#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 1.20 -6.22 1.12 2.07 -2.12 -3.47 116.25 108.82 2kck h VAL 2 Ca 0.00 -0.62 -0.30 0.00 0.82 0.00 0.00 66.70 66.60 2kck h VAL 2 Cb 0.00 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2kck h VAL 2 CO 0.00 0.21 -0.85 -0.67 0.02 0.00 0.00 177.57 176.28 2kck n ASP 3 N -4.69 -6.05 0.00 0.57 2.03 -1.26 -4.93 116.55 102.23 2kck n ASP 3 Ca -0.02 -0.32 0.00 0.00 0.52 0.00 0.00 54.79 54.97 2kck n ASP 3 Cb 0.15 -2.87 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 2kck n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kck n GLN 4 N -1.35 0.00 -2.60 -0.67 6.02 -1.26 -4.96 117.38 112.56 2kck n GLN 4 Ca -0.12 0.07 -0.02 0.00 -0.01 0.00 0.00 57.00 56.92 2kck n GLN 4 Cb 0.62 -0.67 -0.02 0.00 1.02 0.00 0.00 30.24 31.20 2kck n GLN 4 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kck n ASN 5 N -0.24 -4.16 -2.97 1.08 5.03 -1.26 -4.95 115.26 107.78 2kck n ASN 5 Ca 0.00 1.29 0.00 0.00 0.87 0.00 0.00 54.58 56.74 2kck n ASN 5 Cb 0.00 -3.62 0.00 0.00 -1.02 0.00 0.00 39.78 35.14 2kck n ASN 5 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2kck n PRO 6 N 2.03 1.94 0.00 3.52 -0.02 -1.26 -4.40 135.00 136.82 2kck n PRO 6 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2kck n PRO 6 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.73 2kck n PRO 6 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2kck n GLU 7 N 0.00 0.00 0.14 -0.52 2.13 -1.26 -4.67 120.64 116.46 2kck n GLU 7 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2kck n GLU 7 Cb 0.00 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.87 2kck n GLU 7 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2kck h GLU 8 N 0.00 0.00 0.00 5.31 3.07 -1.93 -2.98 114.58 118.05 2kck h GLU 8 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kck h GLU 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2kck h GLU 8 CO 0.00 0.61 0.11 1.88 -1.40 0.00 0.00 179.01 180.21 2kck h TYR 9 N 0.00 0.00 0.00 4.33 -1.99 -1.89 -2.21 116.97 115.21 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 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 2kck h TYR 9 CO 0.00 0.00 0.39 0.10 -0.00 0.00 0.00 178.16 178.65 2kck h TYR 10 N 0.00 0.00 -0.03 4.88 -0.00 -1.92 -1.26 116.97 118.64 2kck h TYR 10 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2kck h TYR 10 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.94 2kck h TYR 10 CO 0.00 0.00 0.56 1.37 -0.00 0.00 0.00 178.16 180.09 2kck h LEU 11 N 0.00 0.00 0.38 0.10 8.10 -1.68 0.33 115.31 122.54 2kck h LEU 11 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2kck h LEU 11 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2kck h LEU 11 CO 0.00 0.00 -0.18 -0.08 -4.11 0.00 0.00 178.44 174.07 2kck h GLU 12 N 0.00 -0.49 -1.43 0.17 4.22 -1.52 -2.31 114.58 113.22 2kck h GLU 12 Ca 0.01 0.03 0.43 0.00 0.08 0.00 0.00 59.36 59.92 2kck h GLU 12 Cb 1.14 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2kck h GLU 12 CO -0.00 -0.30 1.01 0.41 -2.18 0.00 0.00 179.01 177.94 2kck n GLY 13 N -1.19 -0.74 0.11 1.92 0.00 0.10 0.14 105.19 105.53 2kck n GLY 13 Ca -0.11 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.89 -0.19 1.61 2.07 -1.56 -2.80 116.25 116.26 2kck h VAL 14 Ca 0.72 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2kck h VAL 14 Cb 2.77 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 34.06 2kck h VAL 14 CO -0.10 0.25 -0.14 -0.07 0.02 0.00 0.00 177.57 177.53 2kck h LEU 15 N -0.89 -0.51 -0.39 2.57 3.38 0.12 0.89 115.31 120.47 2kck h LEU 15 Ca -0.02 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2kck h LEU 15 Cb 0.53 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 2kck h LEU 15 CO 0.03 -0.07 -0.22 0.06 0.09 0.00 0.00 178.44 178.32 2kck