#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kal s PRO 26 N 0.00 4.25 0.07 0.00 0.04 -1.26 -4.90 135.00 133.20 3kal s PRO 26 Ca 0.00 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 3kal s PRO 26 Cb 0.00 -3.71 0.02 0.00 0.04 0.00 0.00 34.50 30.84 3kal s PRO 26 CO 0.00 -0.67 0.05 -0.35 0.04 0.00 0.00 177.00 176.07 3kal n PRO 27 N 6.05 -1.63 -2.37 0.56 -0.05 -1.26 -4.87 135.00 131.44 3kal n PRO 27 Ca 0.14 -0.08 -0.30 0.00 -0.05 0.00 0.00 63.50 63.21 3kal n PRO 27 Cb 0.44 -0.09 -0.01 0.00 -0.05 0.00 0.00 33.50 33.79 3kal n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3kal s LEU 28 N 0.00 3.54 -0.15 1.53 1.02 -1.26 -4.94 118.68 118.41 3kal s LEU 28 Ca 0.03 1.28 -0.42 0.00 0.02 0.00 0.00 54.13 55.05 3kal s LEU 28 Cb -0.00 -4.25 -0.19 0.00 0.02 0.00 0.00 46.19 41.76 3kal s LEU 28 CO 0.03 -0.64 1.28 0.33 0.02 0.00 0.00 176.35 177.37 3kal n PHE 29 N -2.07 1.12 -2.31 0.29 7.35 -1.26 -4.82 117.46 115.76 3kal n PHE 29 Ca 0.04 1.02 -0.43 0.00 -0.76 0.00 0.00 57.45 57.32 3kal n PHE 29 Cb 0.54 -2.17 -0.02 0.00 0.35 0.00 0.00 39.48 38.18 3kal n PHE 29 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kal s ASP 30 N 1.10 6.39 0.00 -2.13 -1.08 -1.26 -4.87 116.67 114.81 3kal s ASP 30 Ca 0.95 1.06 0.11 0.00 -0.52 0.00 0.00 52.55 54.15 3kal s ASP 30 Cb -1.29 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 38.12 3kal s ASP 30 CO 0.64 -1.34 1.36 -1.22 0.52 0.00 0.00 175.17 175.12 3kal n TYR 31 N 8.59 0.00 1.38 -5.34 0.53 -1.26 -1.03 117.16 120.02 3kal n TYR 31 Ca 0.17 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.20 3kal n TYR 31 Cb 0.47 -0.48 0.73 0.00 -1.03 0.00 0.00 39.34 39.04 3kal n TYR 31 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3kal n HIS 32 N -1.48 0.00 -0.26 -0.72 8.25 -1.26 -4.11 115.22 115.64 3kal n HIS 32 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3kal n HIS 32 Cb 0.13 -0.30 0.14 0.00 1.12 0.00 0.00 29.99 31.08 3kal n HIS 32 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kal n ARG 33 N -1.30 2.87 -2.23 -0.41 5.12 -0.20 -4.99 116.66 115.52 3kal n ARG 33 Ca 0.13 -2.07 -0.41 0.00 -1.93 0.00 0.00 57.85 53.58 3kal n ARG 33 Cb 0.25 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 3kal n ARG 33 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kal s ILE 34 N -1.25 3.04 0.20 0.55 1.01 -1.26 -4.97 121.20 118.52 3kal s ILE 34 Ca 0.22 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 3kal s ILE 34 Cb 0.13 -3.63 -0.16 0.00 0.01 0.00 0.00 42.46 38.81 3kal s ILE 34 CO 0.12 0.21 0.87 -0.67 0.00 0.00 0.00 174.94 175.48 3kal n ASP 35 N 1.37 0.23 -0.16 3.58 2.03 -1.26 -4.73 116.55 117.62 3kal n ASP 35 Ca 0.01 1.15 0.04 0.00 0.52 0.00 0.00 54.79 56.51 3kal n ASP 35 Cb 0.43 -1.11 0.33 0.00 -0.72 0.00 0.00 41.12 40.05 3kal n ASP 35 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3kal h GLN 36 N 2.07 0.78 0.26 -0.67 1.08 -1.99 -0.38 115.11 116.26 3kal h GLN 36 Ca -0.37 -0.05 -0.34 0.00 -1.45 0.00 0.00 58.65 56.44 3kal h GLN 36 Cb 1.39 -0.18 0.04 0.00 -0.05 0.00 0.00 27.48 28.68 3kal h GLN 36 CO 0.62 0.52 -1.50 1.57 -0.95 0.00 0.00 178.83 179.09 3kal h LYS 37 N 0.80 0.54 -0.59 1.46 2.10 -2.00 -1.78 116.57 117.10 3kal h LYS 37 Ca 0.27 -0.92 0.11 0.00 -2.00 0.00 0.00 60.65 58.10 3kal h LYS 37 Cb 0.06 0.34 -0.12 0.00 -0.90 0.00 0.00 32.23 31.62 3kal h LYS 37 CO -0.07 1.44 -0.29 1.25 -2.00 0.00 0.00 179.45 179.78 3kal h LEU 38 N 0.14 -1.01 -1.13 7.07 5.85 -1.91 -2.50 115.31 121.83 3kal h LEU 38 Ca -0.26 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kal h LEU 38 Cb 2.17 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 43.69 3kal h LEU 38 CO 0.27 -0.29 0.49 0.25 -0.34 0.00 0.00 178.44 178.83 3kal h LEU 39 N -0.13 0.96 -0.78 2.25 5.85 -0.95 -1.77 115.31 120.73 3kal h LEU 39 Ca 0.25 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3kal h LEU 39 Cb 0.53 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3kal h LEU 39 CO -0.67 0.73 0.13 1.56 -0.34 0.00 0.00 178.44 179.85 3kal h GLN 40 N 1.11 1.05 -0.52 1.25 4.20 -1.18 -1.10 115.11 119.90 3kal h GLN 40 Ca 0.29 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3kal h GLN 40 Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3kal h GLN 40 CO -0.06 0.95 0.32 -0.91 -0.67 0.00 0.00 178.83 178.46 3kal h ASN 41 N 0.99 0.51 -0.09 1.46 2.35 -0.99 0.16 115.58 119.97 3kal h ASN 41 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3kal h ASN 41 Cb 0.39 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3kal h ASN 41 CO 0.01 0.36 0.04 0.40 -1.65 0.00 0.00 177.43 176.59 3kal h ILE 42 N 0.63 1.13 -0.21 2.81 2.04 -0.85 -1.40 117.51 121.66 3kal h ILE 42 Ca 0.21 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kal h ILE 42 Cb 0.02 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3kal h ILE 42 CO -0.09 0.11 0.13 0.58 0.00 0.00 0.00 178.15 178.89 3kal h VAL 43 N 0.01 1.07 -0.47 1.67 2.07 -1.10 -0.02 116.25 119.48 3kal h VAL 43 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3kal h VAL 43 Cb 0.15 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3kal h VAL 43 CO -0.00 0.07 0.26 0.22 0.02 0.00 0.00 177.57 178.13 3kal h TYR 44 N 0.27 0.65 -0.51 1.57 3.20 -0.81 -2.05 116.97 119.30 3kal h TYR 44 Ca 0.08 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3kal h TYR 44 Cb -0.01 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3kal h TYR 44 CO -0.06 0.49 0.30 -0.44 -1.64 0.00 0.00 178.16 176.81 3kal h ASP 45 N 0.62 0.49 -0.67 -2.11 3.32 -1.11 -1.03 116.42 115.93 3kal h ASP 45 Ca 0.17 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.30 3kal h ASP 45 Cb 0.05 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 3kal h ASP 45 CO -0.03 0.34 0.34 0.00 -1.72 0.00 0.00 179.24 178.18 3kal h ALA 46 N 1.23 0.90 -0.56 3.45 0.00 -0.67 -0.12 119.26 123.48 3kal h ALA 46 Ca 0.20 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kal h ALA 46 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kal h ALA 46 CO -0.09 -0.04 0.12 -0.07 0.00 0.00 0.00 179.25 179.18 3kal h LEU 47 N 0.60 0.87 0.31 0.00 3.38 -0.88 -0.10 115.31 119.49 3kal h LEU 47 Ca 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3kal h LEU 47 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kal h LEU 47 CO -0.24 0.88 -0.15 0.58 0.09 0.00 0.00 178.44 179.61 3kal h VAL 48 N 0.81 0.69 -0.67 1.22 2.07 -1.02 -2.69 116.25 116.66 3kal h VAL 48 Ca 0.18 -0.56 0.14 0.00 0.82 0.00 0.00 66.70 67.28 3kal h VAL 48 Cb 0.36 0.97 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 3kal h VAL 48 CO 0.00 0.11 0.05 -0.25 0.02 0.00 0.00 177.57 177.50 3kal h TRP 49 N -0.74 0.05 -0.82 1.57 7.01 -0.92 -0.95 115.95 121.14 3kal h TRP 49 Ca -0.04 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.10 3kal h TRP 49 Cb 0.50 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.57 3kal h TRP 49 CO 0.02 -0.16 0.47 0.77 -2.79 0.00 0.00 178.44 176.75 3kal h SER 50 N 0.16 0.67 -0.02 2.65 0.02 -0.99 -1.69 113.55 114.35 3kal h SER 50 Ca 0.36 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3kal h SER 50 Cb 0.61 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3kal h SER 50 CO -0.55 0.38 -0.17 0.74 -1.14 0.00 0.00 176.83 176.10 3kal h THR 51 N 0.79 1.50 0.00 -2.27 2.02 -0.99 0.37 112.91 114.33 3kal h THR 51 Ca 0.40 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3kal h THR 51 Cb 0.36 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3kal h THR 51 CO -0.25 0.47 -0.07 -0.07 0.37 0.00 0.00 175.52 175.97 3kal h LEU 52 N -0.45 0.00 -3.04 2.58 3.38 -0.93 -2.83 115.31 114.01 3kal h LEU 52 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kal h LEU 52 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kal h LEU 52 CO 0.03 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.23 3kal n ASN 53 N -4.21 2.60 -3.84 -0.43 3.02 -0.66 -4.99 115.26 106.75 3kal n ASN 53 Ca -0.03 -2.70 -0.28 0.00 -0.03 0.00 0.00 54.58 51.54 3kal n ASN 53 Cb 0.15 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3kal n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kal n LEU 55 N -4.63 6.93 -4.14 0.00 7.94 0.13 -4.91 117.00 118.33 3kal n LEU 55 Ca -0.04 -3.74 -0.18 0.00 -1.11 0.00 0.00 56.01 50.95 3kal n LEU 55 Cb 0.56 -1.38 -0.12 0.00 0.53 0.00 0.00 43.42 43.01 3kal n LEU 55 CO 0.73 1.30 -0.45 -0.76 -1.11 0.00 0.00 177.39 177.10 3kal s LEU 56 N 0.46 2.24 0.28 -1.96 1.43 -1.26 -2.15 118.68 117.71 3kal s LEU 56 Ca 0.56 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3kal s LEU 56 Cb 0.15 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 3kal s LEU 56 CO -0.04 -0.07 0.13 0.68 0.23 0.00 0.00 176.35 177.27 3kal s VAL 57 N -1.16 0.42 0.25 -1.59 -7.23 0.21 -4.80 120.40 106.50 3kal s VAL 57 Ca -0.03 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 3kal s VAL 57 Cb -0.09 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 3kal s VAL 57 CO 0.02 0.00 1.63 -0.83 -0.31 0.00 0.00 175.10 175.61 3kal s GLY 58 N -3.33 1.76 -0.09 2.32 0.00 0.09 -2.14 107.32 105.92 3kal s GLY 58 Ca 0.37 1.56 -0.30 0.00 0.00 0.00 0.00 44.72 46.35 3kal s GLY 58 CO 0.15 2.67 1.15 -0.35 0.00 0.00 0.00 173.10 176.72 3kal s ASP 59 N 0.78 7.09 0.57 1.64 -1.08 0.16 -4.83 116.67 121.00 3kal s ASP 59 Ca 0.68 1.70 0.29 0.00 -0.52 0.00 0.00 52.55 54.70 3kal s ASP 59 Cb -0.48 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 39.89 3kal s ASP 59 CO 0.41 -0.58 1.88 0.07 0.52 0.00 0.00 175.17 177.47 3kal h LYS 60 N 7.47 0.00 -0.00 4.34 2.10 -1.94 -0.71 116.57 127.83 3kal h LYS 60 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3kal h LYS 60 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3kal h LYS 60 CO 0.89 0.00 -0.02 -1.13 -2.00 0.00 0.00 179.45 177.19 3kal n SER 61 N -3.87 0.16 -4.22 7.07 3.41 -1.26 -4.72 113.62 110.19 3kal n SER 61 Ca 0.11 -0.61 -0.34 0.00 -0.26 0.00 0.00 58.87 57.77 3kal n SER 61 Cb 0.76 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 3kal n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kal s VAL 62 N -2.31 2.87 0.23 -3.33 1.01 -0.27 -5.02 120.40 113.57 3kal s VAL 62 Ca 0.36 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3kal s VAL 62 Cb 0.21 -2.37 0.19 0.00 0.00 0.00 0.00 36.38 34.40 3kal s VAL 62 CO 0.42 0.32 1.82 -0.61 0.00 0.00 0.00 175.10 177.06 3kal h GLN 63 N 8.03 0.79 -0.00 2.72 -0.00 -1.84 -2.88 115.11 121.92 3kal h GLN 63 Ca -0.38 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 3kal h GLN 63 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.43 3kal h GLN 63 CO 0.59 0.52 -0.03 2.89 0.00 0.00 0.00 178.83 182.81 3kal n ARG 64 N -4.71 0.60 0.05 1.69 1.85 -1.26 -4.41 116.66 110.47 3kal n ARG 64 Ca 0.11 -0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 3kal n ARG 64 Cb 0.20 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.58 3kal n ARG 64 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3kal n SER 65 N -1.14 0.35 -1.22 2.89 3.41 -1.09 -0.77 113.62 116.05 3kal n SER 65 Ca 0.16 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 3kal n SER 65 Cb 0.23 -0.64 0.27 0.00 -0.26 0.00 0.00 64.21 63.81 3kal n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kal n GLY 66 N 0.89 2.19 0.00 5.00 0.00 -1.26 -4.27 105.19 107.73 3kal n GLY 66 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3kal n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kal n ARG 67 N 1.50 0.72 -3.62 1.61 1.74 -0.57 -1.12 116.66 116.93 3kal n ARG 67 Ca 0.21 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.90 3kal n ARG 67 Cb 0.60 -0.54 -0.11 0.00 -1.02 0.00 0.00 32.46 31.38 3kal n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kal s VAL 68 N -1.02 4.61 0.57 1.55 1.01 0.05 -5.09 120.40 122.08 3kal s VAL 68 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3kal s VAL 68 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3kal s VAL 68 CO 0.00 -0.09 1.24 -2.84 0.00 0.00 0.00 175.10 173.41 3kal s PRO 69 N 1.59 3.06 0.00 2.72 0.02 -1.26 -4.02 135.00 137.11 3kal s PRO 69 Ca 0.03 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.97 3kal s PRO 69 Cb -0.18 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3kal s PRO 69 CO 0.07 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 3kal n GLY 70 N 0.58 0.40 3.06 0.52 0.00 -1.26 -5.02 105.19 103.47 3kal n GLY 70 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3kal n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kal s VAL 71 N -2.00 0.75 -1.30 1.61 -7.23 -1.26 -4.85 120.40 106.13 3kal s VAL 71 Ca 0.00 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3kal s VAL 71 Cb 0.00 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.25 3kal s VAL 71 CO 0.00 -0.02 0.79 0.61 -0.31 0.00 0.00 175.10 176.17 3kal n GLY 72 N 2.22 -0.32 3.85 2.32 0.00 -1.26 -4.60 105.19 107.39 3kal n GLY 72 Ca -0.17 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3kal n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 73 N -6.66 4.21 -0.07 0.99 1.43 -1.26 0.39 118.68 117.71 3kal s LEU 73 Ca 0.06 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 3kal s LEU 73 Cb -0.03 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3kal s LEU 73 CO 0.79 -0.05 0.28 0.54 0.23 0.00 0.00 176.35 178.15 3kal s VAL 74 N -1.73 0.03 0.73 -1.59 0.11 -0.91 -4.81 120.40 112.23 3kal s VAL 74 Ca 0.46 -0.21 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 3kal s VAL 74 Cb -0.13 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3kal s VAL 74 CO 0.20 -0.12 1.16 -1.38 -3.33 0.00 0.00 175.10 171.63 3kal s HIS 75 N -0.43 2.24 0.29 1.54 -3.43 -1.26 -0.62 115.29 113.62 3kal s HIS 75 Ca -0.05 1.60 -0.30 0.00 -0.80 0.00 0.00 55.06 55.51 3kal s HIS 75 Cb -0.04 -3.31 -0.12 0.00 -1.43 0.00 0.00 32.58 27.68 3kal s HIS 75 CO 0.02 -2.24 1.60 1.28 -2.00 0.00 0.00 174.74 173.39 3kal n LEU 76 N -2.86 4.35 -4.68 5.38 7.99 -0.91 -4.67 117.00 121.59 3kal n LEU 76 Ca 0.12 1.14 -0.46 0.00 -0.01 0.00 0.00 56.01 56.81 3kal n LEU 76 Cb 0.51 -1.59 -0.04 0.00 -0.11 0.00 0.00 43.42 42.19 3kal n LEU 76 CO 0.48 0.15 1.36 -2.65 -1.51 0.00 0.00 177.39 175.22 3kal n PRO 77 N 2.20 2.35 -4.18 3.23 -0.02 -1.26 -4.89 135.00 132.44 3kal n PRO 77 Ca 0.09 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3kal n PRO 77 Cb 0.37 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.06 3kal n PRO 77 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kal s LEU 78 N 2.29 2.47 -0.29 2.45 0.05 -0.62 -0.76 118.68 124.28 3kal s LEU 78 Ca 0.83 -0.93 -0.20 0.00 0.05 0.00 0.00 54.13 53.89 3kal s LEU 78 Cb -0.63 -0.17 -0.01 0.00 -2.05 0.00 0.00 46.19 43.33 3kal s LEU 78 CO 0.41 -0.38 0.60 -0.55 -0.55 0.00 0.00 176.35 175.88 3kal s SER 79 N -2.83 6.50 0.30 1.48 0.15 -0.06 0.14 113.70 119.37 3kal s SER 79 Ca 0.10 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.29 3kal s SER 79 Cb 0.02 -2.32 0.70 0.00 -1.71 0.00 0.00 66.02 62.71 3kal s SER 79 CO -0.03 -0.41 1.77 0.25 1.20 0.00 0.00 173.24 176.03 3kal h LEU 80 N 9.02 0.74 -7.67 3.45 5.85 -1.50 -3.45 115.31 121.76 3kal h LEU 80 Ca -0.27 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.37 3kal h LEU 80 Cb 1.12 -0.04 -0.24 0.00 0.37 0.00 0.00 40.66 41.87 3kal h LEU 80 CO 0.78 0.27 -0.55 -0.76 -0.34 0.00 0.00 178.44 177.84 3kal s LEU 81 N -10.31 1.55 0.46 2.25 2.01 -1.26 -4.89 118.68 108.49 3kal s LEU 81 Ca -0.11 0.07 -0.22 0.00 0.01 0.00 0.00 54.13 53.88 3kal s LEU 81 Cb 0.24 0.51 -0.07 0.00 0.01 0.00 0.00 46.19 46.88 3kal s LEU 81 CO 0.80 -0.16 1.14 -2.16 1.01 0.00 0.00 176.35 176.97 3kal s PRO 82 N -0.48 3.76 0.60 1.29 0.04 -1.26 -4.84 135.00 134.10 3kal s PRO 82 Ca -0.06 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.62 3kal s PRO 82 Cb -0.04 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3kal s PRO 82 CO 0.01 -0.53 0.90 0.20 0.04 0.00 0.00 177.00 177.62 3kal s GLY 83 N -1.48 1.62 0.46 0.56 0.00 -1.26 -4.68 107.32 102.54 3kal s GLY 83 Ca 0.64 