#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 1.09 -0.64 3.17 -1.51 -2.06 -2.74 116.25 113.56 2kck h VAL 2 Ca 0.00 -1.01 -0.03 0.00 -1.23 0.00 0.00 66.70 64.43 2kck h VAL 2 Cb 0.00 1.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 2kck h VAL 2 CO 0.00 0.28 0.28 0.44 -1.23 0.00 0.00 177.57 177.33 2kck h ASP 3 N 0.00 0.86 -3.10 4.19 3.32 -2.07 -3.39 116.42 116.23 2kck h ASP 3 Ca -0.00 -0.16 -0.52 0.00 0.02 0.00 0.00 57.03 56.37 2kck h ASP 3 Cb 0.54 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 39.46 2kck h ASP 3 CO 0.04 0.78 -0.76 -1.10 -1.72 0.00 0.00 179.24 176.47 2kck s GLN 4 N -5.61 0.43 -0.04 3.56 -1.52 -1.04 -5.01 119.66 110.44 2kck s GLN 4 Ca -0.13 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 52.86 2kck s GLN 4 Cb 0.13 -1.82 -0.24 0.00 -0.22 0.00 0.00 33.01 30.86 2kck s GLN 4 CO 0.80 -0.79 0.68 -0.97 -0.25 0.00 0.00 175.29 174.76 2kck h ASN 5 N 8.29 0.14 -0.38 5.90 -0.00 -1.77 -3.39 115.58 124.38 2kck h ASN 5 Ca -0.16 -0.27 -0.44 0.00 -0.00 0.00 0.00 56.30 55.43 2kck h ASN 5 Cb 1.08 -0.05 -0.08 0.00 -0.00 0.00 0.00 38.32 39.28 2kck h ASN 5 CO 0.37 1.24 1.13 -0.81 -0.00 0.00 0.00 177.43 179.36 2kck n PRO 6 N -3.22 2.82 -0.03 6.67 -0.04 -1.26 -4.53 135.00 135.41 2kck n PRO 6 Ca -0.18 -1.88 -0.16 0.00 -0.04 0.00 0.00 63.50 61.24 2kck n PRO 6 Cb 1.04 -2.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 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 3.67 0.43 -0.13 0.54 5.08 -1.98 -3.24 114.58 118.95 2kck h GLU 7 Ca 0.46 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2kck h GLU 7 Cb 0.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2kck h GLU 7 CO 0.89 1.00 -0.50 0.93 -1.00 0.00 0.00 179.01 180.33 2kck h GLU 8 N -0.02 0.36 -0.19 2.33 4.39 -1.96 -2.98 114.58 116.50 2kck h GLU 8 Ca -0.03 -0.20 0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kck h GLU 8 Cb 1.09 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2kck h GLU 8 CO 0.09 0.78 0.43 1.88 -1.16 0.00 0.00 179.01 181.03 2kck h TYR 9 N 0.28 0.00 -0.07 4.33 -1.99 -1.89 0.23 116.97 117.86 2kck h TYR 9 Ca 0.01 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.76 2kck h TYR 9 Cb 0.98 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 2kck h TYR 9 CO 0.03 0.00 0.49 0.10 -0.00 0.00 0.00 178.16 178.78 2kck h TYR 10 N 0.00 0.00 -0.69 4.88 -0.00 -1.62 -1.55 116.97 117.99 2kck h TYR 10 Ca 0.09 0.00 0.20 0.00 -0.00 0.00 0.00 58.73 59.02 2kck h TYR 10 Cb 0.96 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.66 2kck h TYR 10 CO 0.00 0.00 0.98 1.37 -0.00 0.00 0.00 178.16 180.51 2kck h LEU 11 N 0.00 0.00 0.03 0.10 8.10 -1.21 0.31 115.31 122.65 2kck h LEU 11 Ca 0.03 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.05 2kck h LEU 11 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.21 2kck h LEU 11 CO -0.00 0.00 -0.18 1.05 -4.11 0.00 0.00 178.44 175.20 2kck h GLU 12 N 0.00 -0.29 -0.93 0.17 -0.00 -1.55 -1.88 114.58 110.10 2kck h GLU 12 Ca 0.33 0.02 0.31 0.00 -0.00 0.00 0.00 59.36 60.02 2kck h GLU 12 Cb 2.28 0.07 -0.08 0.00 -0.00 0.00 0.00 28.75 31.02 2kck h GLU 12 CO -0.00 -0.20 0.61 0.41 -0.00 0.00 0.00 179.01 179.83 2kck n GLY 13 N -1.31 -0.54 0.07 1.06 0.00 0.11 0.25 105.19 104.84 2kck n GLY 13 Ca -0.05 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 1.44 -0.14 1.61 2.07 -1.51 -3.07 116.25 116.64 2kck h VAL 14 Ca 0.56 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 66.42 2kck h VAL 14 Cb 1.88 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 2kck h VAL 14 CO -0.25 0.41 -0.13 -0.07 0.02 0.00 0.00 177.57 177.56 2kck h LEU 15 N -0.79 -0.45 -0.36 2.57 3.38 0.34 0.81 115.31 120.81 2kck h LEU 15 Ca -0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2kck h LEU 15 Cb 0.71 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 2kck h LEU 