h GLN 16 N -0.04 -0.15 0.16 1.13 3.07 -1.30 0.67 115.11 118.65 2kck h GLN 16 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 2kck h GLN 16 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 2kck h GLN 16 CO -0.20 -0.10 -0.23 1.88 0.09 0.00 0.00 178.83 180.26 2kck h TYR 17 N -0.16 -0.66 0.00 0.06 -1.99 -0.81 -3.29 116.97 110.12 2kck h TYR 17 Ca 0.19 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.93 2kck h TYR 17 Cb 0.45 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.45 2kck h TYR 17 CO -0.45 -0.29 0.00 -3.47 -0.00 0.00 0.00 178.16 173.94 2kck n ASP 18 N -3.77 0.00 0.00 3.88 2.03 0.29 -4.86 116.55 114.13 2kck n ASP 18 Ca -0.05 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.23 2kck n ASP 18 Cb 0.20 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kck n ALA 19 N -2.06 0.00 -1.47 -1.67 0.00 0.23 -5.07 120.51 110.47 2kck n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kck n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.89 3.65 0.00 0.00 -1.14 -4.46 105.19 109.13 2kck n GLY 20 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.06 0.16 1.61 5.03 -1.26 -2.38 115.26 113.37 2kck n ASN 21 Ca 0.00 -0.61 -0.14 0.00 0.87 0.00 0.00 54.58 54.70 2kck n ASN 21 Cb 0.00 -4.05 -0.08 0.00 -1.02 0.00 0.00 39.78 34.62 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 2kck h TYR 22 N -1.88 -0.38 -0.35 3.10 0.05 -1.96 0.50 116.97 116.06 2kck h TYR 22 Ca -0.55 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.16 2kck h TYR 22 Cb 1.36 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.21 2kck h TYR 22 CO 0.57 -0.09 -0.02 1.15 -1.05 0.00 0.00 178.16 178.72 2kck h THR 23 N -0.65 1.26 -0.50 -2.88 2.02 -1.99 -3.10 112.91 107.07 2kck h THR 23 Ca -0.04 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 2kck h THR 23 Cb 0.46 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2kck h THR 23 CO 0.07 0.34 0.19 -0.08 0.37 0.00 0.00 175.52 176.40 2kck h GLU 24 N 0.44 0.76 -0.34 6.66 4.81 -1.94 -2.10 114.58 122.87 2kck h GLU 24 Ca 0.10 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2kck h GLU 24 Cb 0.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2kck h GLU 24 CO 0.02 0.69 0.42 0.77 -0.73 0.00 0.00 179.01 180.18 2kck h SER 25 N 0.67 0.00 -1.23 1.04 0.02 0.08 -0.96 113.55 113.18 2kck h SER 25 Ca 0.17 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 61.47 2kck h SER 25 Cb 0.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 2kck h SER 25 CO -0.01 0.00 0.98 0.40 -1.14 0.00 0.00 176.83 177.06 2kck h ILE 26 N 0.00 0.26 -0.08 3.27 2.04 -1.33 0.46 117.51 122.13 2kck h ILE 26 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2kck h ILE 26 Cb 1.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2kck h ILE 26 CO -0.00 0.00 -0.04 -2.24 0.00 0.00 0.00 178.15 175.87 2kck h ASP 27 N 0.00 0.16 0.08 1.72 2.03 -1.38 -0.41 116.42 118.62 2kck h ASP 27 Ca 0.59 -0.41 0.02 0.00 -0.73 0.00 0.00 57.03 56.50 2kck h ASP 27 Cb 2.54 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 40.95 2kck h ASP 27 CO -0.01 0.54 -0.28 -0.07 -1.03 0.00 0.00 179.24 178.39 2kck h LEU 28 N -0.21 -0.82 -0.46 0.15 -0.00 -0.28 0.56 115.31 114.25 2kck h LEU 28 Ca 0.02 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2kck h LEU 28 Cb 0.48 0.32 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2kck h LEU 28 CO 0.01 -0.36 0.30 -0.26 -0.00 0.00 0.00 178.44 178.13 2kck h PHE 29 N -0.47 0.58 -0.93 1.13 0.04 -1.53 -1.34 116.94 114.41 2kck h PHE 29 Ca 0.04 0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.98 2kck h PHE 29 Cb 0.52 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.40 2kck h PHE 29 CO -0.27 0.36 0.59 0.93 -0.60 0.00 0.00 178.31 179.32 2kck h GLU 30 N 0.62 0.72 -0.19 1.51 4.39 -0.47 0.45 114.58 