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 44.41 3kal s GLY 83 CO 0.32 -0.44 1.06 2.56 0.00 0.00 0.00 173.10 176.60 3kal s PRO 84 N -5.00 3.88 -0.15 2.90 0.04 -1.26 -0.22 135.00 135.19 3kal s PRO 84 Ca 0.54 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 3kal s PRO 84 Cb -0.11 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.23 3kal s PRO 84 CO 0.45 -0.38 0.36 0.12 0.04 0.00 0.00 177.00 177.59 3kal s PHE 85 N -1.82 -0.53 0.47 0.56 2.19 -0.61 -4.75 117.98 113.49 3kal s PHE 85 Ca 0.64 1.15 -0.22 0.00 0.33 0.00 0.00 56.93 58.83 3kal s PHE 85 Cb -0.20 0.20 -0.08 0.00 -1.31 0.00 0.00 43.02 41.63 3kal s PHE 85 CO 0.24 -0.32 1.11 -2.14 1.83 0.00 0.00 175.22 175.94 3kal s PRO 86 N 1.47 3.77 0.41 10.12 0.02 -1.26 -0.98 135.00 148.55 3kal s PRO 86 Ca -0.09 1.61 0.16 0.00 0.02 0.00 0.00 61.00 62.70 3kal s PRO 86 Cb -0.09 -2.30 0.89 0.00 0.02 0.00 0.00 34.50 33.02 3kal s PRO 86 CO -0.11 -0.50 1.90 1.49 -0.33 0.00 0.00 177.00 179.44 3kal h GLU 87 N 1.89 0.00 -0.29 5.54 4.81 -1.90 -0.59 114.58 124.05 3kal h GLU 87 Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3kal h GLU 87 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3kal h GLU 87 CO 0.60 0.29 0.06 0.66 -0.73 0.00 0.00 179.01 179.88 3kal h SER 88 N 0.00 0.44 -0.20 1.04 4.64 -1.90 0.52 113.55 118.10 3kal h SER 88 Ca -0.00 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 3kal h SER 88 Cb 0.55 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3kal h SER 88 CO 0.04 0.58 -0.43 0.45 -0.87 0.00 0.00 176.83 176.60 3kal h HIS 89 N 0.29 0.81 -0.58 4.77 3.86 -1.72 -2.37 115.15 120.21 3kal h HIS 89 Ca 0.09 -0.30 0.12 0.00 -1.16 0.00 0.00 60.37 59.11 3kal h HIS 89 Cb 0.32 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.53 3kal h HIS 89 CO 0.02 1.07 -0.16 2.35 0.86 0.00 0.00 177.93 182.07 3kal h TRP 90 N 0.32 -0.34 -0.95 2.45 2.91 -0.89 -1.61 115.95 117.84 3kal h TRP 90 Ca 0.00 0.05 0.12 0.00 1.13 0.00 0.00 58.89 60.19 3kal h TRP 90 Cb 1.03 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.85 3kal h TRP 90 CO 0.09 -0.26 0.60 -0.22 -1.03 0.00 0.00 178.44 177.62 3kal h LYS 91 N -0.01 0.87 -0.38 2.65 3.64 -0.88 -1.14 116.57 121.32 3kal h LYS 91 Ca 0.28 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3kal h LYS 91 Cb 0.44 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3kal h LYS 91 CO -0.61 0.58 0.08 1.96 -2.27 0.00 0.00 179.45 179.19 3kal h GLN 92 N 0.90 0.62 -0.99 1.90 4.20 -0.79 0.11 115.11 121.06 3kal h GLN 92 Ca 0.46 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 59.03 3kal h GLN 92 Cb 0.52 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3kal h GLN 92 CO -0.23 0.66 0.65 0.78 -0.67 0.00 0.00 178.83 180.03 3kal h GLY 93 N 0.47 1.40 2.00 3.46 0.00 -0.76 -1.51 103.07 108.13 3kal h GLY 93 Ca 0.12 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 3kal h GLY 93 CO 0.00 0.50 -0.79 0.00 0.00 0.00 0.00 176.54 176.25 3kal h GLU 95 N 0.00 0.65 0.00 0.00 5.08 -0.60 -3.00 114.58 116.71 3kal h GLU 95 Ca -0.01 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3kal h GLU 95 Cb 1.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3kal h GLU 95 CO 0.10 1.08 0.00 -0.07 -1.00 0.00 0.00 179.01 179.13 3kal h LEU 96 N 0.48 0.00 0.50 1.33 3.38 -1.11 -3.35 115.31 116.53 3kal h LEU 96 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kal h LEU 96 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3kal h LEU 96 CO 0.13 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.42 3kal h ALA 97 N 2.14 -0.67 0.00 1.53 0.00 -1.36 0.27 119.26 121.17 3kal h ALA 97 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3kal h ALA 97 Cb 0.34 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kal h ALA 97 CO 0.00 -0.85 -0.25 -1.00 0.00 0.00 0.00 179.25 177.14 3kal h PRO 98 N -0.71 0.00 -0.08 0.00 0.13 -1.78 0.85 132.00 130.41 3kal h PRO 98 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3kal h PRO 98 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3kal h PRO 98 CO 0.11 0.25 0.01 0.82 -0.23 0.00 0.00 178.00 178.97 3kal h ILE 99 N 0.00 1.22 -0.25 -3.56 2.04 -1.64 -1.53 117.51 113.79 3kal h ILE 99 Ca -0.00 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 3kal h ILE 99 Cb 0.61 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3kal h ILE 99 CO 0.03 0.20 -0.27 -0.26 0.00 0.00 0.00 178.15 177.84 3kal h PHE 100 N -0.11 0.56 -0.27 1.37 0.04 -0.25 -1.05 116.94 117.23 3kal h PHE 100 Ca 0.02 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.73 3kal h PHE 100 Cb 0.30 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 3kal h PHE 100 CO 0.02 0.73 -0.11 -0.91 -0.60 0.00 0.00 178.31 177.44 3kal h ASN 101 N 0.44 -0.39 -0.69 2.17 2.35 -0.63 -0.49 115.58 118.33 3kal h ASN 101 Ca 0.06 0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3kal h ASN 101 Cb 0.71 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.26 3kal h ASN 101 CO 0.05 -0.15 0.43 -0.08 -1.65 0.00 0.00 177.43 176.04 3kal h GLU 102 N -0.07 0.81 -0.26 0.81 4.57 -1.07 -2.05 114.58 117.32 3kal h GLU 102 Ca 0.14 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3kal h GLU 102 Cb 0.28 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3kal h GLU 102 CO -0.32 0.54 0.14 1.25 -1.18 0.00 0.00 179.01 179.43 3kal h LEU 103 N 0.83 0.21 -0.54 1.64 5.85 -0.96 -0.88 115.31 121.46 3kal h LEU 103 Ca 0.28 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3kal h LEU 103 Cb 0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3kal h LEU 103 CO -0.12 0.16 0.32 0.58 -0.34 0.00 0.00 178.44 179.05 3kal h VAL 104 N 0.29 1.05 -0.73 1.05 2.07 -0.98 0.54 116.25 119.53 3kal h VAL 104 Ca 0.11 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3kal h VAL 104 Cb 0.02 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3kal h VAL 104 CO -0.07 0.12 0.29 -0.78 0.02 0.00 0.00 177.57 177.16 3kal h ASP 105 N 0.64 1.00 -0.52 0.57 3.58 -1.07 -1.08 116.42 119.54 3kal h ASP 105 Ca 0.22 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 3kal h ASP 105 Cb 0.03 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3kal h ASP 105 CO -0.10 0.90 -0.15 0.03 -2.88 0.00 0.00 179.24 177.03 3kal h ARG 106 N 1.04 1.02 -0.09 0.28 2.47 -0.76 -2.91 114.38 115.43 3kal h ARG 106 Ca 0.24 -0.40 -0.15 0.00 -1.26 0.00 0.00 59.98 58.41 3kal h ARG 106 Cb 0.21 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3kal h ARG 106 CO -0.02 1.09 -0.59 0.28 0.56 0.00 0.00 179.97 181.29 3kal h VAL 107 N 0.89 1.37 -0.42 2.04 2.07 -0.79 -3.07 116.25 118.33 3kal h VAL 107 Ca 0.13 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.76 3kal h VAL 107 Cb 0.73 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3kal h VAL 107 CO 0.06 0.57 0.28 0.77 0.02 0.00 0.00 177.57 179.27 3kal h SER 108 N 0.23 0.40 0.61 0.57 4.64 -1.01 -2.20 113.55 116.79 3kal h SER 108 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kal h SER 108 Cb 1.09 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3kal h SER 108 CO 0.09 0.28 0.00 0.18 -0.87 0.00 0.00 176.83 176.51 3kal n LEU 109 N -4.48 0.01 -4.27 5.97 4.77 -1.13 -4.31 117.00 113.56 3kal n LEU 109 Ca 0.04 0.50 -0.44 0.00 -0.03 0.00 0.00 56.01 56.08 3kal n LEU 109 Cb 0.15 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3kal n LEU 109 CO 0.35 -0.21 1.00 -0.67 -1.33 0.00 0.00 177.39 176.53 3kal n ASP 110 N -1.51 5.64 0.25 -1.43 -0.08 -0.83 -4.84 116.55 113.74 3kal n ASP 110 Ca 0.04 -3.11 0.08 0.00 -1.51 0.00 0.00 54.79 50.29 3kal n ASP 110 Cb 0.21 -1.39 0.60 0.00 2.34 0.00 0.00 41.12 42.88 3kal n ASP 110 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3kal h GLY 111 N 6.90 0.00 0.67 0.27 0.00 -1.81 -1.75 103.07 107.35 3kal h GLY 111 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3kal h GLY 111 CO 1.14 0.00 -0.01 1.70 0.00 0.00 0.00 176.54 179.37 3kal h LYS 112 N 0.00 0.08 -0.96 4.80 3.64 -1.95 -2.02 116.57 120.16 3kal h LYS 112 Ca -0.00 -0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.62 3kal h LYS 112 Cb 0.17 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.85 3kal h LYS 112 CO 0.01 0.42 0.46 0.35 -2.27 0.00 0.00 179.45 178.42 3kal h PHE 113 N -0.26 0.74 0.02 1.91 3.57 -1.72 -1.24 116.94 119.96 3kal h PHE 113 Ca 0.01 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 3kal h PHE 113 Cb 0.39 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kal h PHE 113 CO 0.05 -0.14 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.41 3kal h LEU 114 N 0.33 0.41 -0.77 0.59 3.38 -1.27 -0.85 115.31 117.13 3kal h LEU 114 Ca 0.65 -0.81 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3kal h LEU 114 Cb 1.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3kal h LEU 114 CO -0.60 1.17 -0.02 1.56 0.09 0.00 0.00 178.44 180.64 3kal h GLN 115 N -0.30 0.91 0.14 1.13 1.08 -1.20 -2.10 115.11 114.76 3kal h GLN 115 Ca -0.07 -0.27 -0.29 0.00 -1.45 0.00 0.00 58.65 56.56 3kal h GLN 115 Cb 1.26 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3kal h GLN 115 CO 0.10 0.92 -1.37 0.93 -0.95 0.00 0.00 178.83 178.46 3kal h GLU 116 N 0.83 0.29 -0.22 1.46 5.08 -1.26 -1.61 114.58 119.16 3kal h GLU 116 Ca 0.15 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 3kal h GLU 116 Cb 0.53 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3kal h GLU 116 CO 0.03 1.20 -0.11 0.77 -1.00 0.00 0.00 179.01 179.91 3kal h SER 117 N 0.08 0.33 -0.47 1.42 0.02 -1.19 -3.08 113.55 110.65 3kal h SER 117 Ca -0.18 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3kal h SER 117 Cb 2.01 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.46 3kal h SER 117 CO 0.20 0.48 0.00 0.18 -1.14 0.00 0.00 176.83 176.54 3kal n LEU 118 N -4.25 3.35 -0.25 5.07 4.77 -0.79 -4.50 117.00 120.39 3kal n LEU 118 Ca 0.00 -1.53 -0.04 0.00 -0.03 0.00 0.00 56.01 54.41 3kal n LEU 118 Cb 0.28 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3kal n LEU 118 CO 0.39 0.77 1.16 0.77 -1.33 0.00 0.00 177.39 179.14 3kal h SER 119 N 4.07 0.77 0.45 -1.43 4.64 -1.20 0.13 113.55 120.98 3kal h SER 119 Ca 0.00 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 3kal h SER 119 Cb 0.91 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3kal h SER 119 CO 0.00 0.55 -1.42 0.03 -0.87 0.00 0.00 176.83 175.12 3kal h ARG 120 N 0.91 0.37 -0.82 4.77 3.08 -1.83 -3.29 114.38 117.56 3kal h ARG 120 Ca 0.27 -0.63 0.14 0.00 0.07 0.00 0.00 59.98 59.83 3kal h ARG 120 Cb -0.05 0.23 -0.14 0.00 0.08 0.00 0.00 29.97 30.09 3kal h ARG 120 CO -0.08 1.28 -0.33 1.15 -1.07 0.00 0.00 179.97 180.92 3kal h THR 121 N 0.10 0.09 -0.79 2.04 2.02 -1.64 -1.41 112.91 113.33 3kal h THR 121 Ca -0.21 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.16 3kal h THR 121 Cb 2.06 0.09 -0.15 0.00 -1.74 0.00 0.00 68.15 68.41 3kal h THR 121 CO 0.22 0.00 -0.08 1.17 0.37 0.00 0.00 175.52 177.20 3kal n LYS 122 N -5.48 -0.07 0.11 6.66 4.81 0.41 -0.09 118.16 124.52 3kal n LYS 122 Ca 0.09 1.20 0.01 0.00 -0.87 0.00 0.00 58.31 58.73 3kal n LYS 122 Cb 0.39 -1.86 -0.01 0.00 0.02 0.00 0.00 35.03 33.57 3kal n LYS 122 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3kal h ASN 123 N 0.00 0.00 0.91 3.14 -0.26 -1.38 -3.33 115.58 114.66 3kal h ASN 123 Ca 0.43 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.95 3kal h ASN 123 Cb 0.80 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 3kal h ASN 123 CO -0.77 0.59 -1.13 0.00 -1.06 0.00 0.00 177.43 175.06 3kal h ALA 124 N 1.41 0.45 -3.43 -0.83 0.00 -0.79 -3.46 119.26 112.62 3kal h ALA 124 Ca -0.03 -1.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.26 3kal h ALA 124 Cb 1.48 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 3kal h ALA 124 CO 0.07 1.29 -0.74 0.34 0.00 0.00 0.00 179.25 180.21 3kal s ASP 125 N -6.56 4.33 0.32 0.00 2.15 0.87 -4.82 116.67 112.96 3kal s ASP 125 Ca -0.00 -1.82 0.03 0.00 0.43 0.00 0.00 52.55 51.19 3kal s ASP 125 Cb 0.09 -1.22 0.56 0.00 -0.30 0.00 0.00 42.92 42.05 3kal s ASP 125 CO 0.82 -0.38 1.87 -0.08 -0.17 0.00 0.00 175.17 177.23 3kal h GLU 126 N 7.87 0.62 -0.23 4.34 4.81 -1.85 -1.47 114.58 128.67 3kal h GLU 126 Ca -0.10 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 3kal h GLU 126 Cb 1.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3kal h GLU 126 CO 0.49 0.60 -0.01 0.35 -0.73 0.00 0.00 179.01 179.70 3kal h PHE 127 N 0.60 -0.04 0.00 0.92 3.57 -1.95 -2.00 116.94 118.04 3kal h PHE 127 Ca 0.13 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3kal h PHE 127 Cb 0.29 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3kal h PHE 127 CO 0.01 -0.05 -0.27 1.15 -2.23 0.00 0.00 178.31 176.92 3kal h THR 128 N 0.06 1.12 -0.19 4.41 2.02 -1.81 -1.80 112.91 116.71 3kal h THR 128 Ca 0.11 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 3kal h THR 128 Cb 0.15 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3kal h THR 128 CO -0.20 0.27 -0.09 -1.28 0.37 0.00 0.00 175.52 174.59 3kal h SER 129 N 0.00 0.41 -0.30 4.18 0.87 -1.17 0.32 113.55 117.86 3kal h SER 129 Ca -0.00 -0.41 0.06 0.00 -1.23 0.00 0.00 61.79 60.22 3kal h SER 129 Cb 0.50 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 3kal h SER 129 CO 0.04 0.72 -0.12 0.03 -0.53 0.00 0.00 176.83 176.97 3kal h ARG 130 N 0.09 -0.06 -0.34 2.24 2.47 -1.04 0.35 114.38 118.09 3kal h ARG 130 Ca 0.04 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 3kal h ARG 130 Cb 0.56 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 3kal h ARG 130 CO 0.03 -0.04 -0.02 -0.07 0.56 0.00 0.00 179.97 180.43 3kal h LEU 131 N -0.06 -0.18 -0.87 3.04 3.38 -1.24 -2.55 115.31 116.83 3kal h LEU 131 Ca 0.15 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.24 3kal h LEU 131 Cb 0.29 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3kal h LEU 131 CO -0.35 -0.05 0.56 -0.07 0.09 0.00 0.00 178.44 178.62 3kal h LEU 132 N 0.07 0.93 -1.09 1.67 3.38 0.26 -1.89 115.31 118.64 3kal h LEU 132 Ca 0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kal h LEU 132 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3kal h LEU 132 CO -0.29 0.63 0.27 0.44 0.09 0.00 0.00 178.44 179.58 3kal h ASP 133 N 1.08 0.83 -0.25 -0.43 3.32 -0.81 0.20 116.42 120.37 3kal h ASP 133 Ca 0.35 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3kal h ASP 133 Cb 0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3kal h ASP 133 CO -0.12 0.73 -0.02 0.40 -1.72 0.00 0.00 179.24 178.51 3kal h ILE 134 N 0.91 1.27 -0.25 0.35 2.04 -1.22 -2.35 117.51 118.26 3kal h ILE 134 Ca 0.22 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3kal h ILE 134 Cb 0.14 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kal h ILE 134 CO -0.02 0.30 0.15 -0.74 0.00 0.00 0.00 178.15 177.83 3kal h HIS 135 N 0.22 0.33 -0.46 1.37 2.76 -0.80 -2.26 115.15 116.30 3kal h HIS 135 Ca 0.07 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 3kal h HIS 135 Cb 0.45 -0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.22 3kal h HIS 135 CO 0.04 0.26 -0.10 0.77 -1.30 0.00 0.00 177.93 177.60 3kal h SER 136 N 0.30 -0.39 -1.00 3.26 0.02 -0.62 -0.99 113.55 114.14 3kal h SER 136 Ca 0.09 0.13 0.17 0.00 -0.84 0.00 0.00 61.79 61.34 3kal h SER 136 Cb 0.03 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 62.74 3kal h SER 136 CO -0.02 -0.14 0.62 0.11 -1.14 0.00 0.00 176.83 176.26 3kal h LYS 137 N 0.02 0.80 -0.17 3.45 1.57 -1.16 -0.63 116.57 120.45 3kal h LYS 137 Ca 0.22 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 3kal h LYS 137 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3kal h LYS 137 CO -0.46 0.53 -0.58 0.52 -0.57 0.00 0.00 179.45 178.89 3kal h MET 138 N 0.82 0.54 -0.69 3.15 2.86 -0.77 -2.63 114.93 118.22 3kal h MET 138 Ca 0.55 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3kal h MET 138 Cb 0.79 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3kal h MET 138 CO -0.34 0.96 0.44 -0.07 1.06 0.00 0.00 176.91 178.96 3kal h LEU 139 N 0.41 0.80 -0.10 1.22 