15 CO 0.01 -0.08 -0.42 0.06 0.09 0.00 0.00 178.44 178.10 2kck h GLN 16 N -0.06 -0.34 0.02 1.13 3.07 -1.49 2.00 115.11 119.45 2kck h GLN 16 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.80 2kck h GLN 16 Cb 0.12 0.08 -0.05 0.00 0.08 0.00 0.00 27.48 27.71 2kck h GLN 16 CO -0.16 -0.23 -0.45 -0.92 0.09 0.00 0.00 178.83 177.16 2kck h TYR 17 N -0.35 -1.32 0.00 0.06 3.20 -1.21 -3.32 116.97 114.02 2kck h TYR 17 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2kck h TYR 17 Cb 0.59 0.57 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2kck h TYR 17 CO -0.59 -0.48 0.00 -3.47 -1.64 0.00 0.00 178.16 171.97 2kck n ASP 18 N -4.97 0.00 -4.57 -2.11 -0.08 0.27 -4.65 116.55 100.44 2kck n ASP 18 Ca -0.06 0.20 -0.40 0.00 -1.51 0.00 0.00 54.79 53.02 2kck n ASP 18 Cb 0.33 -0.09 -0.03 0.00 2.34 0.00 0.00 41.12 43.68 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kck s ALA 19 N -3.45 2.48 -0.74 -1.67 0.00 0.67 -4.88 121.76 114.18 2kck s ALA 19 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2kck s ALA 19 Cb 0.00 -4.19 -0.20 0.00 0.00 0.00 0.00 23.12 18.73 2kck s ALA 19 CO 0.00 -3.38 1.87 0.41 0.00 0.00 0.00 175.76 174.67 2kck n GLY 20 N 5.53 1.28 2.24 0.00 0.00 -1.25 -3.27 105.19 109.72 2kck n GLY 20 Ca 0.19 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 11.31 1.00 -0.44 1.61 3.02 -1.26 -4.94 115.26 125.56 2kck n ASN 21 Ca 0.47 -3.01 0.36 0.00 -0.03 0.00 0.00 54.58 52.37 2kck n ASN 21 Cb 0.43 -0.62 0.65 0.00 -0.61 0.00 0.00 39.78 39.63 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2kck h TYR 22 N 3.17 0.47 -0.05 3.10 -1.99 -1.91 0.70 116.97 120.47 2kck h TYR 22 Ca 0.10 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2kck h TYR 22 Cb 0.92 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.53 2kck h TYR 22 CO 0.47 -0.14 0.03 1.15 -0.00 0.00 0.00 178.16 179.67 2kck h THR 23 N 0.12 1.03 -0.69 -2.88 2.02 -1.93 -2.69 112.91 107.89 2kck h THR 23 Ca 0.78 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.95 2kck h THR 23 Cb 2.49 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.83 2kck h THR 23 CO -0.35 0.03 0.37 -0.33 0.37 0.00 0.00 175.52 175.61 2kck h GLU 24 N 0.04 0.64 -0.35 6.66 4.39 -0.01 0.06 114.58 126.02 2kck h GLU 24 Ca 0.02 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.78 2kck h GLU 24 Cb 0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2kck h GLU 24 CO -0.00 0.42 0.44 0.66 -1.16 0.00 0.00 179.01 179.37 2kck h SER 25 N 0.66 0.00 -0.85 1.42 4.64 -1.12 0.64 113.55 118.94 2kck h SER 25 Ca 0.32 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.68 2kck h SER 25 Cb 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 2kck h SER 25 CO -0.22 0.00 0.55 -0.29 -0.87 0.00 0.00 176.83 176.00 2kck h ILE 26 N 0.00 1.12 -0.71 0.95 2.10 -0.89 0.08 117.51 120.16 2kck h ILE 26 Ca 0.17 -0.36 0.04 0.00 1.08 0.00 0.00 64.86 65.79 2kck h ILE 26 Cb 1.05 -0.02 -0.05 0.00 -1.09 0.00 0.00 36.82 36.71 2kck h ILE 26 CO -0.00 0.19 0.43 0.44 -1.08 0.00 0.00 178.15 178.13 2kck h ASP 27 N 1.05 0.69 -0.24 2.19 3.32 -0.99 0.23 116.42 122.67 2kck h ASP 27 Ca 0.35 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 2kck h ASP 27 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2kck h ASP 27 CO -0.12 0.46 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.66 2kck h LEU 28 N 0.82 0.53 -0.23 1.55 -0.00 -1.43 -2.49 115.31 114.06 2kck h LEU 28 Ca 0.30 -0.42 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2kck h LEU 28 Cb 0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2kck h LEU 28 CO -0.14 0.83 0.13 -0.26 -0.00 0.00 0.00 178.44 179.00 2kck h PHE 29 N 0.23 0.24 -0.96 1.13 0.04 -0.42 -2.06 116.94 115.14 2kck h PHE 29 Ca 0.05 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.93 2kck h PHE 29 Cb 0.63 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.63 