121.61 2kck h GLU 30 Ca 0.17 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2kck h GLU 30 Cb -0.06 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2kck h GLU 30 CO -0.04 0.47 -0.27 0.87 -1.16 0.00 0.00 179.01 178.88 2kck h LYS 31 N 0.74 0.51 0.14 2.33 1.57 -0.09 -1.74 116.57 120.02 2kck h LYS 31 Ca 0.48 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2kck h LYS 31 Cb 0.74 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2kck h LYS 31 CO -0.24 0.90 -0.06 0.00 -0.57 0.00 0.00 179.45 179.47 2kck h ALA 32 N 0.61 -0.18 -0.39 3.86 0.00 -0.17 -2.13 119.26 120.86 2kck h ALA 32 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kck h ALA 32 Cb 0.84 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2kck h ALA 32 CO 0.06 -0.47 0.27 0.82 0.00 0.00 0.00 179.25 179.93 2kck h ILE 33 N -0.45 0.93 -0.11 0.00 2.04 -0.23 -0.05 117.51 119.65 2kck h ILE 33 Ca -0.02 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 2kck h ILE 33 Cb 0.36 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2kck h ILE 33 CO 0.03 0.04 -0.44 -0.61 0.00 0.00 0.00 178.15 177.17 2kck h GLN 34 N 0.25 0.26 -0.22 2.37 4.15 -1.04 -1.80 115.11 119.07 2kck h GLN 34 Ca 0.17 -0.13 -0.19 0.00 0.77 0.00 0.00 58.65 59.27 2kck h GLN 34 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2kck h GLN 34 CO -0.03 0.66 -0.61 -0.07 -1.93 0.00 0.00 178.83 176.84 2kck h LEU 35 N 0.21 0.84 -5.95 -2.39 3.38 -0.36 -3.43 115.31 107.61 2kck h LEU 35 Ca 0.02 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2kck h LEU 35 Cb 0.87 -0.24 -0.20 0.00 0.09 0.00 0.00 40.66 41.18 2kck h LEU 35 CO 0.07 1.25 -0.33 -0.62 0.09 0.00 0.00 178.44 178.90 2kck s ASP 36 N -6.98 -1.36 -0.94 -0.43 2.15 -0.76 -5.05 116.67 103.30 2kck s ASP 36 Ca -0.09 -0.10 -0.08 0.00 0.43 0.00 0.00 52.55 52.71 2kck s ASP 36 Cb 0.10 1.81 -0.11 0.00 -0.30 0.00 0.00 42.92 44.42 2kck s ASP 36 CO 0.88 -0.22 3.11 -0.81 -0.17 0.00 0.00 175.17 177.96 2kck n PRO 37 N 5.02 3.12 0.00 4.34 -0.04 -0.69 -3.67 135.00 143.08 2kck n PRO 37 Ca 0.07 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2kck n PRO 37 Cb 0.56 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.78 3.22 -2.59 0.54 2.13 -1.26 -4.98 120.64 120.48 2kck n GLU 38 Ca 0.62 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 58.03 2kck n GLU 38 Cb 0.49 -0.45 -0.03 0.00 0.27 0.00 0.00 31.44 31.72 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 -0.66 3.46 0.33 5.31 2.56 -1.24 -4.85 118.70 123.61 2kck s GLU 39 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 54.97 54.14 2kck s GLU 39 Cb 0.00 -4.95 0.74 0.00 2.00 0.00 0.00 34.13 31.93 2kck s GLU 39 CO 0.00 -2.15 1.84 0.77 -0.56 0.00 0.00 175.26 175.16 2kck h SER 40 N 9.79 0.75 -0.96 -1.70 0.02 -1.94 0.39 113.55 119.89 2kck h SER 40 Ca 0.04 0.05 0.25 0.00 -0.84 0.00 0.00 61.79 61.29 2kck h SER 40 Cb 1.02 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 2kck h SER 40 CO 1.36 0.36 0.65 0.50 -1.14 0.00 0.00 176.83 178.55 2kck h LYS 41 N 0.78 0.24 0.12 3.45 3.64 -1.99 0.80 116.57 123.60 2kck h LYS 41 Ca 0.49 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.57 2kck h LYS 41 Cb 0.72 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2kck h LYS 41 CO -0.26 0.16 -1.23 1.88 -2.27 0.00 0.00 179.45 177.73 2kck h TYR 42 N 0.25 0.88 -0.17 1.91 -1.99 -1.33 -3.22 116.97 113.31 2kck h TYR 42 Ca 0.50 -0.57 -0.17 0.00 2.00 0.00 0.00 58.73 60.49 2kck h TYR 42 Cb 1.51 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.17 2kck h TYR 42 CO -0.00 1.41 -0.60 -1.49 -0.00 0.00 0.00 178.16 177.48 2kck h TRP 43 N 0.23 0.71 -0.96 4.88 4.06 -0.53 -3.08 115.95 121.26 2kck h TRP 43 Ca -0.17 -0.27 0.08 0.00 2.06 0.00 0.00 58.89 60.59 2kck h TRP 43 Cb 1.91 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 