 -1.83 0.56 116.97 120.41 2kck h TYR 56 Ca 0.20 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 2kck h TYR 56 Cb 0.65 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2kck h TYR 56 CO 0.86 0.62 -0.05 1.49 -1.05 0.00 0.00 178.16 180.03 2kck h GLU 57 N 1.16 -0.15 -0.53 4.88 4.81 -1.94 0.13 114.58 122.95 2kck h GLU 57 Ca 0.41 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 2kck h GLU 57 Cb 0.12 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2kck h GLU 57 CO -0.16 0.02 -0.03 0.93 -0.73 0.00 0.00 179.01 179.04 2kck h GLU 58 N -0.29 0.92 0.08 1.92 5.08 -1.80 -1.27 114.58 119.22 2kck h GLU 58 Ca -0.02 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2kck h GLU 58 Cb 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kck h GLU 58 CO 0.03 0.93 -0.04 0.00 -1.00 0.00 0.00 179.01 178.92 2kck h ALA 59 N 1.12 -0.11 -0.69 3.43 0.00 0.28 0.11 119.26 123.40 2kck h ALA 59 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kck h ALA 59 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2kck h ALA 59 CO 0.03 -0.49 0.45 0.28 0.00 0.00 0.00 179.25 179.52 2kck h VAL 60 N -0.26 1.16 -0.66 0.00 2.07 -0.66 0.33 116.25 118.23 2kck h VAL 60 Ca -0.01 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2kck h VAL 60 Cb 0.22 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2kck h VAL 60 CO 0.02 0.17 0.20 -0.78 0.02 0.00 0.00 177.57 177.20 2kck h ASP 61 N 0.92 0.95 0.10 0.57 3.58 -1.06 -1.85 116.42 119.62 2kck h ASP 61 Ca 0.26 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kck h ASP 61 Cb -0.09 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.72 2kck h ASP 61 CO -0.06 0.89 -0.05 0.00 -2.88 0.00 0.00 179.24 177.14 2kck h TYR 63 N -0.68 0.84 -0.04 0.00 5.03 -0.29 0.92 116.97 122.75 2kck h TYR 63 Ca -0.01 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.34 2kck h TYR 63 Cb 0.54 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 2kck h TYR 63 CO 0.09 0.12 0.06 -0.97 -1.32 0.00 0.00 178.16 176.14 2kck h ASN 64 N 0.60 0.00 -0.48 -2.11 -1.24 -1.33 -1.07 115.58 109.95 2kck h ASN 64 Ca 0.54 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.56 2kck h ASN 64 Cb 0.89 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 2kck h ASN 64 CO -0.42 0.00 0.30 0.22 -1.29 0.00 0.00 177.43 176.24 2kck h TYR 65 N 0.00 0.57 -0.19 0.67 5.03 0.91 1.25 116.97 125.20 2kck h TYR 65 Ca 0.02 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 2kck h TYR 65 Cb 0.13 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 2kck h TYR 65 CO 0.00 0.34 -0.04 0.28 -1.32 0.00 0.00 178.16 177.43 2kck h VAL 66 N 0.61 1.28 -0.47 1.81 2.07 -1.24 0.30 116.25 120.61 2kck h VAL 66 Ca 0.18 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 2kck h VAL 66 Cb -0.03 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2kck h VAL 66 CO -0.06 0.30 -0.15 0.40 0.02 0.00 0.00 177.57 178.08 2kck h ILE 67 N 0.09 1.27 0.00 4.57 5.03 -1.32 -0.52 117.51 126.64 2kck h ILE 67 Ca 0.05 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.51 2kck h ILE 67 Cb 0.47 1.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.33 2kck h ILE 67 CO 0.02 0.44 0.00 -3.20 -0.68 0.00 0.00 178.15 174.73 2kck n ASN 68 N -4.13 0.00 -0.25 1.72 2.85 0.43 -4.00 115.26 111.88 2kck n ASN 68 Ca 0.01 0.55 0.05 0.00 -0.11 0.00 0.00 54.58 55.08 2kck n ASN 68 Cb 0.41 -0.43 0.18 0.00 1.24 0.00 0.00 39.78 41.18 2kck n ASN 68 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kck h VAL 69 N 0.00 0.50 -3.34 3.44 2.07 -0.55 -3.38 116.25 114.99 2kck h VAL 69 Ca 0.00 -0.09 -0.65 0.00 0.82 0.00 0.00 66.70 66.78 2kck h VAL 69 Cb 0.00 0.23 -0.26 0.00 -1.52 0.00 0.00 31.29 29.75 2kck h VAL 69 CO 0.00 0.05 -0.75 -0.63 0.02 0.00 0.00 177.57 176.26 2kck s ILE 70 N -6.05 3.22 -0.53 4.57 1.01 -0.20 -4.99 121.20 118.22 2kck s ILE 70 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2kck s ILE 70 Cb 0.21 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2kck