2kck h PHE 29 CO 0.06 0.14 0.61 0.93 -0.60 0.00 0.00 178.31 179.46 2kck h GLU 30 N 0.27 0.98 -0.66 1.51 4.39 -0.55 -1.18 114.58 119.34 2kck h GLU 30 Ca 0.09 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2kck h GLU 30 Cb 0.00 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.39 2kck h GLU 30 CO -0.05 0.65 0.41 0.87 -1.16 0.00 0.00 179.01 179.73 2kck h LYS 31 N 1.00 0.78 -0.63 2.33 1.57 -0.91 -1.77 116.57 118.95 2kck h LYS 31 Ca 0.44 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 2kck h LYS 31 Cb 0.36 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2kck h LYS 31 CO -0.20 0.52 0.36 0.00 -0.57 0.00 0.00 179.45 179.56 2kck h ALA 32 N 1.29 0.83 -0.56 3.86 0.00 -0.80 -1.97 119.26 121.91 2kck h ALA 32 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kck h ALA 32 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kck h ALA 32 CO -0.11 0.06 0.35 0.82 0.00 0.00 0.00 179.25 180.37 2kck h ILE 33 N 0.69 1.16 -0.52 0.00 1.08 -1.09 0.15 117.51 118.98 2kck h ILE 33 Ca 0.27 -0.32 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2kck h ILE 33 Cb 0.12 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.18 2kck h ILE 33 CO -0.15 0.16 0.17 1.56 -0.69 0.00 0.00 178.15 179.20 2kck h GLN 34 N 0.75 0.34 -0.35 2.37 1.08 -0.63 0.16 115.11 118.82 2kck h GLN 34 Ca 0.20 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 2kck h GLN 34 Cb -0.05 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2kck h GLN 34 CO -0.04 0.22 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.82 2kck h LEU 35 N 0.35 0.76 -6.63 1.46 4.07 -0.98 -3.40 115.31 110.93 2kck h LEU 35 Ca 0.25 -0.41 -0.55 0.00 0.08 0.00 0.00 57.88 57.26 2kck h LEU 35 Cb 0.29 -0.21 -0.39 0.00 1.08 0.00 0.00 40.66 41.43 2kck h LEU 35 CO -0.27 1.00 -0.81 -1.81 -1.08 0.00 0.00 178.44 175.47 2kck s ASP 36 N -6.44 3.00 -0.83 -0.43 1.01 0.48 -4.99 116.67 108.46 2kck s ASP 36 Ca -0.12 -1.84 -0.05 0.00 0.71 0.00 0.00 52.55 51.24 2kck s ASP 36 Cb 0.10 -0.30 0.01 0.00 1.01 0.00 0.00 42.92 43.74 2kck s ASP 36 CO 0.82 -0.35 2.79 -0.81 0.21 0.00 0.00 175.17 177.84 2kck n PRO 37 N 4.46 3.27 -2.09 8.23 -0.04 0.49 -4.05 135.00 145.27 2kck n PRO 37 Ca 0.06 -2.52 -0.02 0.00 -0.04 0.00 0.00 63.50 60.98 2kck n PRO 37 Cb 0.39 -2.37 0.05 0.00 -0.04 0.00 0.00 33.50 31.53 2kck n PRO 37 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kck n GLU 38 N 1.75 0.88 -3.95 0.54 2.13 -1.26 -5.08 120.64 115.64 2kck n GLU 38 Ca 0.56 -1.66 -0.30 0.00 0.66 0.00 0.00 57.16 56.42 2kck n GLU 38 Cb 0.46 0.03 -0.16 0.00 0.27 0.00 0.00 31.44 32.04 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 -0.63 1.75 0.06 5.31 2.02 -1.26 -5.01 118.70 120.95 2kck s GLU 39 Ca 0.13 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 54.08 2kck s GLU 39 Cb 0.29 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 2kck s GLU 39 CO -0.08 -0.50 1.42 1.03 0.02 0.00 0.00 175.26 177.14 2kck h SER 40 N 7.99 0.43 -0.99 -0.19 0.87 -1.98 -2.47 113.55 117.22 2kck h SER 40 Ca -0.23 -0.42 0.23 0.00 -1.23 0.00 0.00 61.79 60.14 2kck h SER 40 Cb 1.09 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 62.84 2kck h SER 40 CO 0.44 0.76 0.63 0.11 -0.53 0.00 0.00 176.83 178.24 2kck h LYS 41 N 0.11 0.49 0.04 2.24 1.57 -1.99 1.47 116.57 120.51 2kck h LYS 41 Ca 0.04 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2kck h LYS 41 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2kck h LYS 41 CO 0.03 0.32 -1.04 1.88 -0.57 0.00 0.00 179.45 180.08 2kck h TYR 42 N 0.50 0.59 -0.01 -1.35 -1.99 -1.97 -3.19 116.97 109.55 2kck h TYR 42 Ca 0.56 -0.35 -0.21 0.00 2.00 0.00 0.00 58.73 60.73 2kck h TYR 42 Cb 1.25 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 2kck h TYR 42 CO -0.00 1.20 -0.88 -1.49 -0.00 0.00 0.00 178.16 176.98 2kck h TRP 43 N 0.19 