4.07 -0.31 -1.05 115.31 120.34 3kal h LEU 139 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3kal h LEU 139 Cb 1.12 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.66 3kal h LEU 139 CO 0.11 0.59 -0.09 0.00 -1.08 0.00 0.00 178.44 177.97 3kal n GLN 140 N -4.59 0.43 -0.01 1.13 10.64 -0.33 -1.81 117.38 122.84 3kal n GLN 140 Ca 0.06 -0.10 0.07 0.00 -1.83 0.00 0.00 57.00 55.20 3kal n GLN 140 Cb 0.03 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.80 3kal n GLN 140 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3kal n ILE 141 N -1.20 0.00 -3.77 -0.39 -6.64 -1.01 -5.07 119.36 101.28 3kal n ILE 141 Ca 0.12 -0.30 -0.25 0.00 -1.77 0.00 0.00 62.75 60.56 3kal n ILE 141 Cb 0.28 0.32 0.01 0.00 -1.44 0.00 0.00 39.64 38.81 3kal n ILE 141 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3kal n ASN 142 N -1.88 -2.48 -4.79 7.28 5.15 -0.40 -4.96 115.26 113.17 3kal n ASN 142 Ca -0.02 -0.72 -0.35 0.00 -0.60 0.00 0.00 54.58 52.90 3kal n ASN 142 Cb 0.35 -0.92 -0.04 0.00 -0.53 0.00 0.00 39.78 38.63 3kal n ASN 142 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3kal s LYS 143 N -5.79 3.98 -0.41 1.20 -2.85 -1.26 -4.99 119.74 109.62 3kal s LYS 143 Ca 0.22 1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 56.28 3kal s LYS 143 Cb -0.12 -2.26 0.02 0.00 -2.06 0.00 0.00 37.83 33.41 3kal s LYS 143 CO 0.56 -0.28 1.25 0.21 0.10 0.00 0.00 175.35 177.19 3kal s LYS 144 N -2.97 3.75 -0.81 1.78 2.20 -1.26 -4.94 119.74 117.49 3kal s LYS 144 Ca 0.63 0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 57.09 3kal s LYS 144 Cb -0.17 -3.92 0.20 0.00 -1.51 0.00 0.00 37.83 32.42 3kal s LYS 144 CO 0.22 -1.34 0.67 -1.83 -0.36 0.00 0.00 175.35 172.70 3kal s GLU 145 N 4.48 3.06 -0.28 4.03 4.04 -1.26 -4.97 118.70 127.79 3kal s GLU 145 Ca 0.54 -3.03 0.11 0.00 0.04 0.00 0.00 54.97 52.63 3kal s GLU 145 Cb -0.12 -3.89 0.61 0.00 0.02 0.00 0.00 34.13 30.75 3kal s GLU 145 CO 0.29 -1.24 1.60 -3.47 -1.84 0.00 0.00 175.26 170.60 3kal n ASP 146 N 2.72 3.78 -4.34 0.83 -0.08 -1.26 -4.71 116.55 113.49 3kal n ASP 146 Ca 0.17 -3.36 -0.36 0.00 -1.51 0.00 0.00 54.79 49.73 3kal n ASP 146 Cb 0.38 -0.66 -0.13 0.00 2.34 0.00 0.00 41.12 43.04 3kal n ASP 146 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3kal s ILE 147 N -3.05 3.79 -0.41 5.18 1.01 -1.26 -4.04 121.20 122.42 3kal s ILE 147 Ca 0.48 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 3kal s ILE 147 Cb 0.41 -2.85 0.20 0.00 0.01 0.00 0.00 42.46 40.22 3kal s ILE 147 CO 0.08 0.24 0.90 -0.13 0.00 0.00 0.00 174.94 176.03 3kal s ARG 148 N 1.50 0.60 0.00 2.79 0.52 -0.49 -4.90 118.95 118.98 3kal s ARG 148 Ca 0.04 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3kal s ARG 148 Cb -0.16 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.30 3kal s ARG 148 CO 0.01 -0.76 0.00 0.00 0.02 0.00 0.00 175.30 174.56 3kal n MET 149 N 3.07 0.00 -3.88 3.54 0.00 -1.26 -4.29 117.12 114.30 3kal n MET 149 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.72 3kal n MET 149 Cb 0.60 -0.15 -0.13 0.00 0.00 0.00 0.00 33.22 33.55 3kal n MET 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3kal s GLY 150 N -0.22 0.03 -0.41 3.17 0.00 0.78 -4.67 107.32 106.01 3kal s GLY 150 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.69 3kal s GLY 150 CO 0.00 -0.09 0.15 -0.42 0.00 0.00 0.00 173.10 172.74 3kal s ILE 151 N -0.38 2.08 0.43 0.90 1.01 -1.26 -1.03 121.20 122.95 3kal s ILE 151 Ca -0.04 -2.58 0.04 0.00 0.00 0.00 0.00 60.65 58.07 3kal s ILE 151 Cb -0.03 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3kal s ILE 151 CO -0.00 -0.72 0.03 0.68 0.00 0.00 0.00 174.94 174.93 3kal s VAL 152 N 0.53 1.42 -0.10 2.92 -7.23 0.59 -4.58 120.40 113.94 3kal s VAL 152 Ca 0.14 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3kal s VAL 152 Cb -0.22 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.17 3kal s VAL 152 CO -0.06 0.00 0.18 -0.60 -0.31 0.00 0.00 175.10 174.31 3kal s ARG 153 N -3.80 0.07 -0.32 4.82 3.52 -0.10 -0.93 118.95 122.21 3kal s ARG 153 Ca 0.24 0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 56.26 3kal s ARG 153 Cb 0.06 -0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.11 3kal s ARG 153 CO 0.12 -0.33 0.35 0.45 -0.81 0.00 0.00 175.30 175.08 3kal s SER 154 N 2.32 6.19 -0.16 -2.12 0.15 -0.31 -0.27 113.70 119.51 3kal s SER 154 Ca 0.03 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.55 3kal s SER 154 Cb -0.12 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3kal s SER 154 CO -0.07 -0.27 0.11 -1.81 1.20 0.00 0.00 173.24 172.40 3kal s ASP 155 N 1.71 6.08 0.06 5.45 1.01 -1.04 -0.19 116.67 129.74 3kal s ASP 155 Ca 0.12 0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.71 3kal s ASP 155 Cb -0.16 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 3kal s ASP 155 CO 0.11 0.29 -0.10 -0.31 0.21 0.00 0.00 175.17 175.37 3kal s TYR 156 N -0.29 0.89 0.12 4.23 2.02 0.54 -0.79 117.35 124.06 3kal s TYR 156 Ca 0.10 -0.49 0.11 0.00 -0.37 0.00 0.00 57.07 56.41 3kal s TYR 156 Cb -0.12 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 3kal s TYR 156 CO 0.01 -0.03 -0.26 -1.64 -1.57 0.00 0.00 175.55 172.06 3kal s MET 157 N -1.70 1.40 -0.35 -0.62 -1.94 -0.09 -1.33 119.30 114.68 3kal s MET 157 Ca -0.06 -1.31 -0.16 0.00 -1.71 0.00 0.00 55.69 52.45 3kal s MET 157 Cb -0.10 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.89 3kal s MET 157 CO 0.01 0.44 0.42 0.42 -0.01 0.00 0.00 175.02 176.30 3kal s ILE 158 N -1.05 5.11 -0.06 2.53 1.01 -1.26 -1.04 121.20 126.44 3kal s ILE 158 Ca 0.13 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 3kal s ILE 158 Cb -0.10 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3kal s ILE 158 CO 0.05 -0.15 1.51 -0.62 0.00 0.00 0.00 174.94 175.73 3kal s ASP 159 N 1.75 6.77 0.14 3.58 2.15 -0.46 -3.68 116.67 126.92 3kal s ASP 159 Ca 0.14 2.10 -0.17 0.00 0.43 0.00 0.00 52.55 55.05 3kal s ASP 159 Cb -0.16 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 3kal s ASP 159 CO 0.12 -0.84 1.79 -0.08 -0.17 0.00 0.00 175.17 175.99 3kal h GLU 160 N 8.79 0.39 0.04 4.34 4.81 -1.43 0.63 114.58 132.16 3kal h GLU 160 Ca -0.36 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3kal h GLU 160 Cb 1.16 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3kal h GLU 160 CO 0.94 0.26 -0.42 0.87 -0.73 0.00 0.00 179.01 179.93 3kal h LYS 161 N 0.40 -0.54 0.00 1.92 1.79 -1.92 -2.65 116.57 115.58 3kal h LYS 161 Ca 0.12 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3kal h LYS 161 Cb -0.02 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3kal h LYS 161 CO -0.05 -0.36 -0.29 0.00 -1.08 0.00 0.00 179.45 177.68 3kal h THR 162 N -0.56 0.63 -2.27 -0.16 1.03 -1.97 -3.47 112.91 106.15 3kal h THR 162 Ca 0.00 -1.38 -0.28 0.00 -0.01 0.00 0.00 66.41 64.74 3kal h THR 162 Cb 0.58 1.93 -0.00 0.00 -1.07 0.00 0.00 68.15 69.58 3kal h THR 162 CO -0.26 0.28 -0.38 1.17 -0.01 0.00 0.00 175.52 176.33 3kal n LYS 163 N -3.36 -1.58 -4.54 0.00 0.00 0.20 -5.01 118.16 103.87 3kal n LYS 163 Ca 0.01 0.68 -0.34 0.00 0.00 0.00 0.00 58.31 58.66 3kal n LYS 163 Cb 0.50 -4.97 -0.11 0.00 0.00 0.00 0.00 35.03 30.46 3kal n LYS 163 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3kal s SER 164 N -2.44 4.82 -0.32 3.14 1.04 -1.14 -4.90 113.70 113.91 3kal s SER 164 Ca 0.04 0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 3kal s SER 164 Cb -0.02 -1.29 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 3kal s SER 164 CO 0.05 0.35 1.55 -0.22 0.98 0.00 0.00 173.24 175.95 3kal s LEU 165 N -0.76 3.71 -0.10 2.42 2.96 -1.26 -1.35 118.68 124.31 3kal s LEU 165 Ca 0.12 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 3kal s LEU 165 Cb -0.11 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 3kal s LEU 165 CO 0.02 -1.39 -0.22 -0.76 -1.32 0.00 0.00 176.35 172.68 3kal s LEU 166 N 5.53 2.22 -0.06 -0.68 1.43 -0.21 -4.18 118.68 122.74 3kal s LEU 166 Ca 0.68 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 3kal s LEU 166 Cb -0.20 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3kal s LEU 166 CO 0.30 0.18 1.45 -1.58 0.23 0.00 0.00 176.35 176.94 3kal s GLN 167 N 0.20 4.23 -0.04 1.70 0.74 0.51 -0.91 119.66 126.10 3kal s GLN 167 Ca -0.13 1.97 -0.20 0.00 0.05 0.00 0.00 55.36 57.04 3kal s GLN 167 Cb -0.16 -3.76 -0.14 0.00 1.10 0.00 0.00 33.01 30.04 3kal s GLN 167 CO 0.07 -0.70 0.85 0.82 -0.55 0.00 0.00 175.29 175.78 3kal h ILE 168 N 5.28 0.66 -3.04 -2.34 1.08 -1.29 -3.42 117.51 114.44 3kal h ILE 168 Ca -0.35 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.12 3kal h ILE 168 Cb 1.16 1.09 -0.12 0.00 -3.07 0.00 0.00 36.82 35.88 3kal h ILE 168 CO 0.94 0.16 0.18 -1.83 -0.69 0.00 0.00 178.15 176.91 3kal s GLU 169 N -3.49 1.26 -0.20 2.37 -1.05 -1.21 -5.06 118.70 111.33 3kal s GLU 169 Ca -0.12 -0.50 -0.06 0.00 -0.15 0.00 0.00 54.97 54.14 3kal s GLU 169 Cb 0.01 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 3kal s GLU 169 CO 0.43 -0.55 0.04 1.41 0.95 0.00 0.00 175.26 177.54 3kal s MET 170 N -3.76 3.78 -0.32 -4.83 -2.45 -1.26 -2.51 119.30 107.96 3kal s MET 170 Ca 0.01 -0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 53.96 3kal s MET 170 Cb -0.01 -3.16 0.04 0.00 1.25 0.00 0.00 34.83 32.95 3kal s MET 170 CO -0.13 0.12 0.08 -0.80 1.05 0.00 0.00 175.02 175.33 3kal s ASN 171 N 0.77 5.18 0.00 1.11 0.01 0.63 -4.71 114.94 117.93 3kal s ASN 171 Ca 0.02 -1.11 0.21 0.00 -0.71 0.00 0.00 52.86 51.27 3kal s ASN 171 Cb -0.14 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.70 3kal s ASN 171 CO 0.02 -0.29 1.04 0.35 -1.51 0.00 0.00 177.10 176.71 3kal n THR 172 N 4.78 0.00 -4.02 1.60 -2.24 -1.26 -0.93 114.28 112.20 3kal n THR 172 Ca -0.13 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 3kal n THR 172 Cb 0.45 1.26 -0.16 0.00 -2.10 0.00 0.00 70.33 69.78 3kal n THR 172 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3kal s ILE 173 N -2.28 0.28 -1.37 2.28 2.07 -1.26 -4.38 121.20 116.54 3kal s ILE 173 Ca 0.18 -0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 3kal s ILE 173 Cb 0.17 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.46 3kal s ILE 173 CO 0.50 0.14 0.38 -0.24 -1.91 0.00 0.00 174.94 173.82 3kal n SER 174 N 3.77 -1.79 -4.67 4.50 2.88 -1.22 -4.86 113.62 112.24 3kal n SER 174 Ca -0.23 -1.26 -0.43 0.00 -1.33 0.00 0.00 58.87 55.63 3kal n SER 174 Cb 0.53 -1.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.16 3kal n SER 174 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3kal s THR 175 N -3.92 4.00 0.59 2.46 -4.23 -1.26 -4.93 115.64 108.36 3kal s THR 175 Ca 0.25 1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 62.00 3kal s THR 175 Cb -0.14 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.91 3kal s THR 175 CO 0.97 -0.07 0.87 -0.94 -0.54 0.00 0.00 174.62 174.92 3kal s SER 176 N 2.16 5.34 -0.41 3.99 1.04 -1.26 -4.58 113.70 119.98 3kal s SER 176 Ca 0.61 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.46 3kal s SER 176 Cb -0.27 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.52 3kal s SER 176 CO 0.21 -1.18 0.00 0.49 0.98 0.00 0.00 173.24 173.75 3kal n PHE 177 N -2.55 -0.10 -0.06 5.02 3.72 -1.26 -4.96 117.46 117.27 3kal n PHE 177 Ca 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.43 3kal n PHE 177 Cb 0.59 -1.35 0.22 0.00 -0.94 0.00 0.00 39.48 38.00 3kal n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kal h ALA 178 N 0.10 1.23 0.17 4.37 0.00 -1.91 0.20 119.26 123.42 3kal h ALA 178 Ca -0.09 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 3kal h ALA 178 Cb 0.66 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kal h ALA 178 CO 0.12 0.51 -1.55 1.25 0.00 0.00 0.00 179.25 179.59 3kal h LEU 179 N 0.64 0.57 -0.06 0.00 5.85 -1.91 -2.67 115.31 117.73 3kal h LEU 179 Ca 0.13 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3kal h LEU 179 Cb 0.39 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3kal h LEU 179 CO 0.01 1.60 0.03 0.40 -0.34 0.00 0.00 178.44 180.14 3kal h ILE 180 N 0.10 1.00 -0.20 4.05 1.08 -1.96 0.13 117.51 121.72 3kal h ILE 180 Ca -0.26 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 3kal h ILE 180 Cb 2.07 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.72 3kal h ILE 180 CO 0.20 0.01 -0.02 1.23 -0.69 0.00 0.00 178.15 178.88 3kal h GLY 181 N 0.07 0.17 2.00 5.37 0.00 -0.72 0.25 103.07 110.21 3kal h GLY 181 Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3kal h GLY 181 CO -0.01 -0.05 -0.27 0.00 0.00 0.00 0.00 176.54 176.21 3kal h LEU 183 N 0.00 0.27 -0.74 0.00 3.38 -0.44 -2.40 115.31 115.37 3kal h LEU 183 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3kal h LEU 183 Cb 0.75 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3kal h LEU 183 CO 0.03 1.23 0.34 0.24 0.09 0.00 0.00 178.44 180.38 3kal h MET 184 N 0.05 1.07 -0.63 1.13 2.86 -0.05 0.14 114.93 119.50 3kal h MET 184 Ca -0.10 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 3kal h MET 184 Cb 1.91 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.35 3kal h MET 184 CO 0.17 0.85 0.25 1.15 1.06 0.00 0.00 176.91 180.39 3kal h THR 185 N 1.04 1.23 -0.13 2.22 2.02 -1.31 0.42 112.91 118.41 3kal h THR 185 Ca 0.25 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3kal h THR 185 Cb 0.14 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3kal h THR 185 CO -0.03 0.29 0.08 1.23 0.37 0.00 0.00 175.52 177.46 3kal h GLY 186 N 0.88 0.19 0.75 2.16 0.00 -0.84 -0.25 103.07 105.95 3kal h GLY 186 Ca 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3kal h GLY 186 CO -0.02 0.07 -0.10 -2.00 0.00 0.00 0.00 176.54 174.50 3kal h LEU 187 N 0.14 -0.29 -0.55 3.11 5.85 -0.33 -0.69 115.31 122.55 3kal h LEU 187 Ca 0.05 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3kal h LEU 187 Cb 0.03 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3kal h LEU 187 CO -0.01 -0.15 -0.01 0.45 -0.34 0.00 0.00 178.44 178.38 3kal h HIS 188 N -0.18 1.07 -0.81 1.25 3.86 -0.79 0.20 115.15 119.75 3kal h HIS 188 Ca 0.04 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 3kal h HIS 188 Cb 0.22 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 3kal h HIS 188 CO -0.16 0.97 0.36 0.87 0.86 0.00 0.00 177.93 180.83 3kal h LYS 189 N 0.86 1.19 -0.41 2.45 1.57 -0.88 0.14 116.57 121.49 3kal h LYS 189 Ca 0.15 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3kal h LYS 189 Cb 0.55 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3kal h LYS 189 CO 0.03 0.94 -0.30 1.03 -0.57 0.00 0.00 179.45 180.58 3kal h SER 190 N 1.17 0.96 -0.44 0.86 0.87 -0.59 -0.76 113.55 115.63 3kal h SER 190 Ca 0.28 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 3kal h SER 190 Cb 0.17 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3kal h SER 190 CO -0.03 1.19 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.37 3kal h LEU 191 N 0.74 0.78 -0.59 2.23 3.38 -0.81 -2.61 115.31 118.43 3kal h LEU 191 Ca 0.08 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 3kal h LEU 191 Cb 0.