29.87 2kck h TRP 43 CO 0.10 1.02 0.61 1.25 -3.56 0.00 0.00 178.44 177.86 2kck h LEU 44 N 0.42 0.95 -0.71 -4.49 5.85 0.38 -1.25 115.31 116.46 2kck h LEU 44 Ca -0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2kck h LEU 44 Cb 1.16 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2kck h LEU 44 CO 0.11 0.57 0.31 0.24 -0.34 0.00 0.00 178.44 179.34 2kck h MET 45 N 1.06 1.04 -0.46 1.25 2.86 -1.54 -2.81 114.93 116.34 2kck h MET 45 Ca 0.44 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2kck h MET 45 Cb 0.26 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 2kck h MET 45 CO -0.20 0.84 -0.00 -0.22 1.06 0.00 0.00 176.91 178.39 2kck h LYS 46 N 1.00 0.11 -0.50 1.72 1.63 -1.20 -1.45 116.57 117.88 2kck h LYS 46 Ca 0.24 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.13 2kck h LYS 46 Cb 0.17 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.69 2kck h LYS 46 CO -0.02 0.07 -0.01 0.78 -3.45 0.00 0.00 179.45 176.82 2kck h GLY 47 N 0.11 0.51 1.04 5.01 0.00 -1.25 0.93 103.07 109.41 2kck h GLY 47 Ca 0.23 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.67 2kck h GLY 47 CO -0.38 -0.15 0.53 0.50 0.00 0.00 0.00 176.54 177.05 2kck h LYS 48 N 0.11 0.94 0.10 4.80 6.56 -1.25 0.68 116.57 128.52 2kck h LYS 48 Ca 0.25 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 2kck h LYS 48 Cb 0.38 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2kck h LYS 48 CO -0.43 0.62 -0.05 0.00 -2.06 0.00 0.00 179.45 177.53 2kck h ALA 49 N 1.54 -0.14 -0.75 3.86 0.00 -0.03 0.74 119.26 124.48 2kck h ALA 49 Ca 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2kck h ALA 49 Cb 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2kck h ALA 49 CO -0.10 -0.50 0.45 -0.07 0.00 0.00 0.00 179.25 179.03 2kck h LEU 50 N -0.31 0.90 -0.03 0.00 4.07 -0.77 -0.98 115.31 118.19 2kck h LEU 50 Ca -0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2kck h LEU 50 Cb 0.25 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2kck h LEU 50 CO 0.02 0.70 0.02 0.22 -1.08 0.00 0.00 178.44 178.32 2kck h TYR 51 N 1.02 0.05 -0.04 1.13 3.20 -0.71 0.28 116.97 121.90 2kck h TYR 51 Ca 0.27 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2kck h TYR 51 Cb -0.03 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2kck h TYR 51 CO -0.01 0.15 0.03 -0.91 -1.64 0.00 0.00 178.16 175.78 2kck h ASN 52 N -0.06 0.00 -0.02 -2.11 -0.26 -0.59 0.15 115.58 112.69 2kck h ASN 52 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2kck h ASN 52 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 2kck h ASN 52 CO -0.00 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.55 2kck n LEU 53 N -4.50 0.10 -0.64 1.61 4.32 -0.40 -4.83 117.00 112.65 2kck n LEU 53 Ca -0.02 -0.05 -0.07 0.00 -0.02 0.00 0.00 56.01 55.86 2kck n LEU 53 Cb 0.13 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 2kck n LEU 53 CO 0.34 0.02 -0.08 -0.62 -1.22 0.00 0.00 177.39 175.84 2kck n GLU 54 N -0.47 -0.50 -2.97 3.23 -0.58 0.52 -4.96 120.64 114.91 2kck n GLU 54 Ca 0.02 0.51 -0.36 0.00 -0.42 0.00 0.00 57.16 56.91 2kck n GLU 54 Cb 0.02 -4.34 -0.02 0.00 -0.57 0.00 0.00 31.44 26.54 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2kck n ARG 55 N -2.17 4.12 -0.26 3.49 5.12 0.94 -4.82 116.66 123.08 2kck n ARG 55 Ca -0.07 -4.68 -0.01 0.00 -1.93 0.00 0.00 57.85 51.16 2kck n ARG 55 Cb 0.40 -2.39 0.19 0.00 -1.16 0.00 0.00 32.46 29.50 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 4.32 1.04 0.19 -1.55 0.05 -1.83 0.82 116.97 120.02 2kck h TYR 56 Ca 0.28 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 2kck h TYR 56 Cb 0.51 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2kck h TYR 56 CO 1.01 0.68 -0.09 0.93 -1.05 0.00 0.00 178.16 179.65 2kck h GLU 57 N 1.10 -0.24 -0.41 4.88 