0.49 -0.98 4.88 4.06 -0.06 -3.14 115.95 121.37 2kck h TRP 43 Ca -0.10 -0.26 0.04 0.00 2.06 0.00 0.00 58.89 60.63 2kck h TRP 43 Cb 1.70 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 29.74 2kck h TRP 43 CO 0.06 1.06 0.65 1.25 -3.56 0.00 0.00 178.44 177.90 2kck h LEU 44 N 0.19 1.07 -0.62 -4.49 6.46 0.18 -1.65 115.31 116.46 2kck h LEU 44 Ca -0.06 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.59 2kck h LEU 44 Cb 1.50 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 2kck h LEU 44 CO 0.15 0.74 0.00 -0.03 -0.62 0.00 0.00 178.44 178.67 2kck h MET 45 N 1.24 1.08 -0.48 1.25 4.05 -1.54 -2.97 114.93 117.57 2kck h MET 45 Ca 0.39 -0.34 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 2kck h MET 45 Cb 0.00 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 2kck h MET 45 CO -0.12 1.05 0.20 0.87 0.23 0.00 0.00 176.91 179.14 2kck h LYS 46 N 0.99 0.38 -0.42 0.39 1.57 -1.27 -1.12 116.57 117.10 2kck h LYS 46 Ca 0.17 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2kck h LYS 46 Cb 0.56 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2kck h LYS 46 CO 0.03 0.25 0.10 0.78 -0.57 0.00 0.00 179.45 180.05 2kck h GLY 47 N 0.40 0.51 1.65 3.86 0.00 -1.29 -0.35 103.07 107.84 2kck h GLY 47 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2kck h GLY 47 CO -0.20 -0.02 0.15 0.50 0.00 0.00 0.00 176.54 176.97 2kck h LYS 48 N 0.24 0.46 0.00 4.80 1.57 -1.28 0.97 116.57 123.33 2kck h LYS 48 Ca 0.20 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kck h LYS 48 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2kck h LYS 48 CO -0.24 0.36 -0.00 0.00 -0.57 0.00 0.00 179.45 179.00 2kck h ALA 49 N 1.71 -0.00 -0.71 3.86 0.00 0.10 -1.74 119.26 122.49 2kck h ALA 49 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2kck h ALA 49 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2kck h ALA 49 CO -0.02 -0.31 0.19 -0.07 0.00 0.00 0.00 179.25 179.04 2kck h LEU 50 N -0.38 1.06 0.10 0.00 3.38 -0.84 -2.02 115.31 116.61 2kck h LEU 50 Ca -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kck h LEU 50 Cb 0.38 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kck h LEU 50 CO 0.00 1.01 -0.06 0.22 0.09 0.00 0.00 178.44 179.70 2kck h TYR 51 N 1.06 -0.16 0.00 1.13 3.20 -0.79 -1.31 116.97 120.11 2kck h TYR 51 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2kck h TYR 51 Cb 0.36 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 2kck h TYR 51 CO 0.03 -0.10 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.43 2kck h ASN 52 N -0.16 0.00 0.00 -2.11 -1.24 -1.20 -0.84 115.58 110.03 2kck h ASN 52 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kck h ASN 52 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2kck h ASN 52 CO 0.01 0.06 0.00 0.18 -1.29 0.00 0.00 177.43 176.39 2kck n LEU 53 N -3.71 0.38 0.00 0.34 4.77 -0.66 -4.78 117.00 113.34 2kck n LEU 53 Ca -0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2kck n LEU 53 Cb 0.16 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2kck n LEU 53 CO 0.28 0.10 0.00 1.21 -1.33 0.00 0.00 177.39 177.65 2kck n GLU 54 N -0.26 -0.54 -2.40 3.23 4.07 -0.32 -4.91 120.64 119.51 2kck n GLU 54 Ca 0.00 0.13 -0.42 0.00 -0.06 0.00 0.00 57.16 56.82 2kck n GLU 54 Cb 0.10 -3.59 0.01 0.00 -0.06 0.00 0.00 31.44 27.89 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kck n ARG 55 N -1.67 4.39 -0.35 5.31 5.12 -0.59 -4.75 116.66 124.12 2kck n ARG 55 Ca 0.00 -3.88 0.02 0.00 -1.93 0.00 0.00 57.85 52.06 2kck n ARG 55 Cb 0.13 -2.68 0.17 0.00 -1.16 0.00 0.00 32.46 28.92 2kck n ARG 55 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2kck h TYR 56 N 5.07 1.13 0.09 -1.55 0.05 -1.78 0.36 116.97 120.34 2kck h TYR 56 Ca 0.48 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.29 2kck h TYR 56 Cb 0.47 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2kck