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kal h LEU 191 CO 0.08 0.91 -0.25 -0.07 0.09 0.00 0.00 178.44 179.20 3kal h LEU 192 N 0.63 0.88 -1.91 1.67 3.38 -0.94 0.42 115.31 119.45 3kal h LEU 192 Ca 0.12 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kal h LEU 192 Cb 0.53 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kal h LEU 192 CO 0.03 1.08 -0.12 0.77 0.09 0.00 0.00 178.44 180.29 3kal h SER 193 N 0.74 0.00 0.17 -0.43 4.64 -1.04 0.23 113.55 117.85 3kal h SER 193 Ca 0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.08 3kal h SER 193 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3kal h SER 193 CO 0.07 0.12 -1.67 1.56 -0.87 0.00 0.00 176.83 176.04 3kal h GLN 194 N 0.00 0.35 -0.00 4.77 1.08 -1.03 -3.42 115.11 116.87 3kal h GLN 194 Ca -0.00 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 3kal h GLN 194 Cb 0.30 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3kal h GLN 194 CO 0.02 1.29 -0.26 0.66 -0.95 0.00 0.00 178.83 179.58 3kal n TYR 195 N -3.68 0.00 -0.37 2.96 4.02 0.09 -4.70 117.16 115.48 3kal n TYR 195 Ca -0.25 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.69 3kal n TYR 195 Cb 1.03 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.56 3kal n TYR 195 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kal h GLY 196 N 1.63 1.60 0.60 2.72 0.00 -0.66 -2.28 103.07 106.68 3kal h GLY 196 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 46.94 3kal h GLY 196 CO 0.00 0.24 0.17 0.07 0.00 0.00 0.00 176.54 177.03 3kal h LYS 197 N 1.08 0.34 0.00 4.80 2.10 -1.78 -1.01 116.57 122.11 3kal h LYS 197 Ca 0.47 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 59.07 3kal h LYS 197 Cb 0.34 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3kal h LYS 197 CO -0.22 0.23 -0.13 0.74 -2.00 0.00 0.00 179.45 178.06 3kal h PHE 198 N 0.35 0.00 -1.87 0.07 0.04 -1.75 -3.43 116.94 110.35 3kal h PHE 198 Ca 0.22 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.45 3kal h PHE 198 Cb 0.21 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 3kal h PHE 198 CO -0.15 0.13 -0.52 -0.51 -0.60 0.00 0.00 178.31 176.66 3kal s LEU 199 N -6.78 3.31 -1.46 1.54 1.43 -0.48 -4.97 118.68 111.27 3kal s LEU 199 Ca -0.01 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 3kal s LEU 199 Cb 0.11 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3kal s LEU 199 CO 0.58 -0.31 2.50 0.61 0.23 0.00 0.00 176.35 179.96 3kal n GLY 200 N -1.19 4.62 3.02 -3.19 0.00 -1.26 -4.82 105.19 102.38 3kal n GLY 200 Ca -0.03 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 3kal n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 201 N -0.09 2.05 -0.10 0.99 1.43 -0.64 -4.89 118.68 117.43 3kal s LEU 201 Ca 0.57 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3kal s LEU 201 Cb 0.16 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 3kal s LEU 201 CO -0.07 0.06 -0.22 0.21 0.23 0.00 0.00 176.35 176.56 3kal s ASN 202 N -0.41 3.27 0.61 2.29 3.04 -1.26 -4.30 114.94 118.19 3kal s ASN 202 Ca 0.01 -0.50 0.35 0.00 0.04 0.00 0.00 52.86 52.76 3kal s ASN 202 Cb -0.04 -1.32 2.00 0.00 -1.54 0.00 0.00 41.25 40.34 3kal s ASN 202 CO -0.00 0.18 2.28 0.77 -3.04 0.00 0.00 177.10 177.29 3kal h SER 203 N 6.55 0.00 0.63 -4.21 4.64 -1.88 -1.85 113.55 117.43 3kal h SER 203 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3kal h SER 203 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kal h SER 203 CO 0.49 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 3kal n ASN 204 N -3.54 0.00 -0.52 4.97 3.02 -1.26 -1.34 115.26 116.59 3kal n ASN 204 Ca -0.03 0.25 0.13 0.00 -0.03 0.00 0.00 54.58 54.90 3kal n ASN 204 Cb 0.10 -0.40 0.41 0.00 -0.61 0.00 0.00 39.78 39.27 3kal n ASN 204 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kal n ARG 205 N -1.40 1.62 -3.08 3.52 5.12 -0.69 -4.70 116.66 117.05 3kal n ARG 205 Ca 0.08 -1.05 -0.41 0.00 -1.93 0.00 0.00 57.85 54.54 3kal n ARG 205 Cb 0.23 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 3kal n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kal s VAL 206 N -2.10 4.91 0.30 1.55 1.01 -0.45 -0.08 120.40 125.54 3kal s VAL 206 Ca 0.33 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 3kal s VAL 206 Cb 0.20 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 3kal s VAL 206 CO 0.37 -0.15 1.42 -2.65 0.00 0.00 0.00 175.10 174.08 3kal n PRO 207 N 5.94 2.28 -1.58 2.72 -0.02 -1.26 -4.95 135.00 138.13 3kal n PRO 207 Ca 0.00 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3kal n PRO 207 Cb 0.49 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 3kal n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kal n ALA 208 N 1.24 -0.13 -3.70 3.55 0.00 -1.26 -5.00 120.51 115.21 3kal n ALA 208 Ca 0.07 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 3kal n ALA 208 Cb 0.35 -2.03 -0.18 0.00 0.00 0.00 0.00 19.45 17.60 3kal n ALA 208 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kal s ASN 209 N -0.80 1.03 -0.12 0.00 3.84 -1.26 -4.90 114.94 112.73 3kal s ASN 209 Ca 0.64 0.04 0.16 0.00 0.21 0.00 0.00 52.86 53.91 3kal s ASN 209 Cb -0.56 -0.19 0.30 0.00 -0.55 0.00 0.00 41.25 40.24 3kal s ASN 209 CO 0.57 -0.21 1.18 -0.46 -2.79 0.00 0.00 177.10 175.38 3kal n ASN 210 N 5.05 2.57 0.03 -4.21 0.23 -1.26 -4.86 115.26 112.80 3kal n ASN 210 Ca -0.09 -2.94 -0.11 0.00 -0.53 0.00 0.00 54.58 50.91 3kal n ASN 210 Cb 0.50 -0.40 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 3kal n ASN 210 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kal h ALA 211 N 0.33 -0.02 -0.54 -2.53 0.00 -1.79 -1.36 119.26 113.35 3kal h ALA 211 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kal h ALA 211 Cb 1.01 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3kal h ALA 211 CO 0.04 -0.53 0.33 -0.24 0.00 0.00 0.00 179.25 178.84 3kal h VAL 212 N -0.06 1.06 -0.46 0.00 3.04 -1.81 -0.34 116.25 117.69 3kal h VAL 212 Ca 0.03 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 3kal h VAL 212 Cb 0.09 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 29.71 3kal h VAL 212 CO -0.06 0.12 0.23 0.44 -1.01 0.00 0.00 177.57 177.28 3kal h ASP 213 N 0.65 0.61 -0.46 3.17 3.32 -1.86 0.57 116.42 122.41 3kal h ASP 213 Ca 0.22 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3kal h ASP 213 Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kal h ASP 213 CO -0.09 0.56 0.21 1.56 -1.72 0.00 0.00 179.24 179.76 3kal h GLN 214 N 0.61 0.68 -0.43 3.56 1.08 -1.04 -0.09 115.11 119.48 3kal h GLN 214 Ca 0.16 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3kal h GLN 214 Cb 0.11 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3kal h GLN 214 CO -0.02 0.59 0.10 0.77 -0.95 0.00 0.00 178.83 179.32 3kal h SER 215 N 0.60 0.66 -0.97 1.46 0.02 -0.91 -1.56 113.55 112.85 3kal h SER 215 Ca 0.16 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kal h SER 215 Cb 0.15 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3kal h SER 215 CO -0.02 0.73 0.64 0.00 -1.14 0.00 0.00 176.83 177.05 3kal h ALA 216 N 0.96 1.30 -0.30 3.77 0.00 -0.67 -2.62 119.26 121.71 3kal h ALA 216 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kal h ALA 216 Cb 0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kal h ALA 216 CO 0.00 0.65 -0.10 1.49 0.00 0.00 0.00 179.25 181.29 3kal h GLU 217 N 1.32 0.49 -0.22 0.00 4.57 -0.90 -0.38 114.58 119.46 3kal h GLU 217 Ca 0.36 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.30 3kal h GLU 217 Cb -0.15 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3kal h GLU 217 CO -0.08 0.59 -0.28 0.00 -1.18 0.00 0.00 179.01 178.07 3kal h ALA 218 N 1.44 0.33 -0.06 2.92 0.00 -0.94 -1.47 119.26 121.48 3kal h ALA 218 Ca 0.09 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kal h ALA 218 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kal h ALA 218 CO 0.02 0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 179.34 3kal h LEU 219 N 0.26 -0.56 -0.22 0.00 3.38 -1.32 -1.41 115.31 115.44 3kal h LEU 219 Ca 0.03 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3kal h LEU 219 Cb 0.85 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3kal h LEU 219 CO 0.07 -0.24 0.01 0.00 0.09 0.00 0.00 178.44 178.37 3kal h ALA 220 N 0.68 0.20 -0.78 1.53 0.00 -1.03 -1.20 119.26 118.66 3kal h ALA 220 Ca 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kal h ALA 220 Cb 0.38 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kal h ALA 220 CO -0.22 -0.41 0.29 0.87 0.00 0.00 0.00 179.25 179.79 3kal h LYS 221 N 0.09 1.19 -0.11 0.00 1.57 -1.25 -1.41 116.57 116.64 3kal h LYS 221 Ca 0.10 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3kal h LYS 221 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3kal h LYS 221 CO -0.16 0.97 0.06 0.00 -0.57 0.00 0.00 179.45 179.76 3kal h ALA 222 N 1.16 0.14 -0.84 3.86 0.00 -1.13 -1.03 119.26 121.41 3kal h ALA 222 Ca 0.26 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.29 3kal h ALA 222 Cb 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3kal h ALA 222 CO -0.02 -0.38 0.46 2.35 0.00 0.00 0.00 179.25 181.66 3kal h TRP 223 N 0.14 0.83 -0.76 0.00 7.01 -1.01 0.02 115.95 122.18 3kal h TRP 223 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3kal h TRP 223 Cb -0.00 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 3kal h TRP 223 CO -0.08 0.28 0.36 0.77 -2.79 0.00 0.00 178.44 176.98 3kal h SER 224 N 0.73 0.98 -0.13 2.65 0.02 -1.07 -1.65 113.55 115.08 3kal h SER 224 Ca 0.43 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 3kal h SER 224 Cb 0.50 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3kal h SER 224 CO -0.30 0.84 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.52 3kal h GLU 225 N 1.08 0.48 -0.61 3.45 4.39 0.21 -2.62 114.58 120.97 3kal h GLU 225 Ca 0.26 -0.35 0.09 0.00 0.34 0.00 0.00 59.36 59.71 3kal h GLU 225 Cb 0.12 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 3kal h GLU 225 CO -0.03 0.97 0.22 -0.92 -1.16 0.00 0.00 179.01 178.09 3kal h TYR 226 N 0.08 0.39 -4.70 4.33 5.03 -1.00 -3.47 116.97 117.62 3kal h TYR 226 Ca -0.01 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3kal h TYR 226 Cb 1.00 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.20 3kal h TYR 226 CO 0.11 0.09 -0.02 -1.71 -1.32 0.00 0.00 178.16 175.31 3kal n ASN 227 N -5.00 -6.14 -3.55 -2.11 2.85 -0.63 -5.06 115.26 95.62 3kal n ASN 227 Ca 0.09 -0.06 -0.23 0.00 -0.11 0.00 0.00 54.58 54.26 3kal n ASN 227 Cb 0.28 -4.09 -0.15 0.00 1.24 0.00 0.00 39.78 37.06 3kal n ASN 227 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3kal s ASN 228 N -2.73 2.15 0.00 1.20 3.84 -1.26 -5.05 114.94 113.09 3kal s ASN 228 Ca 0.01 -0.58 0.16 0.00 0.21 0.00 0.00 52.86 52.66 3kal s ASN 228 Cb -0.00 -0.02 0.75 0.00 -0.55 0.00 0.00 41.25 41.43 3kal s ASN 228 CO 0.54 -0.36 1.46 -0.81 -2.79 0.00 0.00 177.10 175.14 3kal n PRO 229 N 5.29 0.15 0.00 0.43 -0.04 -1.26 -2.04 135.00 137.53 3kal n PRO 229 Ca -0.06 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3kal n PRO 229 Cb 0.48 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3kal n PRO 229 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kal n ARG 230 N -1.36 1.58 -1.57 0.54 1.74 -1.26 -4.95 116.66 111.37 3kal n ARG 230 Ca 0.06 -1.11 -0.31 0.00 -0.77 0.00 0.00 57.85 55.73 3kal n ARG 230 Cb 0.14 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3kal n ARG 230 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kal s ALA 231 N -1.93 2.67 0.48 7.54 0.00 -0.87 -4.74 121.76 124.92 3kal s ALA 231 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3kal s ALA 231 Cb 0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3kal s ALA 231 CO 0.39 -1.24 0.02 0.00 0.00 0.00 0.00 175.76 174.93 3kal s ALA 232 N -3.05 3.87 -0.23 0.00 0.00 -0.53 -4.66 121.76 117.17 3kal s ALA 232 Ca 0.58 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 3kal s ALA 232 Cb -0.14 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3kal s ALA 232 CO 0.55 -0.06 0.08 0.42 0.00 0.00 0.00 175.76 176.75 3kal s ILE 233 N -2.83 4.62 -0.32 0.00 1.01 0.22 -1.15 121.20 122.74 3kal s ILE 233 Ca 0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 3kal s ILE 233 Cb 0.04 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3kal s ILE 233 CO 0.08 0.37 0.77 -0.22 0.00 0.00 0.00 174.94 175.94 3kal s LEU 234 N 1.16 4.11 -0.23 2.97 2.96 -0.27 -1.02 118.68 128.37 3kal s LEU 234 Ca 0.05 0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 3kal s LEU 234 Cb -0.14 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 3kal s LEU 234 CO 0.04 -0.63 0.14 -0.69 -1.32 0.00 0.00 176.35 173.88 3kal s VAL 235 N 2.96 5.19 -0.29 1.68 1.01 0.11 -0.40 120.40 130.65 3kal s VAL 235 Ca 0.31 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 3kal s VAL 235 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3kal s VAL 235 CO 0.14 0.37 0.30 -0.69 0.00 0.00 0.00 175.10 175.22 3kal s VAL 236 N 0.94 5.22 0.40 2.92 1.01 -0.01 -2.09 120.40 128.79 3kal s VAL 236 Ca 0.07 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.38 3kal s VAL 236 Cb -0.13 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 3kal s VAL 236 CO 0.03 0.13 0.03 0.68 0.00 0.00 0.00 175.10 175.97 3kal s VAL 237 N 1.94 1.58 0.46 2.92 -7.23 -0.59 0.11 120.40 119.58 3kal s VAL 237 Ca 0.11 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 3kal s VAL 237 Cb -0.16 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 3kal s VAL 237 CO 0.11 0.00 0.71 -1.10 -0.31 0.00 0.00 175.10 174.50 3kal s GLN 238 N -3.78 3.27 0.22 4.82 -0.21 -1.26 -4.10 119.66 118.61 3kal s GLN 238 Ca 0.31 -0.20 -0.05 0.00 0.02 0.00 0.00 55.36 55.44 3kal s GLN 238 Cb 0.08 -2.49 0.20 0.00 1.00 0.00 0.00 33.01 31.80 3kal s GLN 238 CO 0.15 -0.22 1.68 0.28 -2.12 0.00 0.00 175.29 175.06 3kal h VAL 239 N 0.35 1.26 -3.63 1.09 2.07 -1.98 -3.40 116.25 112.01 3kal h VAL 239 Ca -0.47 -1.17 -0.67 0.00 0.82 0.00 0.00 66.70 65.22 3kal h VAL 239 Cb 1.23 0.97 -0.32 0.00 -1.52 0.00 0.00 31.29 31.65 3kal h VAL 239 CO 0.60 0.41 -0.88 -0.70 0.02 0.00 0.00 177.57 177.02 3kal s GLU 240 N -4.86 2.70 -0.41 1.57 2.56 -1.26 -4.77 118.70 114.22 3kal s GLU 240 Ca -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 54.97 54.07 3kal s GLU 240 Cb 0.14 -2.14 0.17 0.00 2.00 0.00 0.00 34.13 34.29 3kal s GLU 240 CO 0.83 0.25 0.46 -2.00 -0.56 0.00 0.00 175.26 174.24 3kal s GLU 241 N 0.15 0.80 0.56 4.30 2.56 -0.27 -4.97 118.70 121.84 3kal s GLU 241 Ca -0.12 -1.15 0.29 0.00 0.00 0.00 0.00 54.97 53.99 3kal s GLU 241 Cb -0.16 -0.69 1.66 0.00 2.00 0.00 0.00 34.13 36.95 3kal s GLU 241 CO 0.06 -1.27 2.17 0.00 -0.56 0.00 0.00 175.26 175.66 3kal h ARG 242 N 6.30 0.00 -1.03 4.30 3.08 -1.81 -2.78 114.38 122.44 3kal h ARG 242 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.79 3kal h ARG 242 Cb 1.04 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.88 3kal h ARG 242 CO 0.19 0.06 0.46 -1.71 -1.07 0.00 0.00 179.97 177.90 3kal n ASN 243 N -3.72 3.86 0.20 7.04 5.15 -1.26 -0.73 115.26 125.80 3kal n ASN 243 Ca -0.02 -3.11 0.04 0.00 -0.60 0.00 0.00 54.58 50.88 3kal n ASN 243 Cb 0.16 -0.76 0.42 0.00 -0.53 0.00 0.00 39.78 39.06 3kal n ASN 243 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kal h MET 244 N 0.78 0.00 -0.75 1.20 -0.00 -1.86 -3.12 114.93 111.17 3kal h MET 244 Ca 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 60.16 3kal h MET 244 Cb 2.12 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.68 3kal h MET 244 CO 0.78 0.30 0.50 1.88 -0.00 0.00 0.00 176.91 180.37 3kal h TYR 245 N 0.00 0.90 -0.75 -0.10 -1.99 -1.87 0.16 116.97 113.32 3kal h TYR 245 Ca -0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3kal h TYR 245 Cb 0.53 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 3kal h TYR 245 CO 0.00 0.54 0.38 1.49 -0.00 0.00 0.00 178.16 180.57 3kal h GLU 246 N 0.94 1.07 0.50 4.88 4.81 -1.88 0.51 114.58 125.41 3kal h GLU 246 Ca 0.29 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kal h GLU 246 Cb 0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3kal h GLU 246 CO -0.08 0.82 -0.37 1.96 -0.73 0.00 0.00 179.01 180.61 3kal h GLN 247 N 1.05 -0.82 -0.99 1.92 4.20 -1.44 -1.57 115.11 117.47 3kal h GLN 247 Ca 0.26 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.21 3kal h GLN 247 Cb 0.08 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 3kal h GLN 247 CO -0.04 -0.55 0.61 0.45 -0.67 0.00 0.00 178.83 178.64 3kal h HIS 248 N -0.85 0.98 -0.49 2.96 3.86 -0.43 -0.63 115.15 120.56 3kal h HIS 248 Ca -0.05 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3kal h HIS 248 Cb 0.72 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3kal h HIS 248 CO -0.15 0.25 -0.02 -0.92 0.86 0.00 0.00 177.93 177.95 3kal h TYR 249 N 0.73 0.97 -0.41 2.45 5.03 0.31 0.19 116.97 126.24 3kal h