s ILE 70 CO 0.75 0.52 0.67 1.21 0.00 0.00 0.00 174.94 178.09 2kck n GLU 71 N 3.46 0.91 0.00 2.79 4.07 -1.26 -3.66 120.64 126.96 2kck n GLU 71 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 2kck n GLU 71 Cb 0.53 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 2kck n GLU 71 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2kck n ASP 72 N 0.28 1.23 -4.40 4.31 5.75 -1.26 -4.75 116.55 117.70 2kck n ASP 72 Ca 0.00 -1.49 -0.13 0.00 -0.01 0.00 0.00 54.79 53.15 2kck n ASP 72 Cb 0.33 -0.37 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 2kck n ASP 72 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2kck n GLU 73 N 0.29 0.07 0.00 0.11 2.13 -1.26 -2.60 120.64 119.37 2kck n GLU 73 Ca 0.00 -1.33 0.00 0.00 0.66 0.00 0.00 57.16 56.49 2kck n GLU 73 Cb 0.25 -3.30 0.00 0.00 0.27 0.00 0.00 31.44 28.66 2kck n GLU 73 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2kck n TYR 74 N 16.40 0.00 -1.40 4.31 9.36 -1.26 -5.10 117.16 139.46 2kck n TYR 74 Ca 0.33 0.00 -0.58 0.00 3.32 0.00 0.00 57.90 60.97 2kck n TYR 74 Cb 0.47 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.08 2kck n TYR 74 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kck n ASN 75 N -0.33 1.31 -0.15 2.98 3.02 -1.07 -4.79 115.26 116.23 2kck n ASN 75 Ca 0.00 0.70 -0.00 0.00 -0.03 0.00 0.00 54.58 55.25 2kck n ASN 75 Cb 0.00 -1.01 0.25 0.00 -0.61 0.00 0.00 39.78 38.40 2kck n ASN 75 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2kck h LYS 76 N 9.27 0.87 -0.22 3.52 1.57 -1.94 -0.60 116.57 129.04 2kck h LYS 76 Ca -0.22 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2kck h LYS 76 Cb 1.38 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2kck h LYS 76 CO 1.05 0.65 0.05 -0.44 -0.57 0.00 0.00 179.45 180.18 2kck h ASP 77 N 0.87 0.33 -0.04 0.86 3.32 -1.97 0.83 116.42 120.63 2kck h ASP 77 Ca 0.22 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kck h ASP 77 Cb 0.05 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kck h ASP 77 CO -0.03 0.49 0.01 0.58 -1.72 0.00 0.00 179.24 178.56 2kck h VAL 78 N 0.16 1.18 -0.24 -1.35 2.07 -1.85 -0.21 116.25 116.01 2kck h VAL 78 Ca 0.07 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2kck h VAL 78 Cb 0.29 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2kck h VAL 78 CO 0.00 0.15 0.14 -0.50 0.02 0.00 0.00 177.57 177.38 2kck h TRP 79 N -0.15 0.27 -0.93 1.57 4.06 -1.10 -1.02 115.95 118.64 2kck h TRP 79 Ca 0.01 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.98 2kck h TRP 79 Cb 0.23 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.26 2kck h TRP 79 CO 0.00 0.16 0.61 0.00 -3.56 0.00 0.00 178.44 175.65 2kck h ALA 80 N 1.11 1.18 -0.29 1.49 0.00 -0.76 -2.03 119.26 119.96 2kck h ALA 80 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kck h ALA 80 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2kck h ALA 80 CO -0.04 0.59 0.17 0.00 0.00 0.00 0.00 179.25 179.96 2kck h ALA 81 N 1.34 0.37 -0.94 0.00 0.00 -0.52 -2.51 119.26 117.00 2kck h ALA 81 Ca 0.34 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2kck h ALA 81 Cb -0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2kck h ALA 81 CO -0.07 -0.11 0.62 -0.22 0.00 0.00 0.00 179.25 179.46 2kck h LYS 82 N 0.36 1.10 -0.25 0.00 3.64 -0.79 -2.35 116.57 118.29 2kck h LYS 82 Ca 0.10 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2kck h LYS 82 Cb 0.04 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 31.55 2kck h LYS 82 CO -0.02 0.73 -0.11 0.00 -2.27 0.00 0.00 179.45 177.78 2kck h ALA 83 N 1.47 0.11 -0.92 5.00 0.00 -0.93 -0.65 119.26 123.35 2kck h ALA 83 Ca 0.39 0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.59 2kck h ALA 83 Cb 0.10 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 2kck h ALA 83 CO -0.14 -0.51 0.48 -0.44 0.00 0.00 0.00 179.25 178.64 2kck h ASP 84 N -0.07 0.55 -0.67 0.00 3.32 -1.26 0.26 116.42 118.56 2kck h ASP 