h TYR 56 CO 1.34 0.57 -0.04 1.05 -1.05 0.00 0.00 178.16 180.03 2kck h GLU 57 N 1.10 -0.11 -0.64 4.88 4.11 -1.94 -1.51 114.58 120.47 2kck h GLU 57 Ca 0.42 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.86 2kck h GLU 57 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2kck h GLU 57 CO -0.18 0.25 0.42 1.49 0.07 0.00 0.00 179.01 181.07 2kck h GLU 58 N -0.49 0.84 -0.62 1.06 4.81 -1.83 -1.83 114.58 116.51 2kck h GLU 58 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kck h GLU 58 Cb 0.41 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2kck h GLU 58 CO 0.02 0.55 0.40 0.00 -0.73 0.00 0.00 179.01 179.26 2kck h ALA 59 N 1.24 0.79 -0.81 2.92 0.00 -0.29 -2.08 119.26 121.03 2kck h ALA 59 Ca 0.23 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2kck h ALA 59 Cb -0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 2kck h ALA 59 CO -0.05 0.24 0.51 0.28 0.00 0.00 0.00 179.25 180.22 2kck h VAL 60 N 0.84 1.09 -0.48 0.00 2.07 -0.74 -0.97 116.25 118.07 2kck h VAL 60 Ca 0.23 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2kck h VAL 60 Cb -0.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 2kck h VAL 60 CO -0.05 0.18 0.27 0.44 0.02 0.00 0.00 177.57 178.43 2kck h ASP 61 N 0.97 0.58 0.14 0.57 3.32 -0.69 -1.20 116.42 120.11 2kck h ASP 61 Ca 0.33 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2kck h ASP 61 Cb 0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2kck h ASP 61 CO -0.13 0.47 -0.06 0.00 -1.72 0.00 0.00 179.24 177.79 2kck h TYR 63 N -0.68 0.97 -0.29 0.00 0.05 -0.97 0.20 116.97 116.26 2kck h TYR 63 Ca -0.02 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2kck h TYR 63 Cb 0.50 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2kck h TYR 63 CO 0.07 0.31 0.07 -0.97 -1.05 0.00 0.00 178.16 176.60 2kck h ASN 64 N 0.81 0.37 -0.69 3.88 -1.24 -1.21 -2.12 115.58 115.37 2kck h ASN 64 Ca 0.49 -0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.52 2kck h ASN 64 Cb 0.59 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.49 2kck h ASN 64 CO -0.31 0.37 0.39 0.22 -1.29 0.00 0.00 177.43 176.81 2kck h TYR 65 N 0.40 0.71 -0.25 0.67 5.03 -0.20 1.57 116.97 124.92 2kck h TYR 65 Ca 0.10 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 2kck h TYR 65 Cb 0.15 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 2kck h TYR 65 CO 0.00 0.34 -0.20 0.28 -1.32 0.00 0.00 178.16 177.26 2kck h VAL 66 N 0.71 1.31 0.00 1.81 2.07 -1.25 0.40 116.25 121.30 2kck h VAL 66 Ca 0.31 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 2kck h VAL 66 Cb 0.20 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2kck h VAL 66 CO -0.19 0.42 -0.32 0.40 0.02 0.00 0.00 177.57 177.89 2kck h ILE 67 N 0.28 0.77 0.00 4.57 2.04 -0.88 -1.71 117.51 122.58 2kck h ILE 67 Ca 0.04 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2kck h ILE 67 Cb 0.74 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2kck h ILE 67 CO 0.05 0.32 0.00 -3.20 0.00 0.00 0.00 178.15 175.32 2kck n ASN 68 N -3.49 0.00 -0.24 1.72 2.85 0.53 -4.38 115.26 112.25 2kck n ASN 68 Ca -0.00 0.30 0.04 0.00 -0.11 0.00 0.00 54.58 54.81 2kck n ASN 68 Cb 0.48 -0.49 0.17 0.00 1.24 0.00 0.00 39.78 41.19 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 0.62 -3.57 3.44 2.07 -0.35 -3.37 116.25 115.10 2kck h VAL 69 Ca 0.00 -0.13 -0.65 0.00 0.82 0.00 0.00 66.70 66.74 2kck h VAL 69 Cb 0.00 0.22 -0.23 0.00 -1.52 0.00 0.00 31.29 29.76 2kck h VAL 69 CO 0.00 0.07 -0.64 -0.63 0.02 0.00 0.00 177.57 176.38 2kck s ILE 70 N -6.04 4.13 -1.13 4.57 1.01 -0.64 -4.96 121.20 118.14 2kck s ILE 70 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2kck s ILE 70 Cb 0.20 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2kck s ILE 70 CO 0.76 0.37 0.42 -0.62 0.00 0.00 0.00 174.94 175.86 2kck n GLU 71 N 4.80 