TYR 249 Ca 0.55 -0.18 -0.04 0.00 2.58 0.00 0.00 58.73 61.64 3kal h TYR 249 Cb 0.89 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 3kal h TYR 249 CO -0.00 0.92 0.10 0.82 -1.32 0.00 0.00 178.16 178.68 3kal h ILE 250 N 0.74 1.23 -0.88 1.81 2.04 -0.13 -0.71 117.51 121.60 3kal h ILE 250 Ca 0.14 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3kal h ILE 250 Cb 0.55 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3kal h ILE 250 CO 0.03 0.27 0.50 0.28 0.00 0.00 0.00 178.15 179.23 3kal h SER 251 N 0.51 1.08 -0.73 1.72 0.02 -1.16 0.31 113.55 115.31 3kal h SER 251 Ca 0.13 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3kal h SER 251 Cb 0.30 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3kal h SER 251 CO 0.00 0.85 0.43 0.00 -1.14 0.00 0.00 176.83 176.98 3kal h ALA 252 N 1.32 0.92 -0.50 3.77 0.00 -0.20 -1.00 119.26 123.58 3kal h ALA 252 Ca 0.31 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3kal h ALA 252 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.42 3kal h ALA 252 CO -0.05 0.40 -0.01 -0.07 0.00 0.00 0.00 179.25 179.51 3kal h LEU 253 N 0.99 -0.24 -0.18 0.00 3.38 -0.74 0.27 115.31 118.80 3kal h LEU 253 Ca 0.26 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3kal h LEU 253 Cb -0.03 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kal h LEU 253 CO -0.05 -0.08 0.12 -0.07 0.09 0.00 0.00 178.44 178.45 3kal h LEU 254 N 0.10 0.21 0.21 1.67 3.38 -0.57 -0.83 115.31 119.49 3kal h LEU 254 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3kal h LEU 254 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kal h LEU 254 CO -0.43 0.15 -0.10 -0.09 0.09 0.00 0.00 178.44 178.06 3kal h ARG 255 N 0.25 -0.27 0.13 1.13 2.43 -0.92 0.83 114.38 117.96 3kal h ARG 255 Ca 0.07 0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.95 3kal h ARG 255 Cb -0.03 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3kal h ARG 255 CO -0.01 -0.01 -1.49 0.93 -1.51 0.00 0.00 179.97 177.88 3kal h GLU 256 N -0.52 0.28 0.02 0.20 5.08 -0.44 -2.74 114.58 116.46 3kal h GLU 256 Ca -0.03 -0.47 -0.39 0.00 -1.00 0.00 0.00 59.36 57.47 3kal h GLU 256 Cb 0.39 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3kal h GLU 256 CO 0.05 1.16 -2.25 1.17 -1.00 0.00 0.00 179.01 178.14 3kal n LYS 257 N -3.49 0.64 0.00 2.33 4.81 -0.34 -4.56 118.16 117.55 3kal n LYS 257 Ca -0.15 0.26 0.10 0.00 -0.87 0.00 0.00 58.31 57.64 3kal n LYS 257 Cb 1.05 -1.58 0.01 0.00 0.02 0.00 0.00 35.03 34.53 3kal n LYS 257 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kal n HIS 258 N -3.73 0.00 -4.09 5.64 8.25 -0.72 -5.00 115.22 115.56 3kal n HIS 258 Ca -0.44 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.61 3kal n HIS 258 Cb 0.93 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.04 3kal n HIS 258 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kal n HIS 259 N 0.19 -1.41 -4.24 4.41 8.25 0.10 -4.93 115.22 117.59 3kal n HIS 259 Ca 0.09 0.24 -0.28 0.00 -0.26 0.00 0.00 57.72 57.51 3kal n HIS 259 Cb 0.44 -2.88 -0.17 0.00 1.12 0.00 0.00 29.99 28.50 3kal n HIS 259 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kal s ILE 260 N -3.73 1.33 0.35 1.59 1.01 -0.11 -4.95 121.20 116.71 3kal s ILE 260 Ca 0.37 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 3kal s ILE 260 Cb -0.20 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.92 3kal s ILE 260 CO 0.97 0.41 1.38 -0.60 0.00 0.00 0.00 174.94 177.10 3kal s ARG 261 N 1.23 4.23 0.07 2.79 3.52 -1.26 -2.57 118.95 126.97 3kal s ARG 261 Ca -0.02 2.36 0.10 0.00 -0.13 0.00 0.00 55.73 58.04 3kal s ARG 261 Cb -0.14 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3kal s ARG 261 CO -0.04 -0.35 -0.25 -1.12 -0.81 0.00 0.00 175.30 172.72 3kal s SER 262 N -0.35 3.32 -0.01 -2.12 0.01 -1.26 -0.61 113.70 112.68 3kal s SER 262 Ca 0.51 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.20 3kal s SER 262 Cb -0.43 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 3kal s SER 262 CO 0.57 0.23 -0.17 0.27 0.41 0.00 0.00 173.24 174.55 3kal s ILE 263 N -0.92 1.36 -0.18 1.44 -4.36 -0.19 -4.92 121.20 113.45 3kal s ILE 263 Ca 0.13 -0.78 -0.03 0.00 -0.26 0.00 0.00 60.65 59.71 3kal s ILE 263 Cb -0.10 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 3kal s ILE 263 CO 0.04 0.35 -0.05 0.00 0.24 0.00 0.00 174.94 175.52 3kal s ARG 264 N -0.49 3.52 0.01 0.37 1.70 -1.26 0.07 118.95 122.88 3kal s ARG 264 Ca 0.06 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 3kal s ARG 264 Cb -0.07 -2.92 -0.01 0.00 -0.57 0.00 0.00 34.95 31.38 3kal s ARG 264 CO -0.00 0.07 -0.02 0.15 -1.08 0.00 0.00 175.30 174.42 3kal s LYS 265 N 0.80 0.15 0.68 3.89 -0.14 -0.89 -4.98 119.74 119.26 3kal s LYS 265 Ca -0.02 -0.27 -0.11 0.00 -1.36 0.00 0.00 55.97 54.21 3kal s LYS 265 Cb -0.15 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 3kal s LYS 265 CO 0.02 -0.02 1.06 0.95 -0.76 0.00 0.00 175.35 176.60 3kal s THR 266 N -0.63 4.09 0.25 2.17 -4.23 -1.26 -1.54 115.64 114.49 3kal s THR 266 Ca -0.07 0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 61.08 3kal s THR 266 Cb -0.04 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.50 3kal s THR 266 CO -0.00 -0.89 1.80 -0.07 -0.54 0.00 0.00 174.62 174.92 3kal h LEU 267 N -0.64 0.63 -0.11 4.79 -0.00 -1.90 -1.20 115.31 116.88 3kal h LEU 267 Ca -0.44 0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 3kal h LEU 267 Cb 1.21 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.75 3kal h LEU 267 CO 0.59 0.35 -0.37 0.74 -0.00 0.00 0.00 178.44 179.75 3kal h THR 268 N 0.75 0.21 -0.57 0.22 2.02 -1.89 -1.62 112.91 112.03 3kal h THR 268 Ca 0.41 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.63 3kal h THR 268 Cb 0.42 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3kal h THR 268 CO -0.27 0.00 0.38 -0.33 0.37 0.00 0.00 175.52 175.67 3kal h GLU 269 N -0.46 0.60 -0.65 6.66 5.08 -1.85 -1.69 114.58 122.27 3kal h GLU 269 Ca 0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3kal h GLU 269 Cb 0.59 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3kal h GLU 269 CO -0.37 0.40 0.18 0.82 -1.00 0.00 0.00 179.01 179.04 3kal h ILE 270 N 0.62 1.25 -0.73 3.13 2.04 -0.91 0.45 117.51 123.37 3kal h ILE 270 Ca 0.23 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3kal h ILE 270 Cb 0.15 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3kal h ILE 270 CO -0.06 0.34 0.37 -0.78 0.00 0.00 0.00 178.15 178.01 3kal h ASP 271 N 0.95 0.92 -0.05 1.72 1.82 -0.75 0.72 116.42 121.75 3kal h ASP 271 Ca 0.21 -0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 56.57 3kal h ASP 271 Cb 0.33 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 40.12 3kal h ASP 271 CO -0.00 0.77 -0.67 1.56 -1.61 0.00 0.00 179.24 179.29 3kal h GLN 272 N 1.02 0.55 -0.02 0.28 4.20 -0.95 -3.37 115.11 116.83 3kal h GLN 272 Ca 0.25 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3kal h GLN 272 Cb 0.08 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3kal h GLN 272 CO -0.04 1.15 -0.17 0.39 -0.67 0.00 0.00 178.83 179.49 3kal n GLU 273 N -4.12 1.51 -3.74 1.46 1.02 0.12 -5.04 120.64 111.85 3kal n GLU 273 Ca -0.09 -1.10 -0.32 0.00 -0.02 0.00 0.00 57.16 55.63 3kal n GLU 273 Cb 0.70 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 3kal n GLU 273 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kal s GLY 274 N -1.62 2.23 0.16 0.62 0.00 0.24 -0.33 107.32 108.63 3kal s GLY 274 Ca 0.16 -0.61 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 3kal s GLY 274 CO 0.30 -0.52 0.55 -1.59 0.00 0.00 0.00 173.10 171.84 3kal s LYS 275 N -2.44 1.28 -0.28 2.90 -2.85 -0.50 -4.93 119.74 112.92 3kal s LYS 275 Ca 0.37 -0.62 -0.10 0.00 -1.00 0.00 0.00 55.97 54.62 3kal s LYS 275 Cb -0.13 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3kal s LYS 275 CO 0.24 -0.55 0.16 0.42 0.10 0.00 0.00 175.35 175.72 3kal s ILE 276 N -3.79 5.00 0.79 3.79 1.01 -1.26 -0.32 121.20 126.42 3kal s ILE 276 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 3kal s ILE 276 Cb -0.01 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 39.12 3kal s ILE 276 CO -0.10 0.22 1.12 -0.76 0.00 0.00 0.00 174.94 175.42 3kal s LEU 277 N 1.71 3.06 0.54 2.97 1.43 0.14 -4.88 118.68 123.65 3kal s LEU 277 Ca 0.07 1.99 0.28 0.00 -1.03 0.00 0.00 54.13 55.44 3kal s LEU 277 Cb -0.16 -4.54 1.45 0.00 0.03 0.00 0.00 46.19 42.97 3kal s LEU 277 CO 0.09 -2.27 1.94 -0.65 0.23 0.00 0.00 176.35 175.69 3kal h PRO 278 N -1.07 0.00 -0.26 1.29 0.11 -1.99 0.13 132.00 130.22 3kal h PRO 278 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kal h PRO 278 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kal h PRO 278 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 3kal n ASP 279 N -4.21 0.77 0.00 -2.05 5.68 -1.26 -4.84 116.55 110.64 3kal n ASP 279 Ca 0.12 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3kal n ASP 279 Cb 0.74 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 3kal n ASP 279 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kal n GLY 280 N 0.56 0.76 3.72 6.12 0.00 0.45 -4.98 105.19 111.82 3kal n GLY 280 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kal n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kal s THR 281 N -2.73 4.78 0.11 2.61 2.01 -1.25 0.51 115.64 121.68 3kal s THR 281 Ca 0.00 1.86 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 3kal s THR 281 Cb 0.00 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 3kal s THR 281 CO 0.00 0.26 1.35 -0.22 -0.69 0.00 0.00 174.62 175.32 3kal s LEU 282 N 0.51 4.37 -0.05 4.42 2.96 -1.26 -0.68 118.68 128.94 3kal s LEU 282 Ca 0.45 2.27 0.04 0.00 -0.22 0.00 0.00 54.13 56.67 3kal s LEU 282 Cb -0.21 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3kal s LEU 282 CO 0.26 -0.62 -0.15 -0.55 -1.32 0.00 0.00 176.35 173.97 3kal s SER 283 N 1.09 1.97 -0.09 3.68 0.15 0.56 -1.06 113.70 120.01 3kal s SER 283 Ca 0.63 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.97 3kal s SER 283 Cb -0.35 -0.63 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 3kal s SER 283 CO 0.30 0.12 -0.12 -0.69 1.20 0.00 0.00 173.24 174.05 3kal s VAL 284 N 0.20 1.21 -1.63 4.45 1.01 0.35 -1.41 120.40 124.59 3kal s VAL 284 Ca -0.06 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3kal s VAL 284 Cb -0.12 -1.14 0.14 0.00 0.00 0.00 0.00 36.38 35.27 3kal s VAL 284 CO 0.02 0.38 0.78 -0.67 0.00 0.00 0.00 175.10 175.61 3kal n ASP 285 N 4.19 -3.51 0.00 3.32 2.03 0.55 -1.10 116.55 122.03 3kal n ASP 285 Ca -0.19 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3kal n ASP 285 Cb 0.51 -2.87 0.00 0.00 -0.72 0.00 0.00 41.12 38.04 3kal n ASP 285 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kal n GLY 286 N -1.38 0.67 3.36 0.27 0.00 -1.26 -5.03 105.19 101.81 3kal n GLY 286 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3kal n GLY 286 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kal s GLN 287 N -0.04 3.42 0.36 1.61 2.00 -0.26 -5.09 119.66 121.67 3kal s GLN 287 Ca 0.00 -0.64 -0.26 0.00 -2.00 0.00 0.00 55.36 52.46 3kal s GLN 287 Cb 0.00 -2.84 -0.09 0.00 0.80 0.00 0.00 33.01 30.88 3kal s GLN 287 CO 0.00 0.04 1.15 0.00 -0.50 0.00 0.00 175.29 175.98 3kal s ALA 288 N 0.85 3.25 -0.13 1.58 0.00 -1.26 -0.49 121.76 125.55 3kal s ALA 288 Ca -0.02 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3kal s ALA 288 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3kal s ALA 288 CO 0.01 -0.40 -0.22 0.42 0.00 0.00 0.00 175.76 175.57 3kal s ILE 289 N -1.35 2.00 -0.20 0.00 -1.09 -0.22 -1.45 121.20 118.88 3kal s ILE 289 Ca 0.53 -0.95 0.22 0.00 -2.23 0.00 0.00 60.65 58.22 3kal s ILE 289 Cb -0.31 -1.76 -0.31 0.00 -1.58 0.00 0.00 42.46 38.50 3kal s ILE 289 CO 0.39 0.54 0.57 -1.54 -1.23 0.00 0.00 174.94 173.67 3kal n SER 290 N 3.98 0.19 -4.00 3.58 3.41 -0.30 -4.24 113.62 116.24 3kal n SER 290 Ca -0.20 -0.16 -0.20 0.00 -0.26 0.00 0.00 58.87 58.06 3kal n SER 290 Cb 0.52 1.78 -0.15 0.00 -0.26 0.00 0.00 64.21 66.09 3kal n SER 290 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kal s VAL 291 N -3.43 0.74 -0.24 -3.33 1.01 -1.21 -0.17 120.40 113.77 3kal s VAL 291 Ca -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3kal s VAL 291 Cb 0.14 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.92 3kal s VAL 291 CO 0.90 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 175.43 3kal s VAL 292 N 0.13 1.98 -0.34 2.92 1.01 0.12 -1.11 120.40 125.10 3kal s VAL 292 Ca -0.02 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 3kal s VAL 292 Cb -0.08 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3kal s VAL 292 CO 0.00 0.04 0.32 -0.47 0.00 0.00 0.00 175.10 174.99 3kal s TYR 293 N 1.21 3.22 -0.22 5.22 5.04 0.46 -0.36 117.35 131.91 3kal s TYR 293 Ca -0.06 -0.11 -0.21 0.00 -2.44 0.00 0.00 57.07 54.25 3kal s TYR 293 Cb -0.19 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 3kal s TYR 293 CO -0.06 -0.42 0.67 -0.06 -1.34 0.00 0.00 175.55 174.34 3kal s PHE 294 N 1.91 3.33 -0.27 4.97 0.08 -0.63 -0.83 117.98 126.55 3kal s PHE 294 Ca 0.10 0.93 0.10 0.00 0.12 0.00 0.00 56.93 58.17 3kal s PHE 294 Cb -0.17 -2.86 0.48 0.00 -0.57 0.00 0.00 43.02 39.90 3kal s PHE 294 CO 0.11 -0.27 1.39 0.54 -0.10 0.00 0.00 175.22 176.90 3kal n ARG 295 N 5.44 1.78 -3.75 0.44 5.12 0.12 -3.38 116.66 122.42 3kal n ARG 295 Ca 0.00 -3.21 0.01 0.00 -1.93 0.00 0.00 57.85 52.73 3kal n ARG 295 Cb 0.49 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 3kal n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kal s ALA 296 N -3.23 -2.21 0.00 7.54 0.00 -1.14 -4.16 121.76 118.56 3kal s ALA 296 Ca 0.43 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3kal s ALA 296 Cb 0.39 0.56 0.00 0.00 0.00 0.00 0.00 23.12 24.07 3kal s ALA 296 CO -0.02 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.07 3kal n GLY 297 N -0.62 0.44 0.65 0.00 0.00 -1.26 -4.89 105.19 99.52 3kal n GLY 297 Ca -0.05 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3kal n GLY 297 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kal n TYR 298 N -2.96 0.00 -4.31 1.61 4.11 -1.26 -4.91 117.16 109.44 3kal n TYR 298 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.72 3kal n TYR 298 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 39.34 39.20 3kal n TYR 298 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 3kal s THR 299 N -2.30 0.88 0.61 -3.48 2.01 -1.26 -4.37 115.64 107.73 3kal s THR 299 Ca 0.23 -0.79 0.30 0.00 0.31 0.00 0.00 61.69 61.73 3kal s THR 299 Cb 0.19 -0.80 0.36 0.00 0.01 0.00 0.00 72.50 72.26 3kal s THR 299 CO 0.47 0.01 2.02 -0.65 -0.69 0.00 0.00 174.62 175.78 3kal h PRO 300 N 5.21 0.00 0.00 4.92 0.11 -1.96 -0.41 132.00 139.87 3kal h PRO 300 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3kal h PRO 300 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kal h PRO 300 CO 0.45 0.00 -0.11 0.87 -0.21 0.00 0.00 178.00 179.00 3kal h LYS 301 N 0.00 0.00 0.00 1.05 1.57 -1.99 -2.49 116.57 114.71 3kal h LYS 301 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3kal h LYS 301 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kal h LYS 301 CO -0.00 0.11 0.00 -0.25 -0.57 0.00 0.00 179.45 178.74 3kal n ASP 302 N -3.46 0.00 -2.95 0.86 8.00 -0.16 -4.17 116.55 114.66 3kal n ASP 302 Ca -0.01 -0.38 -0.24 0.00 0.71 0.00 0.00 54.79 54.86 3kal n ASP 302 Cb 0.27 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3kal n ASP 302 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kal n TYR 303 N -1.17 3.04 0.18 1.24 4.01 -0.94 -4.87 117.16 118.66 3kal n TYR 303 Ca 0.15 -3.85 0.12 0.00 -0.16 0.00 0.00 57.90 54.16 3kal n TYR 303 Cb 0.15 -0.44 0.67 0.00 -0.31 0.00 0.00 39.34 39.42 3kal n TYR 303 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3kal h PRO 304 N 2.95 0.00 -5.05 -0.72 0.13 -1.75 -3.46 132.00 124.11 3kal h PRO 304 Ca 0.13 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.86 3kal h PRO 