4.39 -1.92 -2.54 114.58 119.84 2kck h GLU 57 Ca 0.29 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.88 2kck h GLU 57 Cb -0.07 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2kck h GLU 57 CO -0.06 0.01 -0.26 0.93 -1.16 0.00 0.00 179.01 178.46 2kck h GLU 58 N -0.47 0.86 -0.98 2.33 3.07 -1.88 -2.94 114.58 114.55 2kck h GLU 58 Ca -0.03 -0.38 0.16 0.00 -0.50 0.00 0.00 59.36 58.61 2kck h GLU 58 Cb 0.36 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.16 2kck h GLU 58 CO 0.04 1.02 0.61 0.00 -1.40 0.00 0.00 179.01 179.28 2kck h ALA 59 N 0.96 1.68 -0.31 3.43 0.00 0.72 0.35 119.26 126.09 2kck h ALA 59 Ca 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kck h ALA 59 Cb 0.81 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2kck h ALA 59 CO 0.07 0.02 0.12 0.28 0.00 0.00 0.00 179.25 179.74 2kck h VAL 60 N 0.82 1.13 -0.90 0.00 2.07 -1.27 -2.14 116.25 115.96 2kck h VAL 60 Ca 0.52 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2kck h VAL 60 Cb 0.73 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2kck h VAL 60 CO -0.29 0.15 0.58 0.44 0.02 0.00 0.00 177.57 178.47 2kck h ASP 61 N 0.43 0.83 0.08 0.57 3.32 -0.33 0.35 116.42 121.67 2kck h ASP 61 Ca 0.11 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2kck h ASP 61 Cb 0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2kck h ASP 61 CO -0.01 0.50 -0.04 0.00 -1.72 0.00 0.00 179.24 177.97 2kck h TYR 63 N -0.41 0.65 -0.92 0.00 0.05 -1.34 -1.42 116.97 113.59 2kck h TYR 63 Ca -0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kck h TYR 63 Cb 0.34 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 2kck h TYR 63 CO 0.02 0.47 0.57 -0.91 -1.05 0.00 0.00 178.16 177.26 2kck h ASN 64 N 0.64 1.10 -0.42 3.88 -0.26 -0.30 0.10 115.58 120.32 2kck h ASN 64 Ca 0.17 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2kck h ASN 64 Cb 0.02 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 2kck h ASN 64 CO -0.03 0.83 0.27 0.22 -1.06 0.00 0.00 177.43 177.66 2kck h TYR 65 N 1.26 0.53 -0.36 1.19 5.03 -0.47 0.94 116.97 125.10 2kck h TYR 65 Ca 0.33 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.59 2kck h TYR 65 Cb -0.07 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 2kck h TYR 65 CO 0.00 0.36 0.01 0.28 -1.32 0.00 0.00 178.16 177.49 2kck h VAL 66 N 0.56 1.26 -0.40 1.81 2.07 -0.71 0.39 116.25 121.23 2kck h VAL 66 Ca 0.15 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 2kck h VAL 66 Cb -0.04 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2kck h VAL 66 CO -0.03 0.32 -0.28 0.40 0.02 0.00 0.00 177.57 177.99 2kck h ILE 67 N 0.44 1.27 0.02 4.57 2.04 -0.56 -1.15 117.51 124.15 2kck h ILE 67 Ca 0.10 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2kck h ILE 67 Cb 0.44 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2kck h ILE 67 CO 0.02 0.48 -0.01 0.78 0.00 0.00 0.00 178.15 179.42 2kck h ASN 68 N 0.72 -0.02 -0.69 1.72 -0.26 0.10 -3.35 115.58 113.81 2kck h ASN 68 Ca 0.08 0.00 0.15 0.00 -0.56 0.00 0.00 56.30 55.97 2kck h ASN 68 Cb 0.83 0.01 -0.11 0.00 -1.06 0.00 0.00 38.32 37.99 2kck h ASN 68 CO 0.07 0.01 0.08 0.58 -1.06 0.00 0.00 177.43 177.11 2kck h VAL 69 N -0.08 0.48 -3.66 2.81 2.07 -0.36 -3.35 116.25 114.16 2kck h VAL 69 Ca -0.00 -0.06 -0.67 0.00 0.82 0.00 0.00 66.70 66.79 2kck h VAL 69 Cb 0.02 0.29 -0.23 0.00 -1.52 0.00 0.00 31.29 29.85 2kck h VAL 69 CO 0.00 0.03 -0.58 -0.63 0.02 0.00 0.00 177.57 176.41 2kck s ILE 70 N -6.10 4.46 -0.38 4.57 1.01 -0.43 -4.95 121.20 119.37 2kck s ILE 70 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2kck s ILE 70 Cb 0.20 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2kck s ILE 70 CO 0.75 0.16 0.37 -1.84 0.00 0.00 0.00 174.94 174.38 2kck n GLU 71 N 4.95 0.46 -0.02 2.79 0.28 -1.26 -4.08 