0.74 -0.33 2.79 -0.58 -1.26 -4.00 120.64 122.80 2kck n GLU 71 Ca -0.17 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.56 2kck n GLU 71 Cb 0.51 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 30.05 2kck n GLU 71 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kck n ASP 72 N 0.05 3.06 -3.83 1.62 2.03 -1.26 -4.75 116.55 113.46 2kck n ASP 72 Ca 0.00 -1.84 -0.36 0.00 0.52 0.00 0.00 54.79 53.10 2kck n ASP 72 Cb 0.16 -0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 2kck n ASP 72 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kck n GLU 73 N 1.86 0.21 -1.36 -0.67 2.13 -1.26 -3.61 120.64 117.94 2kck n GLU 73 Ca 0.04 -1.31 -0.03 0.00 0.66 0.00 0.00 57.16 56.51 2kck n GLU 73 Cb 0.32 -2.96 0.01 0.00 0.27 0.00 0.00 31.44 29.07 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 11.97 -0.50 -3.70 4.31 9.36 -1.26 -5.10 117.16 132.24 2kck n TYR 74 Ca 0.46 -0.59 -0.39 0.00 3.32 0.00 0.00 57.90 60.70 2kck n TYR 74 Cb 0.43 0.70 -0.12 0.00 -0.63 0.00 0.00 39.34 39.73 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 -0.63 5.45 0.28 2.98 -0.87 -1.24 -4.96 114.94 115.95 2kck s ASN 75 Ca 0.02 -1.23 -0.01 0.00 -1.57 0.00 0.00 52.86 50.07 2kck s ASN 75 Cb 0.11 -1.92 0.40 0.00 -0.02 0.00 0.00 41.25 39.82 2kck s ASN 75 CO -0.03 -0.39 1.80 0.07 -2.57 0.00 0.00 177.10 175.98 2kck h LYS 76 N 8.29 0.76 -0.55 -0.60 2.10 -1.96 -2.15 116.57 122.45 2kck h LYS 76 Ca -0.23 -0.18 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 2kck h LYS 76 Cb 1.08 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.29 2kck h LYS 76 CO 0.65 0.74 0.25 0.22 -2.00 0.00 0.00 179.45 179.31 2kck h ASP 77 N 0.72 0.74 -0.23 7.07 1.82 -1.97 -0.08 116.42 124.50 2kck h ASP 77 Ca 0.15 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kck h ASP 77 Cb 0.38 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2kck h ASP 77 CO 0.01 0.68 0.04 0.58 -1.61 0.00 0.00 179.24 178.95 2kck h VAL 78 N 0.75 1.22 -0.47 2.25 2.07 -1.92 -1.08 116.25 119.07 2kck h VAL 78 Ca 0.19 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2kck h VAL 78 Cb 0.15 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2kck h VAL 78 CO -0.02 0.23 0.29 -0.50 0.02 0.00 0.00 177.57 177.59 2kck h TRP 79 N 0.18 0.62 -0.61 1.57 6.55 -1.23 -0.19 115.95 122.83 2kck h TRP 79 Ca 0.07 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 2kck h TRP 79 Cb 0.30 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.37 2kck h TRP 79 CO 0.02 0.42 0.37 0.00 -1.05 0.00 0.00 178.44 178.19 2kck h ALA 80 N 1.14 0.78 -0.32 1.49 0.00 -0.91 -0.42 119.26 121.03 2kck h ALA 80 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kck h ALA 80 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kck h ALA 80 CO -0.03 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.63 2kck h ALA 81 N 1.18 0.41 -0.73 0.00 0.00 -0.79 -2.80 119.26 116.52 2kck h ALA 81 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kck h ALA 81 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2kck h ALA 81 CO -0.04 -0.02 0.42 -0.22 0.00 0.00 0.00 179.25 179.39 2kck h LYS 82 N 0.37 1.01 -0.50 0.00 3.64 -0.78 -2.67 116.57 117.65 2kck h LYS 82 Ca 0.11 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2kck h LYS 82 Cb 0.14 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 31.67 2kck h LYS 82 CO -0.01 0.74 -0.01 0.00 -2.27 0.00 0.00 179.45 177.90 2kck h ALA 83 N 1.22 0.46 -0.89 5.00 0.00 -0.83 0.79 119.26 125.02 2kck h ALA 83 Ca 0.26 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.42 2kck h ALA 83 Cb 0.01 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2kck h ALA 83 CO -0.04 -0.39 0.53 -0.44 0.00 0.00 0.00 179.25 178.90 2kck h ASP 84 N 0.11 0.76 -0.57 0.00 5.19 -1.24 0.21 116.42 120.88 2kck h ASP 84 Ca 0.25 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.63 