304 Cb 0.66 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.65 3kal h PRO 304 CO 0.74 0.00 -0.61 -1.12 -0.23 0.00 0.00 178.00 176.78 3kal s SER 305 N -6.75 1.75 0.56 1.44 0.01 -1.26 -5.04 113.70 104.40 3kal s SER 305 Ca -0.05 -1.37 0.24 0.00 1.31 0.00 0.00 55.95 56.08 3kal s SER 305 Cb 0.18 0.04 1.56 0.00 0.21 0.00 0.00 66.02 68.01 3kal s SER 305 CO 0.68 -0.67 2.18 -0.33 0.41 0.00 0.00 173.24 175.52 3kal h GLU 306 N 2.27 0.00 -0.82 12.44 4.39 -2.00 -3.08 114.58 127.78 3kal h GLU 306 Ca -0.39 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.40 3kal h GLU 306 Cb 1.24 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 3kal h GLU 306 CO 0.65 0.00 -0.53 0.77 -1.16 0.00 0.00 179.01 178.74 3kal h SER 307 N 0.00 -1.89 -0.15 1.42 0.02 -1.97 0.35 113.55 111.33 3kal h SER 307 Ca 0.03 0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3kal h SER 307 Cb 0.12 0.85 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3kal h SER 307 CO -0.00 -0.29 -0.19 -0.33 -1.14 0.00 0.00 176.83 174.87 3kal h GLU 308 N -0.11 0.57 -0.22 3.45 3.07 -1.80 -1.56 114.58 117.96 3kal h GLU 308 Ca 0.18 -0.20 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 3kal h GLU 308 Cb 0.50 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3kal h GLU 308 CO -0.84 0.73 -0.43 -1.49 -1.40 0.00 0.00 179.01 175.58 3kal h TRP 309 N 0.51 0.66 -0.15 4.33 4.06 -1.56 -1.73 115.95 122.08 3kal h TRP 309 Ca 0.08 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 3kal h TRP 309 Cb 0.62 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 3kal h TRP 309 CO 0.02 0.89 0.04 0.00 -3.56 0.00 0.00 178.44 175.83 3kal h ARG 310 N 0.45 0.23 -0.38 0.49 3.08 -0.52 -2.27 114.38 115.46 3kal h ARG 310 Ca 0.03 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.10 3kal h ARG 310 Cb 0.94 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 3kal h ARG 310 CO 0.08 0.38 -0.07 0.00 -1.07 0.00 0.00 179.97 179.29 3kal h ALA 311 N 0.85 0.28 0.05 0.04 0.00 -1.31 0.15 119.26 119.32 3kal h ALA 311 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kal h ALA 311 Cb 0.24 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kal h ALA 311 CO -0.00 -0.44 -0.22 -0.09 0.00 0.00 0.00 179.25 178.50 3kal h ARG 312 N 0.03 -0.37 -0.25 0.00 9.65 -1.13 -1.07 114.38 121.24 3kal h ARG 312 Ca 0.19 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.14 3kal h ARG 312 Cb 0.28 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 3kal h ARG 312 CO -0.37 -0.24 -0.06 1.25 2.80 0.00 0.00 179.97 183.34 3kal h LEU 313 N -0.38 -0.24 -0.26 3.80 5.85 -1.30 -1.35 115.31 121.45 3kal h LEU 313 Ca 0.04 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3kal h LEU 313 Cb 0.43 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 3kal h LEU 313 CO -0.16 -0.08 -0.15 0.25 -0.34 0.00 0.00 178.44 177.95 3kal h LEU 314 N -0.00 -0.49 -1.13 2.25 5.85 -0.36 -1.24 115.31 120.18 3kal h LEU 314 Ca 0.12 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3kal h LEU 314 Cb 0.18 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3kal h LEU 314 CO -0.26 -0.19 0.10 0.24 -0.34 0.00 0.00 178.44 178.00 3kal h MET 315 N -0.12 0.71 -0.59 1.25 2.86 -1.17 -1.78 114.93 116.09 3kal h MET 315 Ca 0.14 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3kal h MET 315 Cb 0.33 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3kal h MET 315 CO -0.33 0.66 0.20 1.49 1.06 0.00 0.00 176.91 179.98 3kal h GLU 316 N 0.69 0.87 -0.24 1.72 4.57 -0.15 -3.10 114.58 118.94 3kal h GLU 316 Ca 0.15 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3kal h GLU 316 Cb 0.28 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3kal h GLU 316 CO -0.00 0.74 -0.13 1.96 -1.18 0.00 0.00 179.01 180.41 3kal h GLN 317 N 0.85 0.51 -6.03 1.92 4.20 -1.04 -3.45 115.11 112.07 3kal h GLN 317 Ca 0.20 -0.23 -0.57 0.00 0.06 0.00 0.00 58.65 58.10 3kal h GLN 317 Cb 0.23 -0.01 0.21 0.00 0.30 0.00 0.00 27.48 28.20 3kal h GLN 317 CO -0.01 0.78 -1.46 -1.13 -0.67 0.00 0.00 178.83 176.34 3kal n SER 318 N -4.48 -4.68 0.16 1.46 3.41 -0.69 -4.95 113.62 103.84 3kal n SER 318 Ca -0.04 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3kal n SER 318 Cb 0.35 -0.83 0.52 0.00 -0.26 0.00 0.00 64.21 64.00 3kal n SER 318 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kal h SER 319 N -0.51 0.00 -3.49 4.04 4.64 -0.23 -3.48 113.55 114.53 3kal h SER 319 Ca -0.43 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.33 3kal h SER 319 Cb 1.37 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.59 3kal h SER 319 CO 0.33 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 176.69 3kal n ALA 320 N -1.85 1.00 -2.34 5.18 0.00 -1.26 -4.93 120.51 116.32 3kal n ALA 320 Ca 0.02 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 3kal n ALA 320 Cb 0.27 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 3kal n ALA 320 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kal s ILE 321 N -1.25 3.99 0.23 0.00 -1.09 0.76 -4.87 121.20 118.97 3kal s ILE 321 Ca 0.63 1.10 -0.17 0.00 -2.23 0.00 0.00 60.65 59.98 3kal s ILE 321 Cb -0.50 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.22 3kal s ILE 321 CO 0.56 -0.51 0.69 -0.54 -1.23 0.00 0.00 174.94 173.91 3kal s LYS 322 N 4.47 4.14 -0.40 2.79 3.01 -1.26 -0.70 119.74 131.78 3kal s LYS 322 Ca 0.61 0.74 0.01 0.00 -1.01 0.00 0.00 55.97 56.32 3kal s LYS 322 Cb -0.18 -2.80 0.13 0.00 -1.01 0.00 0.00 37.83 33.97 3kal s LYS 322 CO 0.27 0.36 0.21 0.00 0.51 0.00 0.00 175.35 176.70 3kal s PRO 324 N 0.73 2.50 0.84 0.00 0.04 -1.26 -1.61 135.00 136.24 3kal s PRO 324 Ca 0.16 -1.49 -0.11 0.00 0.04 0.00 0.00 61.00 59.60 3kal s PRO 324 Cb -0.23 -2.69 0.10 0.00 0.04 0.00 0.00 34.50 31.72 3kal s PRO 324 CO -0.04 -0.64 1.09 0.95 0.04 0.00 0.00 177.00 178.40 3kal s THR 325 N -2.55 2.95 0.32 1.26 -4.23 -1.22 -4.85 115.64 107.31 3kal s THR 325 Ca 0.59 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 3kal s THR 325 Cb -0.07 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.27 3kal s THR 325 CO 0.37 -0.40 1.93 -0.29 -0.54 0.00 0.00 174.62 175.68 3kal h ILE 326 N -1.37 1.04 0.05 2.99 6.09 -1.97 0.66 117.51 125.00 3kal h ILE 326 Ca -0.47 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 62.70 3kal h ILE 326 Cb 1.26 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.59 3kal h ILE 326 CO 0.53 0.17 -0.02 0.77 -3.07 0.00 0.00 178.15 176.52 3kal h SER 327 N 0.92 -0.06 -0.73 2.19 4.64 -1.93 -1.46 113.55 117.13 3kal h SER 327 Ca 0.37 -0.26 0.12 0.00 -0.47 0.00 0.00 61.79 61.55 3kal h SER 327 Cb 0.24 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.26 3kal h SER 327 CO -0.13 0.23 0.31 1.88 -0.87 0.00 0.00 176.83 178.24 3kal h TYR 328 N -0.34 0.54 -0.35 4.77 -1.99 -1.74 -2.34 116.97 115.52 3kal h TYR 328 Ca -0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.82 3kal h TYR 328 Cb 0.31 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 3kal h TYR 328 CO 0.02 0.11 0.02 1.25 -0.00 0.00 0.00 178.16 179.56 3kal h HIS 329 N 0.49 0.01 -0.48 4.88 2.76 -0.39 -2.12 115.15 120.30 3kal h HIS 329 Ca 0.39 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 3kal h HIS 329 Cb 0.53 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 3kal h HIS 329 CO -0.15 -0.05 0.22 -0.07 -1.30 0.00 0.00 177.93 176.59 3kal h LEU 330 N 0.12 0.59 -1.20 0.26 3.38 -0.89 -2.55 115.31 115.02 3kal h LEU 330 Ca 0.17 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3kal h LEU 330 Cb 0.23 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3kal h LEU 330 CO -0.27 0.51 0.55 0.58 0.09 0.00 0.00 178.44 179.90 3kal h VAL 331 N 0.67 1.14 0.00 1.22 2.07 -0.86 -2.31 116.25 118.18 3kal h VAL 331 Ca 0.17 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3kal h VAL 331 Cb 0.08 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3kal h VAL 331 CO -0.02 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.37 3kal n GLY 332 N -1.41 -0.97 3.74 2.17 0.00 -0.96 -4.32 105.19 103.44 3kal n GLY 332 Ca 0.11 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kal n GLY 332 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kal s THR 333 N -2.50 2.56 0.25 2.61 -4.23 -0.87 -4.77 115.64 108.68 3kal s THR 333 Ca 0.22 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 3kal s THR 333 Cb 0.15 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 3kal s THR 333 CO 0.32 -0.13 1.57 0.11 -0.54 0.00 0.00 174.62 175.95 3kal h LYS 334 N 0.14 0.06 0.10 3.99 1.79 -1.88 -2.44 116.57 118.34 3kal h LYS 334 Ca -0.48 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 57.95 3kal h LYS 334 Cb 1.29 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 3kal h LYS 334 CO 0.52 0.70 -0.20 -0.22 -1.08 0.00 0.00 179.45 179.17 3kal h LYS 335 N 0.04 -0.36 -0.90 3.15 1.63 -1.91 -0.69 116.57 117.53 3kal h LYS 335 Ca -0.01 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 3kal h LYS 335 Cb 1.17 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.82 3kal h LYS 335 CO 0.09 -0.24 0.59 0.82 -3.45 0.00 0.00 179.45 177.26 3kal h ILE 336 N -0.37 1.10 -0.76 2.00 1.08 -1.81 -0.49 117.51 118.27 3kal h ILE 336 Ca 0.03 -0.37 0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3kal h ILE 336 Cb 0.40 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.03 3kal h ILE 336 CO -0.12 0.19 0.45 -0.61 -0.69 0.00 0.00 178.15 177.38 3kal h GLN 337 N 1.07 0.81 0.44 2.37 4.15 -0.94 -0.80 115.11 122.21 3kal h GLN 337 Ca 0.37 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 3kal h GLN 337 Cb 0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3kal h GLN 337 CO -0.13 0.54 -0.29 0.37 -1.93 0.00 0.00 178.83 177.39 3kal h GLN 338 N 0.84 -0.68 -0.99 1.69 -0.00 -0.76 -3.00 115.11 112.21 3kal h GLN 338 Ca 0.33 0.05 0.19 0.00 -0.00 0.00 0.00 58.65 59.21 3kal h GLN 338 Cb 0.15 0.15 -0.10 0.00 0.00 0.00 0.00 27.48 27.69 3kal h GLN 338 CO -0.17 -0.45 0.61 0.93 0.00 0.00 0.00 178.83 179.76 3kal h GLU 339 N -0.70 0.71 0.00 1.69 4.39 -0.94 0.49 114.58 120.22 3kal h GLU 339 Ca -0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3kal h GLU 339 Cb 0.58 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3kal h GLU 339 CO 0.04 0.47 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.20 3kal h LEU 340 N 0.73 0.00 0.00 1.33 3.38 -1.03 -1.56 115.31 118.16 3kal h LEU 340 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3kal h LEU 340 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kal h LEU 340 CO -0.34 0.09 -0.55 0.00 0.09 0.00 0.00 178.44 177.73 3kal n ALA 341 N -2.20 2.91 -1.72 1.53 0.00 0.17 -3.22 120.51 117.99 3kal n ALA 341 Ca -0.01 -0.24 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 3kal n ALA 341 Cb 0.26 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.54 3kal n ALA 341 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kal n LYS 342 N -2.05 1.75 -1.62 0.00 5.02 -0.59 -4.93 118.16 115.75 3kal n LYS 342 Ca 0.04 0.64 -0.52 0.00 -2.02 0.00 0.00 58.31 56.45 3kal n LYS 342 Cb 0.43 -2.50 -0.06 0.00 -0.02 0.00 0.00 35.03 32.88 3kal n LYS 342 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kal n PRO 343 N -0.64 1.33 -0.55 1.97 -0.02 -1.26 -2.49 135.00 133.33 3kal n PRO 343 Ca 0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kal n PRO 343 Cb 0.43 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3kal n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kal n GLY 344 N 2.90 0.00 0.09 -1.23 0.00 -1.26 -4.88 105.19 100.81 3kal n GLY 344 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3kal n GLY 344 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kal h VAL 345 N 0.00 1.64 -0.86 1.61 3.04 -1.76 -3.06 116.25 116.86 3kal h VAL 345 Ca 0.00 -2.25 0.31 0.00 -1.01 0.00 0.00 66.70 63.75 3kal h VAL 345 Cb 0.26 3.13 -0.16 0.00 -2.01 0.00 0.00 31.29 32.51 3kal h VAL 345 CO 0.00 0.61 0.29 0.18 -1.01 0.00 0.00 177.57 177.63 3kal n LEU 346 N -4.46 0.14 0.23 3.16 4.77 -1.20 -0.33 117.00 119.31 3kal n LEU 346 Ca -0.11 1.43 0.16 0.00 -0.03 0.00 0.00 56.01 57.46 3kal n LEU 346 Cb 0.57 -0.63 0.64 0.00 -2.33 0.00 0.00 43.42 41.67 3kal n LEU 346 CO 0.39 -1.55 0.95 -0.33 -1.33 0.00 0.00 177.39 175.53 3kal h GLU 347 N 0.00 0.00 -0.03 3.23 3.07 -1.78 0.12 114.58 119.19 3kal h GLU 347 Ca 0.65 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.51 3kal h GLU 347 Cb 1.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.50 3kal h GLU 347 CO -0.72 0.00 0.02 0.00 -1.40 0.00 0.00 179.01 176.92 3kal h ARG 348 N 0.00 0.00 -0.00 2.33 3.08 -0.63 -3.34 114.38 115.81 3kal h ARG 348 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kal h ARG 348 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kal h ARG 348 CO 0.00 0.00 -0.03 1.19 -1.07 0.00 0.00 179.97 180.06 3kal n PHE 349 N -4.17 0.00 -3.74 3.04 3.01 0.37 -4.96 117.46 111.01 3kal n PHE 349 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 3kal n PHE 349 Cb 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.48 3kal n PHE 349 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kal s VAL 350 N -0.54 0.00 0.00 -4.37 0.11 -0.94 -4.85 120.40 109.82 3kal s VAL 350 Ca 0.05 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3kal s VAL 350 Cb 0.04 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3kal s VAL 350 CO 0.07 -0.01 0.00 -1.84 -3.33 0.00 0.00 175.10 169.99 3kal n GLU 351 N 2.79 1.53 -1.57 1.54 0.00 -1.26 -4.59 120.64 119.08 3kal n GLU 351 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.59 3kal n GLU 351 Cb 0.57 -0.87 -0.04 0.00 0.00 0.00 0.00 31.44 31.11 3kal n GLU 351 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3kal n ASN 352 N -1.27 2.96 0.02 -1.84 4.05 -1.26 -4.90 115.26 113.02 3kal n ASN 352 Ca 0.00 0.19 -0.05 0.00 0.45 0.00 0.00 54.58 55.16 3kal n ASN 352 Cb 0.00 -1.50 0.14 0.00 1.23 0.00 0.00 39.78 39.65 3kal n ASN 352 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3kal h LYS 353 N 14.92 0.46 -0.58 1.20 1.79 -2.00 -2.56 116.57 129.80 3kal h LYS 353 Ca -0.37 -0.23 0.04 0.00 -2.18 0.00 0.00 60.65 57.91 3kal h LYS 353 Cb 1.