120.64 123.76 2kck n GLU 71 Ca -0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.76 2kck n GLU 71 Cb 0.50 -1.26 -0.03 0.00 1.43 0.00 0.00 31.44 32.09 2kck n GLU 71 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2kck h ASP 72 N 0.88 -0.74 -6.05 -1.84 1.82 -1.81 -3.44 116.42 105.24 2kck h ASP 72 Ca 0.00 0.13 -0.32 0.00 -0.39 0.00 0.00 57.03 56.44 2kck h ASP 72 Cb 0.37 0.34 -0.11 0.00 0.68 0.00 0.00 39.33 40.60 2kck h ASP 72 CO 0.00 -0.28 -0.51 1.21 -1.61 0.00 0.00 179.24 178.05 2kck n GLU 73 N -5.37 -0.96 -0.54 0.28 2.13 -1.26 -4.59 120.64 110.33 2kck n GLU 73 Ca -0.02 0.05 -0.02 0.00 0.66 0.00 0.00 57.16 57.83 2kck n GLU 73 Cb 0.28 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.08 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 -2.85 0.00 -3.45 4.31 9.36 -1.26 -5.09 117.16 118.18 2kck n TYR 74 Ca -0.16 -0.11 -0.43 0.00 3.32 0.00 0.00 57.90 60.51 2kck n TYR 74 Cb 0.36 0.29 -0.09 0.00 -0.63 0.00 0.00 39.34 39.27 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 -0.23 6.02 0.30 2.98 0.01 -1.26 -4.94 114.94 117.83 2kck s ASN 75 Ca 0.00 -1.27 -0.00 0.00 -0.71 0.00 0.00 52.86 50.88 2kck s ASN 75 Cb 0.00 -2.13 0.48 0.00 0.41 0.00 0.00 41.25 40.00 2kck s ASN 75 CO 0.00 -0.58 1.91 0.11 -1.51 0.00 0.00 177.10 177.04 2kck h LYS 76 N 8.65 0.90 -0.36 -0.60 1.57 -1.98 -1.06 116.57 123.69 2kck h LYS 76 Ca -0.27 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 2kck h LYS 76 Cb 1.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2kck h LYS 76 CO 0.82 0.69 0.15 -0.44 -0.57 0.00 0.00 179.45 180.09 2kck h ASP 77 N 0.90 0.49 -0.26 0.86 3.32 -1.97 0.22 116.42 119.97 2kck h ASP 77 Ca 0.22 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2kck h ASP 77 Cb 0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2kck h ASP 77 CO -0.03 0.51 0.02 0.58 -1.72 0.00 0.00 179.24 178.60 2kck h VAL 78 N 0.43 1.24 -0.19 -1.35 2.07 -1.89 -1.52 116.25 115.04 2kck h VAL 78 Ca 0.12 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2kck h VAL 78 Cb 0.17 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2kck h VAL 78 CO -0.01 0.27 0.12 -0.50 0.02 0.00 0.00 177.57 177.47 2kck h TRP 79 N 0.24 0.23 -0.81 1.57 4.06 -1.08 -0.08 115.95 120.08 2kck h TRP 79 Ca 0.08 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.07 2kck h TRP 79 Cb 0.37 -0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.41 2kck h TRP 79 CO 0.03 0.14 0.52 0.00 -3.56 0.00 0.00 178.44 175.56 2kck h ALA 80 N 1.08 1.06 -0.24 1.49 0.00 -0.89 -0.68 119.26 121.08 2kck h ALA 80 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kck h ALA 80 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2kck h ALA 80 CO -0.02 0.33 0.10 0.00 0.00 0.00 0.00 179.25 179.65 2kck h ALA 81 N 1.34 0.31 -0.68 0.00 0.00 -0.80 -2.86 119.26 116.57 2kck h ALA 81 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2kck h ALA 81 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kck h ALA 81 CO -0.12 -0.10 0.43 -0.22 0.00 0.00 0.00 179.25 179.25 2kck h LYS 82 N 0.23 0.83 -0.36 0.00 3.64 -0.59 -2.62 116.57 117.71 2kck h LYS 82 Ca 0.08 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2kck h LYS 82 Cb 0.17 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 2kck h LYS 82 CO -0.01 0.55 -0.18 0.00 -2.27 0.00 0.00 179.45 177.55 2kck h ALA 83 N 1.28 0.09 -0.99 5.00 0.00 -0.92 0.13 119.26 123.85 2kck h ALA 83 Ca 0.27 0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.53 2kck h ALA 83 Cb -0.02 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2kck h ALA 83 CO -0.09 -0.55 0.63 0.22 0.00 0.00 0.00 179.25 179.45 2kck h ASP 84 N -0.12 0.54 -0.50 0.00 1.82 -1.25 0.42 116.42 117.33 2kck h ASP 84 Ca 0.18 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.84 2kck h ASP 84 Cb 