2kck h ASP 84 Cb 0.38 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2kck h ASP 84 CO -0.42 0.43 0.08 0.00 -3.12 0.00 0.00 179.24 176.20 2kck h ALA 85 N 1.48 0.76 -0.57 3.45 0.00 -0.78 -2.97 119.26 120.62 2kck h ALA 85 Ca 0.43 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kck h ALA 85 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kck h ALA 85 CO -0.25 0.52 0.05 -0.07 0.00 0.00 0.00 179.25 179.50 2kck h LEU 86 N 0.85 0.95 0.00 0.00 3.38 0.30 -2.17 115.31 118.63 2kck h LEU 86 Ca 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kck h LEU 86 Cb 0.44 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kck h LEU 86 CO 0.01 1.00 0.06 0.54 0.09 0.00 0.00 178.44 180.14 2kck n ARG 87 N -4.28 0.00 -2.93 1.13 1.74 0.61 -1.80 116.66 111.13 2kck n ARG 87 Ca 0.02 0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2kck n ARG 87 Cb 0.30 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2kck n ARG 87 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2kck n TYR 88 N -1.17 0.05 -4.66 -1.55 4.01 -0.82 -5.08 117.16 107.95 2kck n TYR 88 Ca 0.00 -3.19 -0.22 0.00 -0.16 0.00 0.00 57.90 54.33 2kck n TYR 88 Cb 0.06 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.24 1.12 0.44 -0.72 2.07 -0.74 -4.86 121.20 116.26 2kck s ILE 89 Ca 0.33 -0.60 -0.25 0.00 -1.41 0.00 0.00 60.65 58.71 2kck s ILE 89 Cb 0.39 -0.93 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 2kck s ILE 89 CO -0.04 0.32 1.40 -1.84 -1.91 0.00 0.00 174.94 172.87 2kck n GLU 90 N 2.75 2.19 -2.09 3.50 0.28 -1.26 -3.75 120.64 122.25 2kck n GLU 90 Ca -0.14 0.78 -0.04 0.00 -0.16 0.00 0.00 57.16 57.59 2kck n GLU 90 Cb 0.55 -2.57 0.02 0.00 1.43 0.00 0.00 31.44 30.87 2kck n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kck n GLY 91 N 0.63 0.07 3.56 -1.84 0.00 -1.26 -4.94 105.19 101.40 2kck n GLY 91 Ca 0.05 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.40 3.22 -0.81 1.61 1.02 -1.25 -4.91 119.74 115.21 2kck s LYS 92 Ca 0.13 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.15 2kck s LYS 92 Cb -0.02 -4.16 0.26 0.00 -0.52 0.00 0.00 37.83 33.39 2kck s LYS 92 CO 0.26 -2.09 0.95 0.39 -0.92 0.00 0.00 175.35 173.94 2kck n GLU 93 N 9.10 3.07 -0.64 1.68 -0.58 -1.26 -4.77 120.64 127.24 2kck n GLU 93 Ca 0.07 -4.60 0.00 0.00 -0.42 0.00 0.00 57.16 52.21 2kck n GLU 93 Cb 0.49 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 2kck n GLU 93 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2kck n VAL 94 N 1.29 0.00 -0.04 2.62 0.31 -1.26 -4.76 118.33 116.49 2kck n VAL 94 Ca 0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 2kck n VAL 94 Cb 0.38 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 2kck n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2kck h GLU 95 N 0.00 0.21 -0.85 5.55 5.08 -1.92 -1.61 114.58 121.05 2kck h GLU 95 Ca 0.00 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2kck h GLU 95 Cb 0.53 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2kck h GLU 95 CO 0.00 0.47 0.51 0.00 -1.00 0.00 0.00 179.01 179.00 2kck h ALA 96 N 0.73 1.18 -0.18 3.43 0.00 -1.86 0.66 119.26 123.22 2kck h ALA 96 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kck h ALA 96 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kck h ALA 96 CO 0.01 0.22 0.03 0.93 0.00 0.00 0.00 179.25 180.43 2kck h GLU 97 N 0.91 0.31 -0.64 0.00 4.39 -1.92 0.47 114.58 118.10 2kck h GLU 97 Ca 0.38 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.01 2kck h GLU 97 Cb 0.24 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2kck h GLU 97 CO -0.20 0.47 0.42 0.82 -1.16 0.00 0.00 179.01 179.37 2kck h ILE 98 N 0.10 1.16 -0.15 3.13 2.04 -0.74 0.71 117.51 123.76 2kck h ILE 98 Ca 0.06 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2kck h ILE 98 Cb 0.32 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2kck