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.88 3kal h LYS 353 CO 0.99 0.79 0.38 0.22 -1.08 0.00 0.00 179.45 180.75 3kal h ASP 354 N 0.38 0.55 -0.28 0.86 3.58 -2.01 -2.84 116.42 116.65 3kal h ASP 354 Ca 0.04 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 3kal h ASP 354 Cb 0.87 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 3kal h ASP 354 CO 0.07 0.37 -0.29 0.45 -2.88 0.00 0.00 179.24 176.96 3kal h HIS 355 N 0.63 0.83 -0.87 0.28 3.86 -1.95 -2.19 115.15 115.74 3kal h HIS 355 Ca 0.24 -0.25 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3kal h HIS 355 Cb 0.15 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 3kal h HIS 355 CO -0.00 0.99 0.54 0.82 0.86 0.00 0.00 177.93 181.14 3kal h ILE 356 N 0.43 1.02 0.70 2.45 2.04 -1.46 -0.56 117.51 122.13 3kal h ILE 356 Ca 0.04 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3kal h ILE 356 Cb 0.86 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3kal h ILE 356 CO 0.07 0.18 -0.36 0.00 0.00 0.00 0.00 178.15 178.04 3kal h ALA 357 N 1.42 -0.98 -0.79 1.87 0.00 -1.29 -1.36 119.26 118.13 3kal h ALA 357 Ca 0.39 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.23 3kal h ALA 357 Cb 0.22 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3kal h ALA 357 CO -0.19 -1.05 0.37 0.87 0.00 0.00 0.00 179.25 179.25 3kal h LYS 358 N -0.97 0.53 0.61 0.00 1.57 -1.33 0.40 116.57 117.37 3kal h LYS 358 Ca -0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3kal h LYS 358 Cb 0.76 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.96 3kal h LYS 358 CO 0.14 0.35 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.00 3kal h LEU 359 N 0.54 -0.69 -1.62 2.94 3.38 -1.03 -3.11 115.31 115.71 3kal h LEU 359 Ca 0.43 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 3kal h LEU 359 Cb 0.62 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kal h LEU 359 CO -0.37 -0.35 -0.21 0.03 0.09 0.00 0.00 178.44 177.63 3kal h ARG 360 N -1.06 0.00 -0.91 1.13 3.08 -1.09 -2.11 114.38 113.41 3kal h ARG 360 Ca -0.08 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.23 3kal h ARG 360 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 3kal h ARG 360 CO 0.14 0.21 0.66 0.00 -1.07 0.00 0.00 179.97 179.91 3kal h ALA 361 N 1.79 2.85 -0.19 0.04 0.00 -0.14 -2.36 119.26 121.24 3kal h ALA 361 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kal h ALA 361 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kal h ALA 361 CO 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 179.25 178.15 3kal s PHE 363 N -1.43 3.73 0.46 0.00 0.08 -0.89 -0.36 117.98 119.57 3kal s PHE 363 Ca 0.28 1.52 -0.01 0.00 0.12 0.00 0.00 56.93 58.84 3kal s PHE 363 Cb 0.18 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 3kal s PHE 363 CO 0.25 0.24 0.70 0.00 -0.10 0.00 0.00 175.22 176.31 3kal s ALA 364 N 0.05 3.67 -0.20 5.36 0.00 -1.26 -4.97 121.76 124.42 3kal s ALA 364 Ca 0.40 -0.97 -0.40 0.00 0.00 0.00 0.00 51.96 50.99 3kal s ALA 364 Cb -0.21 -2.22 -0.17 0.00 0.00 0.00 0.00 23.12 20.52 3kal s ALA 364 CO 0.24 -0.41 1.58 0.41 0.00 0.00 0.00 175.76 177.58 3kal n GLY 365 N -2.14 0.59 2.86 0.00 0.00 -1.26 -4.87 105.19 100.37 3kal n GLY 365 Ca 0.01 0.87 -0.14 0.00 0.00 0.00 0.00 46.02 46.77 3kal n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 366 N 2.47 1.71 -0.04 0.99 1.43 -1.26 0.27 118.68 124.25 3kal s LEU 366 Ca 0.95 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 3kal s LEU 366 Cb -1.12 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3kal s LEU 366 CO 0.63 -0.03 0.27 0.26 0.23 0.00 0.00 176.35 177.71 3kal s TRP 367 N 0.33 -0.18 0.38 0.29 0.51 -0.01 -4.89 118.94 115.38 3kal s TRP 367 Ca -0.03 0.34 -0.24 0.00 -2.12 0.00 0.00 56.10 54.05 3kal s TRP 367 Cb -0.05 0.07 -0.10 0.00 -0.81 0.00 0.00 33.47 32.59 3kal s TRP 367 CO -0.01 -0.30 0.98 0.45 -0.51 0.00 0.00 176.95 177.57 3kal s SER 368 N -0.88 7.01 0.00 2.95 0.15 -1.26 -1.18 113.70 120.48 3kal s SER 368 Ca -0.10 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.41 3kal s SER 368 Cb -0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3kal s SER 368 CO 0.03 -0.31 0.17 0.18 1.20 0.00 0.00 173.24 174.51 3kal n LEU 369 N -0.05 0.25 -0.00 3.45 4.77 -1.26 -1.81 117.00 122.35 3kal n LEU 369 Ca 0.05 -0.12 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 3kal n LEU 369 Cb 0.51 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3kal n LEU 369 CO 0.42 0.06 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.66 3kal n GLU 370 N 0.21 2.57 -2.47 3.23 1.02 -1.26 -4.78 120.64 119.16 3kal n GLU 370 Ca 0.00 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.72 3kal n GLU 370 Cb 0.06 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3kal n GLU 370 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kal s ASP 371 N -2.30 6.27 0.25 1.62 -1.08 -0.75 -4.88 116.67 115.81 3kal s ASP 371 Ca 0.01 -1.34 0.23 0.00 -0.52 0.00 0.00 52.55 50.93 3kal s ASP 371 Cb 0.06 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 39.20 3kal s ASP 371 CO 0.36 -1.72 1.34 0.77 0.52 0.00 0.00 175.17 176.44 3kal h SER 372 N 10.00 0.00 -0.99 -0.34 4.64 -1.86 -2.51 113.55 122.50 3kal h SER 372 Ca 0.19 -0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.56 3kal h SER 372 Cb 1.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.97 3kal h SER 372 CO 1.39 0.02 -0.54 0.47 -0.87 0.00 0.00 176.83 177.31 3kal n ASP 373 N -2.64 -0.95 0.13 4.97 10.43 -1.26 -1.84 116.55 125.39 3kal n ASP 373 Ca 0.02 1.75 0.00 0.00 2.57 0.00 0.00 54.79 59.13 3kal n ASP 373 Cb 0.51 -0.27 0.10 0.00 1.84 0.00 0.00 41.12 43.30 3kal n ASP 373 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3kal h ILE 374 N 0.00 1.18 -0.06 0.53 1.08 -1.86 -2.16 117.51 116.22 3kal h ILE 374 Ca 0.20 -2.32 -0.00 0.00 -0.39 0.00 0.00 64.86 62.35 3kal h ILE 374 Cb 0.45 2.35 -0.00 0.00 -3.07 0.00 0.00 36.82 36.55 3kal h ILE 374 CO -0.94 0.60 0.03 0.58 -0.69 0.00 0.00 178.15 177.73 3kal h VAL 375 N 0.00 1.10 -0.68 1.67 2.07 -1.39 -0.26 116.25 118.76 3kal h VAL 375 Ca -0.01 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3kal h VAL 375 Cb 1.30 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 32.16 3kal h VAL 375 CO 0.08 0.08 -0.55 0.50 0.02 0.00 0.00 177.57 177.70 3kal h LYS 376 N -0.02 -0.18 -0.91 1.57 3.64 -1.38 0.16 116.57 119.44 3kal h LYS 376 Ca 0.02 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.62 3kal h LYS 376 Cb 0.11 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3kal h LYS 376 CO -0.00 -0.12 0.60 -0.22 -2.27 0.00 0.00 179.45 177.44 3kal h LYS 377 N -0.19 0.43 0.22 1.90 1.63 -1.20 -2.07 116.57 117.29 3kal h LYS 377 Ca 0.11 -0.03 -0.30 0.00 -0.85 0.00 0.00 60.65 59.58 3kal h LYS 377 Cb 0.48 -0.10 0.03 0.00 -0.60 0.00 0.00 32.23 32.05 3kal h LYS 377 CO -0.74 0.28 -1.35 0.00 -3.45 0.00 0.00 179.45 174.19 3kal h ALA 378 N 1.61 -0.11 -0.68 5.00 0.00 -0.80 -1.21 119.26 123.07 3kal h ALA 378 Ca 0.48 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kal h ALA 378 Cb 1.15 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3kal h ALA 378 CO -0.20 0.65 0.45 -0.84 0.00 0.00 0.00 179.25 179.32 3kal h ILE 379 N 0.01 1.11 0.17 0.00 3.07 -0.78 -2.06 117.51 119.03 3kal h ILE 379 Ca -0.24 -0.28 -0.26 0.00 1.55 0.00 0.00 64.86 65.62 3kal h ILE 379 Cb 2.03 0.20 0.02 0.00 -0.27 0.00 0.00 36.82 38.80 3kal h ILE 379 CO 0.23 0.15 -1.22 -0.08 -1.05 0.00 0.00 178.15 176.18 3kal h GLU 380 N 0.83 0.36 -2.15 0.16 4.81 -1.45 -3.39 114.58 113.74 3kal h GLU 380 Ca 0.27 -0.61 -0.59 0.00 -0.13 0.00 0.00 59.36 58.30 3kal h GLU 380 Cb 0.05 0.23 -0.41 0.00 0.63 0.00 0.00 28.75 29.24 3kal h GLU 380 CO -0.07 1.29 -0.72 0.09 -0.73 0.00 0.00 179.01 178.87 3kal n ASN 381 N -3.92 2.97 0.27 1.04 3.02 -0.46 -4.97 115.26 113.21 3kal n ASN 381 Ca -0.18 -3.29 0.16 0.00 -0.03 0.00 0.00 54.58 51.24 3kal n ASN 381 Cb 0.94 -0.66 0.75 0.00 -0.61 0.00 0.00 39.78 40.20 3kal n ASN 381 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kal h PRO 382 N 4.05 0.00 0.00 3.52 0.13 -1.58 -2.35 132.00 135.76 3kal h PRO 382 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3kal h PRO 382 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3kal h PRO 382 CO 0.75 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.74 3kal n GLU 383 N -3.30 0.08 -0.22 0.86 0.00 -1.26 -2.57 120.64 114.22 3kal n GLU 383 Ca -0.01 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.66 3kal n GLU 383 Cb 0.27 -1.68 0.23 0.00 0.00 0.00 0.00 31.44 30.25 3kal n GLU 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kal n LEU 384 N -1.85 3.53 -3.89 -1.84 4.32 -0.89 -4.91 117.00 111.48 3kal n LEU 384 Ca 0.02 -1.61 -0.11 0.00 -0.02 0.00 0.00 56.01 54.29 3kal n LEU 384 Cb 0.15 -0.29 -0.12 0.00 -1.62 0.00 0.00 43.42 41.54 3kal n LEU 384 CO 0.13 0.79 -0.29 -0.36 -1.22 0.00 0.00 177.39 176.45 3kal s PHE 385 N -1.36 0.04 -0.02 -1.77 0.40 -1.19 -1.54 117.98 112.55 3kal s PHE 385 Ca 0.40 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.71 3kal s PHE 385 Cb 0.23 -0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.68 3kal s PHE 385 CO 0.31 -0.12 -0.16 0.08 0.70 0.00 0.00 175.22 176.03 3kal s VAL 386 N -0.62 2.95 -0.22 -0.44 1.01 0.78 -4.46 120.40 119.39 3kal s VAL 386 Ca -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3kal s VAL 386 Cb -0.04 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3kal s VAL 386 CO 0.00 0.50 -0.06 -0.32 0.00 0.00 0.00 175.10 175.22 3kal s MET 387 N -0.98 3.25 -0.10 2.72 1.75 -0.31 0.01 119.30 125.64 3kal s MET 387 Ca 0.13 -0.70 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 3kal s MET 387 Cb -0.11 -2.96 0.01 0.00 2.84 0.00 0.00 34.83 34.61 3kal s MET 387 CO 0.02 -0.23 -0.18 0.15 -0.65 0.00 0.00 175.02 174.14 3kal s LYS 388 N 1.44 2.42 1.01 4.11 1.02 -0.57 -0.86 119.74 128.31 3kal s LYS 388 Ca 0.05 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 3kal s LYS 388 Cb -0.14 -1.97 0.20 0.00 -0.52 0.00 0.00 37.83 35.39 3kal s LYS 388 CO -0.05 0.01 1.17 -1.25 -0.92 0.00 0.00 175.35 174.32 3kal s PRO 389 N 0.77 0.29 -1.24 -1.68 0.04 -1.26 -1.51 135.00 130.42 3kal s PRO 389 Ca -0.11 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 60.85 3kal s PRO 389 Cb -0.16 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.80 3kal s PRO 389 CO 0.01 -2.72 1.63 1.04 0.04 0.00 0.00 177.00 177.01 3kal n GLN 390 N -4.08 3.54 -4.11 4.56 1.13 -1.19 -4.72 117.38 112.51 3kal n GLN 390 Ca 0.10 -3.75 -0.11 0.00 -1.94 0.00 0.00 57.00 51.31 3kal n GLN 390 Cb 0.59 -2.95 -0.08 0.00 0.11 0.00 0.00 30.24 27.91 3kal n GLN 390 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3kal s ARG 391 N 0.74 1.23 -0.16 -1.09 1.81 -1.26 -4.86 118.95 115.37 3kal s ARG 391 Ca 0.40 -1.44 -0.05 0.00 -1.72 0.00 0.00 55.73 52.93 3kal s ARG 391 Cb 0.03 0.33 0.08 0.00 -0.45 0.00 0.00 34.95 34.94 3kal s ARG 391 CO 0.01 -0.44 0.29 -1.21 -0.68 0.00 0.00 175.30 173.27 3kal s GLU 392 N -4.08 0.20 0.00 3.54 0.41 -1.26 -4.83 118.70 112.67 3kal s GLU 392 Ca 0.29 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.57 3kal s GLU 392 Cb 0.05 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 3kal s GLU 392 CO 0.08 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 3kal n GLY 393 N 5.35 -0.51 0.00 -1.39 0.00 -1.26 -4.74 105.19 102.64 3kal n GLY 393 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kal n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kal n GLY 394 N 0.00 -1.78 0.00 -0.02 0.00 -1.26 -4.99 105.19 97.14 3kal n GLY 394 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3kal n GLY 394 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kal n GLY 395 N -2.26 3.08 0.13 -0.02 0.00 -1.26 -5.00 105.19 99.86 3kal n GLY 395 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 3kal n GLY 395 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kal h ASN 396 N 0.00 0.60 -2.99 1.61 2.35 -1.97 -3.47 115.58 111.71 3kal h ASN 396 Ca 0.00 -0.76 -0.51 0.00 -0.55 0.00 0.00 56.30 54.48 3kal h ASN 396 Cb 0.00 -0.20 0.22 0.00 0.05 0.00 0.00 38.32 38.40 3kal h ASN 396 CO 0.00 1.62 -0.80 0.59 -1.65 0.00 0.00 177.43 177.19 3kal n ASN 397 N -3.58 -2.32 -3.89 5.81 3.02 -1.26 -4.75 115.26 108.29 3kal n ASN 397 Ca -0.18 0.18 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 3kal n ASN 397 Cb 1.07 -1.11 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 3kal n ASN 397 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kal s ILE 398 N -2.33 0.29 0.14 2.41 1.01 -0.04 -4.99 121.20 117.70 3kal s ILE 398 Ca 0.56 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.16 3kal s ILE 398 Cb -0.18 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 3kal s ILE 398 CO 0.68 0.13 -0.03 -0.31 0.00 0.00 0.00 174.94 175.41 3kal s TYR 399 N 0.47 1.09 0.00 3.97 1.51 -1.26 -1.16 117.35 121.97 3kal s TYR 399 Ca -0.05 -0.98 0.00 0.00 -1.01 0.00 0.00 57.07 55.03 3kal s TYR 399 Cb -0.08 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 3kal s TYR 399 CO -0.01 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 3kal n GLY 400 N -0.16 1.82 0.18 0.71 0.00 -1.06 -2.60 105.19 104.08 3kal n GLY 400 Ca -0.09 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 3kal n GLY 400 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kal h ASP 401 N 0.00 -0.32 0.31 1.61 3.32 -1.99 -2.47 116.42 116.87 3kal h ASP 401 Ca 0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3kal h ASP 401 Cb 0.00 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kal h ASP 401 CO 0.00 -0.10 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.26 3kal h GLU 402 N -0.54 0.00 0.01 3.56 4.81 -1.92 -2.35 114.58 118.15 3kal h GLU 402 Ca -0.04 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3kal h GLU 402 Cb 0.40 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.78 3kal h GLU 402 CO 0.06 0.08 -0.32 1.25 -0.73 0.00 0.00 179.01 179.36 3kal h LEU 403 N 0.00 0.26 -0.29 1.64 6.46 -1.38 -1.15 115.31 120.85 3kal h LEU 403 Ca -0.00 -0.80 0.04 0.00 -0.12 0.00 0.00 57.88 57.00 3kal h LEU 403 Cb 0.25 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3kal h LEU 403 CO 0.01 1.03 0.06 -0.09 -0.62 0.00 0.00 178.44 178.83 3kal h ARG 404 N -0.47 0.16 -0.42 1.25 2.43 -1.22 0.12 114.38 116.23 3kal h ARG 404 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kal h ARG 404 Cb 1.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3kal h ARG 404 CO 0.06 0.10 0.28 0.93 -1.51 0.00 0.00 179.97 179.84 3kal h GLU 405 N 0.16 0.55 0.24 0.20 3.07 -1.48 -0.41 114.58 116.91 3kal h GLU 405 Ca 0.13 -0.03 -0.33 0.00 -0.50 0.00 0.00 59.36 58.63 3kal h GLU 405 Cb 0.14 -0.12 0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3kal h GLU 405 CO -0.17 0.37 -1.50 1.15 -1.40 0.00 0.00 179.01 177.46 3kal h THR 406 N 0.57 1.23 -0.66 1.13 2.02 -0.95 -3.22 112.91 113.02 3kal h THR 406 Ca 0.15 -2.65 -0.08 0.00 0.77 0.00 0.00 66.41 64.61 3kal h THR 406 Cb -0.07 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 3kal h THR 406 CO -0.03 0.81 0.12 -0.07 0.37 0.00 0.00 175.52 176.72 3kal h LEU 407 N 0.10 1.03 0.37 2.58 3.38 -0.47 -3.00 115.31 119.31 3kal h LEU 407 Ca -0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3kal h LEU 407 Cb 2.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 3kal h LEU 407 CO 0.25 1.02 -0.44 -0.07 0.09 0.00 0.00 178.44 179.29 3kal h LEU 408 N 1.02 -1.23 0.00 1.67 3.38 -1.22 -3.51 115.31 115.42 3kal h LEU 408 Ca 0.20 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kal h LEU 408 Cb 0.42 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3kal h LEU 408 CO 0.01 -0.56 0.00 0.29 0.09 0.00 0.00 178.44 178.27 3kal n LYS 409 N -5.06 2.61 -4.09 1.13 5.02 -1.14 -5.12 118.16 111.51 3kal n LYS 409 Ca -0.10 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.91 3kal n LYS 409 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 3kal n LYS 409 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kal n GLU 417 N 0.00 -2.53 0.08 1.97 4.71 -1.26 -5.08 120.64 118.53 3kal n GLU 417 Ca 0.00 0.30 -0.05 0.00 -0.01 0.00 0.00 57.16 57.40 3kal n GLU 417 Cb 0.00 -4.28 -0.07 0.00 -1.01 0.00 0.00 31.44 26.08 3kal n GLU 417 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 3kal h ASP 418 N -1.78 0.00 -0.00 1.62 3.04 -1.96 -3.31 116.42 114.02 3kal h ASP 418 Ca -0.64 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.15 3kal h ASP 418 Cb 1.38 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.67 3kal h ASP 418 CO 0.67 0.90 0.01 0.00 -2.04 0.00 0.00 179.24 178.77 3kal h ALA 419 N 1.10 1.23 -0.52 4.15 0.00 -1.94 0.18 119.26 123.46 3kal h ALA 419 Ca -0.01 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3kal h ALA 419 Cb 1.