84 Ca 0.13 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2kck h ASP 84 Cb 0.27 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2kck h ASP 84 CO -0.30 0.16 0.14 0.00 -1.72 0.00 0.00 179.24 177.52 2kck h ALA 85 N 1.64 0.89 0.00 3.45 0.00 -1.07 -2.11 119.26 122.05 2kck h ALA 85 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2kck h ALA 85 Cb 0.89 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kck h ALA 85 CO -0.43 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.38 2kck h LEU 86 N 1.01 0.00 -0.16 0.00 3.38 0.43 -2.62 115.31 117.36 2kck h LEU 86 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2kck h LEU 86 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kck h LEU 86 CO 0.01 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.40 2kck n ARG 87 N -3.02 0.04 -2.61 1.13 0.63 0.63 -3.03 116.66 110.44 2kck n ARG 87 Ca 0.01 0.29 -0.13 0.00 -0.92 0.00 0.00 57.85 57.11 2kck n ARG 87 Cb 0.34 -1.58 0.03 0.00 0.45 0.00 0.00 32.46 31.69 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 -1.66 1.78 -4.58 -0.14 4.01 -0.99 -5.06 117.16 110.52 2kck n TYR 88 Ca 0.03 -2.73 -0.22 0.00 -0.16 0.00 0.00 57.90 54.83 2kck n TYR 88 Cb 0.18 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 38.78 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 -3.86 1.08 0.07 -0.72 2.07 -1.17 -4.94 121.20 113.72 2kck s ILE 89 Ca 0.33 -0.64 -0.30 0.00 -1.41 0.00 0.00 60.65 58.63 2kck s ILE 89 Cb 0.42 -0.91 -0.10 0.00 0.13 0.00 0.00 42.46 42.01 2kck s ILE 89 CO -0.02 0.26 1.93 -0.62 -1.91 0.00 0.00 174.94 174.57 2kck n GLU 90 N 2.62 2.86 -2.55 3.50 1.02 -1.26 -4.90 120.64 121.92 2kck n GLU 90 Ca -0.15 1.05 -0.01 0.00 -0.02 0.00 0.00 57.16 58.03 2kck n GLU 90 Cb 0.55 -2.98 0.01 0.00 -0.02 0.00 0.00 31.44 29.00 2kck n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kck n GLY 91 N 4.44 0.88 1.19 0.62 0.00 -1.26 -5.00 105.19 106.06 2kck n GLY 91 Ca 0.19 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 2kck n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kck n LYS 92 N -0.33 1.62 -3.80 1.61 5.02 -1.26 -4.82 118.16 116.20 2kck n LYS 92 Ca -0.00 -0.87 -0.28 0.00 -2.02 0.00 0.00 58.31 55.14 2kck n LYS 92 Cb 0.25 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2kck n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kck n GLU 93 N 0.08 -6.30 0.00 1.97 -0.58 -1.26 -4.84 120.64 109.71 2kck n GLU 93 Ca 0.14 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 2kck n GLU 93 Cb 0.73 -5.61 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 2kck n GLU 93 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2kck n VAL 94 N -4.76 0.00 0.03 2.62 3.14 -1.26 -4.66 118.33 113.44 2kck n VAL 94 Ca 0.01 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.29 2kck n VAL 94 Cb 0.55 -0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 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 -0.18 -0.41 1.45 5.08 -1.92 -0.91 114.58 117.69 2kck h GLU 95 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2kck h GLU 95 Cb 0.60 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2kck h GLU 95 CO 0.00 -0.12 0.27 0.00 -1.00 0.00 0.00 179.01 178.16 2kck h ALA 96 N 0.82 1.71 0.16 3.43 0.00 -1.88 -0.43 119.26 123.06 2kck h ALA 96 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kck h ALA 96 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kck h ALA 96 CO -0.17 0.27 -0.08 0.93 0.00 0.00 0.00 179.25 180.20 2kck h GLU 97 N 0.55 -0.20 -0.62 0.00 5.08 -1.55 0.09 114.58 117.93 2kck h GLU 97 Ca 0.15 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2kck h GLU 97 Cb -0.06 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2kck h GLU 97 CO -0.03 0.05 0.33 0.82 -1.00 0.00 0.00 179.01 179.18 2kck h ILE 98 N -0.45 1.20 0.50 3.13 5.03 -0.91 -0.96 117.51 125.06 2kck h ILE 98 Ca -0.02 -0.53 -0.02 0.00 -0.12 0.00 0.00 64.86 64.16 2kck h ILE 98 Cb 0.35 0.42 