0.39 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 2kck h ASP 84 CO -0.43 0.17 0.11 0.00 -1.61 0.00 0.00 179.24 177.48 2kck h ALA 85 N 1.63 0.66 0.00 -0.78 0.00 -0.65 -2.68 119.26 117.43 2kck h ALA 85 Ca 0.55 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2kck h ALA 85 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kck h ALA 85 CO -0.29 0.37 -0.54 -0.07 0.00 0.00 0.00 179.25 178.71 2kck h LEU 86 N 0.69 0.00 -0.68 0.00 4.07 -0.03 -2.80 115.31 116.56 2kck h LEU 86 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2kck h LEU 86 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2kck h LEU 86 CO 0.00 0.54 0.00 -1.14 -1.08 0.00 0.00 178.44 176.77 2kck n ARG 87 N -3.66 0.14 -3.18 1.13 0.63 0.12 -3.31 116.66 108.52 2kck n ARG 87 Ca -0.01 0.44 -0.19 0.00 -0.92 0.00 0.00 57.85 57.18 2kck n ARG 87 Cb 0.59 -1.80 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 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 -2.07 0.30 -4.46 -0.14 4.01 -1.06 -5.05 117.16 108.68 2kck n TYR 88 Ca 0.02 -3.81 -0.22 0.00 -0.16 0.00 0.00 57.90 53.73 2kck n TYR 88 Cb 0.17 -0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.42 1.22 -0.85 -0.72 2.07 -1.21 -4.87 121.20 114.42 2kck s ILE 89 Ca 0.40 -0.97 -0.25 0.00 -1.41 0.00 0.00 60.65 58.42 2kck s ILE 89 Cb 0.33 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 2kck s ILE 89 CO -0.08 0.10 1.93 -0.70 -1.91 0.00 0.00 174.94 174.28 2kck s GLU 90 N -1.01 2.57 0.00 3.50 2.12 -1.26 -4.71 118.70 119.90 2kck s GLU 90 Ca 0.03 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2kck s GLU 90 Cb -0.08 -4.95 0.00 0.00 0.26 0.00 0.00 34.13 29.37 2kck s GLU 90 CO 0.01 -3.27 0.00 0.41 -0.54 0.00 0.00 175.26 171.87 2kck n GLY 91 N 6.66 -0.70 3.79 -1.50 0.00 -1.26 -5.15 105.19 107.03 2kck n GLY 91 Ca 0.37 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.31 3.39 0.11 1.61 1.02 -1.26 -4.95 119.74 119.34 2kck s LYS 92 Ca 0.00 1.36 0.24 0.00 0.02 0.00 0.00 55.97 57.59 2kck s LYS 92 Cb 0.00 -2.03 0.31 0.00 -0.52 0.00 0.00 37.83 35.59 2kck s LYS 92 CO 0.00 -0.78 1.29 0.39 -0.92 0.00 0.00 175.35 175.33 2kck n GLU 93 N -1.63 0.29 -0.07 1.68 1.02 -1.26 -3.91 120.64 116.76 2kck n GLU 93 Ca 0.10 0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 2kck n GLU 93 Cb 0.52 -1.68 0.26 0.00 -0.02 0.00 0.00 31.44 30.52 2kck n GLU 93 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2kck h VAL 94 N 0.00 1.20 -0.30 2.62 3.04 -1.97 -2.92 116.25 117.92 2kck h VAL 94 Ca 0.00 -0.71 0.07 0.00 -1.01 0.00 0.00 66.70 65.05 2kck h VAL 94 Cb 0.75 0.72 -0.07 0.00 -2.01 0.00 0.00 31.29 30.68 2kck h VAL 94 CO 0.00 0.26 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.32 2kck h GLU 95 N 0.67 -0.13 -0.28 4.17 5.08 -1.94 0.32 114.58 122.47 2kck h GLU 95 Ca 0.15 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2kck h GLU 95 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kck h GLU 95 CO -0.00 -0.09 0.32 0.00 -1.00 0.00 0.00 179.01 178.24 2kck h ALA 96 N 1.06 1.93 -0.01 3.43 0.00 -1.72 -1.41 119.26 122.54 2kck h ALA 96 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kck h ALA 96 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kck h ALA 96 CO -0.39 -0.47 -0.00 1.49 0.00 0.00 0.00 179.25 179.88 2kck h GLU 97 N 0.00 0.03 -0.62 0.00 4.57 -0.40 0.15 114.58 118.30 2kck h GLU 97 Ca 0.13 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2kck h GLU 97 Cb 0.78 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 2kck h GLU 97 CO -0.00 0.37 0.38 0.82 -1.18 0.00 0.00 179.01 179.40 2kck h ILE 98 N -0.32 1.06 -0.01 2.32 5.03 -1.07 0.21 117.51 124.72 2kck h ILE 98 Ca 0.00 -0.25 -0.00 0.00 -0.12 0.00 0.00 64.86 64.49 2kck h ILE 98 Cb 0.36 0.26 -0.00 0.00 -3.03 0.00 0.00 36.82 34.41 2kck h ILE 