h ILE 98 CO 0.00 0.16 0.02 0.00 0.00 0.00 0.00 178.15 178.33 2kck h ALA 99 N 1.24 0.20 -0.30 1.87 0.00 -0.77 0.55 119.26 122.04 2kck h ALA 99 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2kck h ALA 99 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2kck h ALA 99 CO -0.06 -0.14 0.14 1.49 0.00 0.00 0.00 179.25 180.68 2kck h GLU 100 N 0.02 0.28 -0.33 0.00 4.22 -0.63 0.66 114.58 118.81 2kck h GLU 100 Ca 0.04 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.35 2kck h GLU 100 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kck h GLU 100 CO 0.00 0.19 -0.25 0.00 -2.18 0.00 0.00 179.01 176.77 2kck h ALA 101 N 1.17 0.47 -0.63 2.92 0.00 -0.78 -0.79 119.26 121.61 2kck h ALA 101 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2kck h ALA 101 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kck h ALA 101 CO -0.10 0.46 0.17 -0.09 0.00 0.00 0.00 179.25 179.68 2kck h ARG 102 N 0.51 1.00 -0.30 0.00 2.43 0.41 0.17 114.38 118.60 2kck h ARG 102 Ca 0.06 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 2kck h ARG 102 Cb 0.81 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2kck h ARG 102 CO 0.07 0.90 -0.23 0.00 -1.51 0.00 0.00 179.97 179.20 2kck h ALA 103 N 1.06 0.44 -0.37 2.80 0.00 0.37 -3.21 119.26 120.34 2kck h ALA 103 Ca 0.20 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2kck h ALA 103 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kck h ALA 103 CO -0.00 0.40 -0.04 -0.22 0.00 0.00 0.00 179.25 179.39 2kck h LYS 104 N 0.44 0.68 -5.87 0.00 3.64 -1.01 -3.40 116.57 111.05 2kck h LYS 104 Ca 0.06 -0.24 -0.47 0.00 -1.27 0.00 0.00 60.65 58.73 2kck h LYS 104 Cb 0.79 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2kck h LYS 104 CO 0.06 0.81 1.38 -1.17 -2.27 0.00 0.00 179.45 178.25 2kck s LEU 105 N -9.36 3.31 0.12 5.20 2.96 0.57 -4.81 118.68 116.68 2kck s LEU 105 Ca -0.13 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 2kck s LEU 105 Cb 0.10 -2.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.17 2kck s LEU 105 CO 0.79 -2.54 1.38 -0.08 -1.32 0.00 0.00 176.35 174.58 2kck h GLU 106 N 15.90 0.83 -2.47 1.98 4.57 -1.82 -3.47 114.58 130.10 2kck h GLU 106 Ca -0.24 -0.57 0.12 0.00 -1.18 0.00 0.00 59.36 57.49 2kck h GLU 106 Cb 1.18 0.09 -0.11 0.00 -0.16 0.00 0.00 28.75 29.75 2kck h GLU 106 CO 1.20 1.20 0.43 -1.58 -1.18 0.00 0.00 179.01 179.08 2kck s HIS 107 N -4.00 -0.27 -0.18 0.92 2.46 -1.26 -5.17 115.29 107.80 2kck s HIS 107 Ca -0.10 0.03 -0.07 0.00 0.47 0.00 0.00 55.06 55.39 2kck s HIS 107 Cb 0.10 0.60 0.08 0.00 -0.13 0.00 0.00 32.58 33.23 2kck s HIS 107 CO 0.89 -0.77 0.38 -3.38 -2.47 0.00 0.00 174.74 169.40 2kck s HIS 108 N -3.35 -0.69 0.15 3.88 -3.43 -1.26 -5.03 115.29 105.56 2kck s HIS 108 Ca 0.08 1.37 -0.11 0.00 -0.80 0.00 0.00 55.06 55.60 2kck s HIS 108 Cb -0.02 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 2kck s HIS 108 CO -0.04 -0.43 1.55 0.45 -2.00 0.00 0.00 174.74 174.28 2kck h HIS 109 N 8.04 1.07 -0.11 0.38 3.86 -2.06 -3.39 115.15 122.95 2kck h HIS 109 Ca -0.19 -0.24 -0.22 0.00 -1.16 0.00 0.00 60.37 58.56 2kck h HIS 109 Cb 1.12 -0.26 -0.18 0.00 1.06 0.00 0.00 27.41 29.15 2kck h HIS 109 CO 0.30 1.04 -0.44 1.58 0.86 0.00 0.00 177.93 181.27 2kck n HIS 110 N -4.19 -1.91 -1.00 2.45 -0.00 -1.26 -5.15 115.22 104.16 2kck n HIS 110 Ca 0.00 -1.96 0.09 0.00 -0.00 0.00 0.00 57.72 55.85 2kck n HIS 110 Cb 0.41 1.35 -0.02 0.00 -0.00 0.00 0.00 29.99 31.73 2kck n HIS 110 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kck n HIS 111 N -0.80 -2.66 -1.00 1.57 -0.00 -1.26 -5.33 115.22 105.75 2kck n HIS 111 Ca -0.05 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.46 2kck n HIS 111 Cb 0.85 -1.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.39 2kck n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92