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 2kck h ILE 98 CO 0.04 0.22 -0.24 0.00 -0.68 0.00 0.00 178.15 177.49 2kck h ALA 99 N 1.15 -0.67 -0.96 1.87 0.00 -1.01 0.61 119.26 120.25 2kck h ALA 99 Ca 0.22 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2kck h ALA 99 Cb 0.06 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2kck h ALA 99 CO -0.03 -0.86 0.61 1.49 0.00 0.00 0.00 179.25 180.46 2kck h GLU 100 N -0.71 0.89 -0.05 0.00 4.22 -0.88 0.40 114.58 118.45 2kck h GLU 100 Ca -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 2kck h GLU 100 Cb 0.53 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kck h GLU 100 CO 0.11 0.59 -0.09 0.00 -2.18 0.00 0.00 179.01 177.44 2kck h ALA 101 N 1.56 0.08 -0.91 2.92 0.00 -0.78 -2.93 119.26 119.20 2kck h ALA 101 Ca 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kck h ALA 101 Cb 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2kck h ALA 101 CO -0.24 -0.07 0.53 0.00 0.00 0.00 0.00 179.25 179.47 2kck h ARG 102 N -0.34 1.25 -0.22 0.00 2.47 0.90 0.55 114.38 118.99 2kck h ARG 102 Ca 0.00 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.62 2kck h ARG 102 Cb 0.66 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 2kck h ARG 102 CO 0.02 0.89 0.06 0.00 0.56 0.00 0.00 179.97 181.49 2kck h ALA 103 N 1.32 0.23 -0.04 0.04 0.00 -0.24 -3.07 119.26 117.51 2kck h ALA 103 Ca 0.32 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2kck h ALA 103 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kck h ALA 103 CO -0.06 -0.37 -0.28 0.87 0.00 0.00 0.00 179.25 179.42 2kck h LYS 104 N 0.15 0.26 -5.66 0.00 6.56 -1.30 -3.41 116.57 113.17 2kck h LYS 104 Ca 0.10 -0.22 -0.29 0.00 -1.06 0.00 0.00 60.65 59.17 2kck h LYS 104 Cb 0.08 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2kck h LYS 104 CO -0.12 0.89 0.84 -1.17 -2.06 0.00 0.00 179.45 177.84 2kck s LEU 105 N -8.65 3.16 0.00 2.94 0.20 0.19 -4.35 118.68 112.16 2kck s LEU 105 Ca -0.15 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.71 2kck s LEU 105 Cb 0.02 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2kck s LEU 105 CO 0.76 -2.98 0.00 -0.62 -0.29 0.00 0.00 176.35 173.21 2kck n GLU 106 N 8.95 0.00 -2.07 1.98 -0.58 -1.26 -4.77 120.64 122.89 2kck n GLU 106 Ca 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.09 2kck n GLU 106 Cb 0.48 -0.05 0.01 0.00 -0.57 0.00 0.00 31.44 31.31 2kck n GLU 106 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kck n HIS 107 N -2.57 -1.22 -2.35 -0.32 1.44 -1.26 -5.14 115.22 103.80 2kck n HIS 107 Ca 0.00 -0.56 -0.41 0.00 -2.01 0.00 0.00 57.72 54.74 2kck n HIS 107 Cb 0.05 0.28 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 2kck n HIS 107 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kck s HIS 108 N -5.87 3.40 0.26 -1.40 3.76 -1.26 -4.80 115.29 109.37 2kck s HIS 108 Ca 0.06 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2kck s HIS 108 Cb -0.01 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 30.22 2kck s HIS 108 CO 0.03 -1.28 0.00 1.58 -0.85 0.00 0.00 174.74 174.22 2kck n HIS 109 N 2.44 -3.38 -2.49 1.40 -0.00 -1.26 -5.10 115.22 106.83 2kck n HIS 109 Ca 0.04 0.83 -0.42 0.00 -0.00 0.00 0.00 57.72 58.17 2kck n HIS 109 Cb 0.44 2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 32.61 2kck n HIS 109 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kck s HIS 110 N -2.00 3.35 0.19 1.57 5.04 -1.26 -5.00 115.29 117.18 2kck s HIS 110 Ca 0.00 1.33 -0.30 0.00 -1.54 0.00 0.00 55.06 54.55 2kck s HIS 110 Cb 0.00 -3.37 -0.08 0.00 0.04 0.00 0.00 32.58 29.17 2kck s HIS 110 CO 0.00 -1.07 1.13 -1.01 -2.34 0.00 0.00 174.74 171.45 2kck s HIS 111 N 1.65 3.54 -2.00 3.88 3.76 -1.26 -5.25 115.29 119.62 2kck s HIS 111 Ca 0.56 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 57.09 2kck s HIS 111 Cb -0.25 -3.32 0.37 0.00 1.11 0.00 0.00 32.58 30.48 2kck s HIS 111 CO 0.25 -0.78 0.83 1.58 -0.85 0.00 0.00 174.74 175.78