98 CO 0.00 0.13 -0.00 0.00 -0.68 0.00 0.00 178.15 177.60 2kck h ALA 99 N 1.28 0.01 -0.48 1.87 0.00 -1.43 0.66 119.26 121.18 2kck h ALA 99 Ca 0.25 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2kck h ALA 99 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2kck h ALA 99 CO -0.11 -0.32 0.23 1.49 0.00 0.00 0.00 179.25 180.53 2kck h GLU 100 N -0.29 0.43 -0.12 0.00 4.81 -0.42 0.56 114.58 119.54 2kck h GLU 100 Ca 0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2kck h GLU 100 Cb 0.32 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2kck h GLU 100 CO 0.00 0.29 -0.18 0.00 -0.73 0.00 0.00 179.01 178.38 2kck h ALA 101 N 1.27 0.18 -0.88 2.92 0.00 -0.54 -3.05 119.26 119.17 2kck h ALA 101 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kck h ALA 101 Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2kck h ALA 101 CO -0.17 0.10 0.58 -0.09 0.00 0.00 0.00 179.25 179.67 2kck h ARG 102 N -0.09 1.13 -0.39 0.00 2.43 0.64 1.08 114.38 119.19 2kck h ARG 102 Ca 0.01 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2kck h ARG 102 Cb 0.75 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2kck h ARG 102 CO 0.04 0.75 0.10 0.00 -1.51 0.00 0.00 179.97 179.36 2kck h ALA 103 N 1.33 0.44 0.06 2.80 0.00 0.11 -3.10 119.26 120.89 2kck h ALA 103 Ca 0.33 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2kck h ALA 103 Cb -0.11 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kck h ALA 103 CO -0.08 -0.30 -0.33 -0.22 0.00 0.00 0.00 179.25 178.33 2kck h LYS 104 N 0.24 0.12 0.00 0.00 1.63 -1.35 -3.47 116.57 113.74 2kck h LYS 104 Ca 0.19 -0.21 0.12 0.00 -0.85 0.00 0.00 60.65 59.89 2kck h LYS 104 Cb 0.20 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 2kck h LYS 104 CO -0.22 1.10 -0.15 -0.11 -3.45 0.00 0.00 179.45 176.61 2kck n LEU 105 N -4.41 0.00 -4.73 5.20 0.00 0.37 -4.57 117.00 108.85 2kck n LEU 105 Ca -0.12 0.46 -0.42 0.00 0.00 0.00 0.00 56.01 55.93 2kck n LEU 105 Cb 0.62 -1.38 -0.02 0.00 0.00 0.00 0.00 43.42 42.63 2kck n LEU 105 CO 0.40 -1.28 1.20 -0.70 0.00 0.00 0.00 177.39 177.00 2kck s GLU 106 N -0.85 4.21 0.13 1.96 2.12 -1.26 -4.67 118.70 120.34 2kck s GLU 106 Ca 0.00 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.73 2kck s GLU 106 Cb 0.00 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2kck s GLU 106 CO 0.00 -0.55 0.00 0.72 -0.54 0.00 0.00 175.26 174.89 2kck n HIS 107 N 2.98 -2.61 0.00 5.30 8.25 -1.26 -5.09 115.22 122.79 2kck n HIS 107 Ca 0.10 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 2kck n HIS 107 Cb 0.39 1.36 0.00 0.00 1.12 0.00 0.00 29.99 32.85 2kck n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kck n HIS 108 N -2.77 0.00 0.00 4.41 8.25 -1.26 -4.70 115.22 119.16 2kck n HIS 108 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kck n HIS 108 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kck n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kck n HIS 109 N 0.00 0.00 -3.68 4.41 8.25 -1.26 -4.33 115.22 118.61 2kck n HIS 109 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2kck n HIS 109 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 2kck n HIS 109 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kck s HIS 110 N 0.00 -0.38 -0.87 4.41 -3.43 -1.26 -5.03 115.29 108.73 2kck s HIS 110 Ca 0.00 0.68 0.25 0.00 -0.80 0.00 0.00 55.06 55.19 2kck s HIS 110 Cb 0.00 0.21 0.54 0.00 -1.43 0.00 0.00 32.58 31.90 2kck s HIS 110 CO 0.00 -0.44 1.45 0.72 -2.00 0.00 0.00 174.74 174.47 2kck n HIS 111 N 1.39 0.21 -0.38 0.38 -0.00 -1.26 -5.18 115.22 110.38 2kck n HIS 111 Ca -0.20 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2kck n HIS 111 Cb 0.56 -0.44 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2kck n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92