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3kal h ALA 419 CO 0.12 -0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.73 3kal h ALA 420 N 1.99 2.46 -2.89 0.00 0.00 -1.83 -3.37 119.26 115.62 3kal h ALA 420 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 3kal h ALA 420 Cb 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.70 3kal h ALA 420 CO -0.00 -0.61 -0.70 0.71 0.00 0.00 0.00 179.25 178.65 3kal s TYR 421 N -5.04 2.68 0.37 0.00 1.51 0.05 -3.17 117.35 113.76 3kal s TYR 421 Ca -0.05 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 55.89 3kal s TYR 421 Cb 0.20 -1.30 -0.07 0.00 -0.11 0.00 0.00 41.96 40.68 3kal s TYR 421 CO 0.73 0.53 -0.03 0.96 -1.11 0.00 0.00 175.55 176.63 3kal s ILE 422 N -1.77 2.21 -0.04 2.71 -4.36 -0.57 -4.29 121.20 115.09 3kal s ILE 422 Ca 0.26 -2.08 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 3kal s ILE 422 Cb -0.09 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 3kal s ILE 422 CO 0.16 -0.12 -0.14 -0.76 0.24 0.00 0.00 174.94 174.32 3kal s LEU 423 N -3.67 2.76 0.01 0.37 2.01 -0.33 -1.51 118.68 118.32 3kal s LEU 423 Ca 0.34 -0.21 0.02 0.00 0.01 0.00 0.00 54.13 54.30 3kal s LEU 423 Cb 0.05 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.66 3kal s LEU 423 CO 0.18 0.34 -0.07 -0.32 1.01 0.00 0.00 176.35 177.48 3kal s MET 424 N -0.83 0.53 -0.36 1.70 -2.45 0.10 -0.83 119.30 117.15 3kal s MET 424 Ca 0.12 -0.44 -0.40 0.00 -1.25 0.00 0.00 55.69 53.73 3kal s MET 424 Cb -0.11 -0.44 -0.15 0.00 1.25 0.00 0.00 34.83 35.38 3kal s MET 424 CO 0.01 0.11 1.98 0.94 1.05 0.00 0.00 175.02 179.11 3kal n GLN 425 N 2.35 0.82 -1.68 4.11 7.27 0.14 -0.16 117.38 130.24 3kal n GLN 425 Ca -0.17 0.26 -0.45 0.00 0.07 0.00 0.00 57.00 56.72 3kal n GLN 425 Cb 0.57 -2.07 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 3kal n GLN 425 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3kal n ARG 426 N 6.77 2.55 -3.80 3.69 0.63 -0.59 -4.71 116.66 121.21 3kal n ARG 426 Ca 0.38 0.93 -0.37 0.00 -0.92 0.00 0.00 57.85 57.87 3kal n ARG 426 Cb 0.12 -2.81 -0.06 0.00 0.45 0.00 0.00 32.46 30.15 3kal n ARG 426 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kal s ILE 427 N 3.40 5.40 -0.53 5.15 1.01 -1.26 -4.85 121.20 129.52 3kal s ILE 427 Ca 0.87 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.89 3kal s ILE 427 Cb -0.56 -3.47 0.15 0.00 0.01 0.00 0.00 42.46 38.59 3kal s ILE 427 CO 0.43 0.60 0.32 -0.36 0.00 0.00 0.00 174.94 175.94 3kal s PHE 428 N -1.05 2.60 0.94 3.97 0.40 -1.26 -5.05 117.98 118.53 3kal s PHE 428 Ca 0.17 -2.84 -0.11 0.00 -0.60 0.00 0.00 56.93 53.55 3kal s PHE 428 Cb -0.13 -2.22 0.16 0.00 0.51 0.00 0.00 43.02 41.34 3kal s PHE 428 CO 0.06 -0.71 1.10 -2.14 0.70 0.00 0.00 175.22 174.23 3kal s PRO 429 N -0.32 0.82 0.19 0.24 0.02 -1.24 -1.15 135.00 133.56 3kal s PRO 429 Ca 0.21 1.20 -0.32 0.00 0.02 0.00 0.00 61.00 62.11 3kal s PRO 429 Cb -0.16 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 3kal s PRO 429 CO -0.07 -2.65 1.69 0.00 -0.33 0.00 0.00 177.00 175.64 3kal s ALA 430 N -2.70 3.89 0.72 -1.55 0.00 -1.26 -4.75 121.76 116.10 3kal s ALA 430 Ca 0.66 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 3kal s ALA 430 Cb -0.21 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.25 3kal s ALA 430 CO 0.59 -0.91 1.08 0.99 0.00 0.00 0.00 175.76 177.52 3kal s THR 431 N 1.28 3.56 -0.01 0.00 2.01 -1.26 -4.76 115.64 116.47 3kal s THR 431 Ca 0.74 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 3kal s THR 431 Cb -0.48 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 68.65 3kal s THR 431 CO 0.32 -0.66 0.18 -0.94 -0.69 0.00 0.00 174.62 172.82 3kal s SER 432 N -4.12 -0.05 0.31 3.53 1.04 -0.40 -4.91 113.70 109.10 3kal s SER 432 Ca 0.59 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.68 3kal s SER 432 Cb -0.13 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.15 3kal s SER 432 CO 0.53 -0.32 1.35 -2.84 0.98 0.00 0.00 173.24 172.94 3kal s PRO 433 N -1.09 4.32 0.05 4.02 0.02 -1.26 -0.57 135.00 140.49 3kal s PRO 433 Ca -0.12 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.18 3kal s PRO 433 Cb -0.06 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 3kal s PRO 433 CO 0.02 -0.27 -0.09 0.00 -0.33 0.00 0.00 177.00 176.32 3kal s ALA 434 N -0.80 0.74 -0.33 -1.55 0.00 -0.44 -4.64 121.76 114.74 3kal s ALA 434 Ca 0.52 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3kal s ALA 434 Cb -0.41 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3kal s ALA 434 CO 0.51 0.01 0.20 0.42 0.00 0.00 0.00 175.76 176.89 3kal s ILE 435 N -1.49 4.94 -0.24 0.00 -1.09 -1.26 -1.86 121.20 120.19 3kal s ILE 435 Ca -0.07 -0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 3kal s ILE 435 Cb -0.09 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 3kal s ILE 435 CO 0.01 0.02 0.14 -0.76 -1.23 0.00 0.00 174.94 173.12 3kal s LEU 436 N 1.67 3.97 -0.19 2.97 1.43 -0.09 -1.24 118.68 127.20 3kal s LEU 436 Ca 0.05 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3kal s LEU 436 Cb -0.17 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3kal s LEU 436 CO 0.08 0.04 -0.04 -0.69 0.23 0.00 0.00 176.35 175.98 3kal s VAL 437 N 1.19 3.63 0.01 -1.59 1.01 0.12 -1.30 120.40 123.47 3kal s VAL 437 Ca 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3kal s VAL 437 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3kal s VAL 437 CO 0.05 0.46 -0.04 -0.13 0.00 0.00 0.00 175.10 175.44 3kal s ARG 438 N 0.89 0.29 -0.37 2.72 0.52 -0.03 -1.58 118.95 121.39 3kal s ARG 438 Ca -0.00 -0.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 3kal s ARG 438 Cb -0.15 -0.20 0.02 0.00 0.52 0.00 0.00 34.95 35.14 3kal s ARG 438 CO 0.01 0.05 0.04 -3.47 0.02 0.00 0.00 175.30 171.96 3kal n ASP 439 N 2.62 0.00 0.00 0.23 4.64 -1.26 0.01 116.55 122.79 3kal n ASP 439 Ca -0.15 -0.28 0.00 0.00 -1.38 0.00 0.00 54.79 52.98 3kal n ASP 439 Cb 0.58 -0.35 0.00 0.00 -1.04 0.00 0.00 41.12 40.31 3kal n ASP 439 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kal n GLY 440 N -1.10 0.80 3.49 0.27 0.00 -1.26 -5.02 105.19 102.36 3kal n GLY 440 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3kal n GLY 440 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kal s ASN 441 N -2.93 3.94 0.11 1.61 0.01 0.10 -5.10 114.94 112.68 3kal s ASN 441 Ca 0.00 -0.47 0.10 0.00 -0.71 0.00 0.00 52.86 51.78 3kal s ASN 441 Cb 0.00 -0.63 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 3kal s ASN 441 CO 0.00 0.21 -0.24 -1.66 -1.51 0.00 0.00 177.10 173.90 3kal s TRP 442 N -1.06 2.38 0.13 2.20 1.48 -1.26 -0.85 118.94 121.96 3kal s TRP 442 Ca 0.17 -0.35 -0.01 0.00 -1.06 0.00 0.00 56.10 54.85 3kal s TRP 442 Cb -0.11 -1.31 -0.04 0.00 -1.16 0.00 0.00 33.47 30.85 3kal s TRP 442 CO 0.09 0.31 0.06 0.34 -4.06 0.00 0.00 176.95 173.68 3kal s ASP 443 N -1.89 0.30 0.13 -2.66 -1.08 -0.42 -4.97 116.67 106.09 3kal s ASP 443 Ca 0.15 -1.20 -0.05 0.00 -0.52 0.00 0.00 52.55 50.93 3kal s ASP 443 Cb -0.10 0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 41.60 3kal s ASP 443 CO 0.06 -0.73 0.36 0.42 0.52 0.00 0.00 175.17 175.80 3kal s THR 444 N -4.05 5.18 0.22 1.71 -4.23 -1.26 -0.91 115.64 112.31 3kal s THR 444 Ca 0.24 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 3kal s THR 444 Cb 0.07 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.33 3kal s THR 444 CO 0.02 0.07 0.80 -0.83 -0.54 0.00 0.00 174.62 174.13 3kal s GLY 445 N -2.38 -0.18 -0.12 3.99 0.00 -0.78 -4.90 107.32 102.95 3kal s GLY 445 Ca 0.40 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.05 3kal s GLY 445 CO 0.24 -0.03 -0.17 0.30 0.00 0.00 0.00 173.10 173.44 3kal s HIS 446 N -3.68 2.21 0.32 1.90 3.76 -1.26 -1.33 115.29 117.21 3kal s HIS 446 Ca 0.11 -1.10 0.07 0.00 -0.15 0.00 0.00 55.06 53.99 3kal s HIS 446 Cb -0.04 -1.57 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 3kal s HIS 446 CO 0.04 -0.55 -0.05 0.14 -0.85 0.00 0.00 174.74 173.47 3kal s VAL 447 N 1.00 1.85 0.19 -0.90 -7.23 0.27 -0.66 120.40 114.92 3kal s VAL 447 Ca -0.05 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.08 3kal s VAL 447 Cb -0.15 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 3kal s VAL 447 CO -0.03 -0.20 -0.17 0.27 -0.31 0.00 0.00 175.10 174.66 3kal s ILE 448 N -2.86 1.86 -0.05 -0.62 -4.36 -0.02 -1.28 121.20 113.87 3kal s ILE 448 Ca 0.32 -2.07 0.06 0.00 -0.26 0.00 0.00 60.65 58.70 3kal s ILE 448 Cb 0.05 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3kal s ILE 448 CO 0.15 -0.42 -0.24 -0.44 0.24 0.00 0.00 174.94 174.23 3kal s SER 449 N -2.97 3.17 -0.22 4.36 0.01 -1.26 -1.04 113.70 115.75 3kal s SER 449 Ca 0.19 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.99 3kal s SER 449 Cb -0.04 -0.78 0.05 0.00 0.21 0.00 0.00 66.02 65.46 3kal s SER 449 CO 0.07 0.26 -0.07 -0.70 0.41 0.00 0.00 173.24 173.22 3kal s GLU 450 N -0.26 1.75 -0.23 12.44 2.12 0.48 -4.59 118.70 130.40 3kal s GLU 450 Ca -0.00 -0.92 -0.24 0.00 0.36 0.00 0.00 54.97 54.17 3kal s GLU 450 Cb -0.13 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 3kal s GLU 450 CO 0.03 -0.53 0.79 0.00 -0.54 0.00 0.00 175.26 175.01 3kal s ALA 451 N 1.40 3.62 -0.30 6.30 0.00 -0.44 -1.17 121.76 131.18 3kal s ALA 451 Ca -0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 3kal s ALA 451 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3kal s ALA 451 CO -0.07 -0.85 0.18 0.20 0.00 0.00 0.00 175.76 175.22 3kal s GLY 452 N 1.32 1.90 -0.31 0.00 0.00 0.13 -0.34 107.32 110.03 3kal s GLY 452 Ca 0.34 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 3kal s GLY 452 CO 0.08 0.67 0.08 -0.42 0.00 0.00 0.00 173.10 173.52 3kal s ILE 453 N 1.70 3.87 0.34 0.90 -1.09 0.73 -0.91 121.20 126.74 3kal s ILE 453 Ca 0.06 -0.84 -0.27 0.00 -2.23 0.00 0.00 60.65 57.38 3kal s ILE 453 Cb -0.16 -3.05 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 3kal s ILE 453 CO 0.09 0.01 1.06 -0.36 -1.23 0.00 0.00 174.94 174.51 3kal s PHE 454 N 1.46 3.44 0.01 3.97 0.08 0.83 -1.16 117.98 126.62 3kal s PHE 454 Ca 0.01 1.69 0.09 0.00 0.12 0.00 0.00 56.93 58.83 3kal s PHE 454 Cb -0.18 -3.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 3kal s PHE 454 CO 0.02 -0.52 -0.26 0.20 -0.10 0.00 0.00 175.22 174.57 3kal s GLY 455 N -1.26 1.31 -0.01 4.36 0.00 -0.11 -1.21 107.32 110.40 3kal s GLY 455 Ca 0.51 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 44.11 3kal s GLY 455 CO 0.33 -1.03 -0.20 -0.51 0.00 0.00 0.00 173.10 171.70 3kal s THR 456 N -0.70 1.55 -0.09 0.90 -4.23 -0.79 -0.30 115.64 111.98 3kal s THR 456 Ca 0.11 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.71 3kal s THR 456 Cb -0.10 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.48 3kal s THR 456 CO 0.01 0.44 0.22 -0.47 -0.54 0.00 0.00 174.62 174.27 3kal s TYR 457 N -0.46 -0.25 -0.20 3.99 5.04 -0.20 -0.67 117.35 124.60 3kal s TYR 457 Ca 0.08 0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 55.27 3kal s TYR 457 Cb -0.08 0.08 0.10 0.00 0.35 0.00 0.00 41.96 42.41 3kal s TYR 457 CO -0.01 -0.13 0.37 -1.17 -1.34 0.00 0.00 175.55 173.27 3kal s LEU 458 N 0.28 -0.55 -0.38 6.97 2.96 0.01 -0.16 118.68 127.81 3kal s LEU 458 Ca -0.01 0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 54.43 3kal s LEU 458 Cb -0.03 1.11 0.02 0.00 0.50 0.00 0.00 46.19 47.79 3kal s LEU 458 CO -0.01 -0.25 0.25 -0.60 -1.32 0.00 0.00 176.35 174.42 3kal s ARG 459 N 2.54 3.01 0.00 1.98 3.52 -1.26 -0.16 118.95 128.58 3kal s ARG 459 Ca 0.03 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3kal s ARG 459 Cb -0.13 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 3kal s ARG 459 CO -0.13 -0.68 0.00 -1.71 -0.81 0.00 0.00 175.30 171.98 3kal n ASN 460 N 5.09 0.00 0.00 -2.12 2.85 0.83 -1.39 115.26 120.51 3kal n ASN 460 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 3kal n ASN 460 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 3kal n ASN 460 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3kal n LYS 461 N -1.10 0.00 0.00 1.20 4.76 -1.26 -4.44 118.16 117.32 3kal n LYS 461 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 3kal n LYS 461 Cb 0.00 -0.12 0.02 0.00 -1.84 0.00 0.00 35.03 33.09 3kal n LYS 461 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kal n ASP 462 N -1.74 1.97 -4.55 4.39 5.75 -1.26 -4.91 116.55 116.20 3kal n ASP 462 Ca 0.00 -1.49 -0.40 0.00 -0.01 0.00 0.00 54.79 52.89 3kal n ASP 462 Cb 0.00 0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 40.33 3kal n ASP 462 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3kal s LYS 463 N -1.90 3.61 -0.35 0.11 2.47 -1.26 -5.02 119.74 117.40 3kal s LYS 463 Ca 0.17 -0.42 -0.16 0.00 -1.56 0.00 0.00 55.97 54.00 3kal s LYS 463 Cb 0.15 -3.78 -0.01 0.00 -1.46 0.00 0.00 37.83 32.72 3kal s LYS 463 CO 0.39 -0.47 0.39 0.96 0.16 0.00 0.00 175.35 176.78 3kal s ILE 464 N 1.94 5.14 -0.04 5.43 -5.25 -1.26 -0.12 121.20 127.04 3kal s ILE 464 Ca 0.10 0.09 0.09 0.00 -0.99 0.00 0.00 60.65 59.94 3kal s ILE 464 Cb -0.17 -3.85 -0.23 0.00 2.95 0.00 0.00 42.46 41.16 3kal s ILE 464 CO 0.11 -0.12 0.69 0.40 -1.79 0.00 0.00 174.94 174.23 3kal h ILE 465 N 5.56 0.90 -3.18 8.37 2.04 -0.92 -3.47 117.51 126.82 3kal h ILE 465 Ca -0.29 -2.72 -0.25 0.00 1.00 0.00 0.00 64.86 62.59 3kal h ILE 465 Cb 1.14 2.48 -0.33 0.00 -0.74 0.00 0.00 36.82 39.37 3kal h ILE 465 CO 0.71 0.59 -0.60 -0.63 0.00 0.00 0.00 178.15 178.22 3kal s ILE 466 N -2.60 -0.12 -0.38 -0.67 1.01 -0.84 -4.93 121.20 112.66 3kal s ILE 466 Ca -0.06 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3kal s ILE 466 Cb 0.08 -0.27 0.16 0.00 0.01 0.00 0.00 42.46 42.44 3kal s ILE 466 CO 0.82 0.10 0.46 0.21 0.00 0.00 0.00 174.94 176.52 3kal s ASN 467 N 1.54 0.32 0.02 3.58 2.47 -1.25 -0.81 114.94 120.81 3kal s ASN 467 Ca -0.05 -1.35 0.03 0.00 0.42 0.00 0.00 52.86 51.90 3kal s ASN 467 Cb -0.12 1.00 -0.01 0.00 -1.45 0.00 0.00 41.25 40.67 3kal s ASN 467 CO -0.06 -0.23 -0.09 0.20 -3.72 0.00 0.00 177.10 173.20 3kal s ASN 468 N 1.54 0.99 0.05 -4.21 0.02 0.15 -4.78 114.94 108.70 3kal s ASN 468 Ca 0.17 -0.33 -0.31 0.00 -1.02 0.00 0.00 52.86 51.37 3kal s ASN 468 Cb -0.12 -0.05 -0.06 0.00 0.02 0.00 0.00 41.25 41.05 3kal s ASN 468 CO -0.04 -0.02 1.21 -0.70 0.02 0.00 0.00 177.10 177.57 3kal s GLU 469 N -0.84 4.42 -0.41 -0.60 -6.30 -1.26 -1.89 118.70 111.82 3kal s GLU 469 Ca -0.02 1.78 0.11 0.00 -2.50 0.00 0.00 54.97 54.34 3kal s GLU 469 Cb -0.06 -3.37 0.42 0.00 0.00 0.00 0.00 34.13 31.12 3kal s GLU 469 CO 0.00 -0.29 0.98 0.43 0.02 0.00 0.00 175.26 176.41 3kal n SER 470 N 4.08 2.99 0.00 -1.70 7.64 -0.35 -4.90 113.62 121.37 3kal n SER 470 Ca 0.09 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.72 3kal n SER 470 Cb 0.46 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3kal n SER 470 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kal n GLY 471 N -0.20 -1.70 3.69 0.23 0.00 -1.26 -3.90 105.19 102.05 3kal n GLY 471 Ca 0.25 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 3kal n GLY 471 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kal s TYR 472 N 0.00 0.06 0.05 1.61 -0.85 -1.26 -0.12 117.35 116.84 3kal s TYR 472 Ca 0.00 -0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 56.07 3kal s TYR 472 Cb 0.00 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3kal s TYR 472 CO 0.00 -1.08 0.02 1.41 -1.52 0.00 0.00 175.55 174.38 3kal s MET 473 N -3.95 0.63 -0.01 -3.49 1.75 -0.08 -4.16 119.30 109.99 3kal s MET 473 Ca 0.16 -1.09 -0.00 0.00 -1.25 0.00 0.00 55.69 53.50 3kal s MET 473 Cb -0.03 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.87 3kal s MET 473 CO 0.06 -0.14 0.01 0.54 -0.65 0.00 0.00 175.02 174.85 3kal s VAL 474 N -3.65 -0.00 -0.13 10.11 0.11 -1.23 0.19 120.40 125.80 3kal s VAL 474 Ca 0.04 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3kal s VAL 474 Cb 0.06 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3kal s VAL 474 CO -0.09 0.00 0.00 -0.60 -3.33 0.00 0.00 175.10 171.09 3kal s ARG 475 N 0.05 3.45 -0.01 1.54 3.52 -0.32 -1.10 118.95 126.08 3kal s ARG 475 Ca -0.00 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 3kal s ARG 475 Cb -0.01 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 3kal s ARG 475 CO -0.00 0.45 -0.14 0.99 -0.81 0.00 0.00 175.30 175.79 3kal s THR 476 N -0.18 1.08 0.08 4.11 2.01 0.05 -0.39 115.64 122.40 3kal s THR 476 Ca 0.05 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 3kal s THR 476 Cb -0.12 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3kal s THR 476 CO 0.02 0.31 0.13 -1.59 -0.69 0.00 0.00 174.62 172.80 3kal s LYS 477 N -0.28 0.78 0.17 4.92 -2.85 -0.21 -0.21 119.74 122.06 3kal s LYS 477 Ca 0.04 -1.01 -0.33 0.00 -1.00 0.00 0.00 55.97 53.67 3kal s LYS 477 Cb -0.06 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 35.88 3kal s LYS 477 CO -0.00 -0.23 1.51 -0.89 0.10 0.00 0.00 175.35 175.84 3kal n ILE 478 N 0.01 0.24 -0.30 3.79 2.08 -1.26 -0.84 119.36 123.08 3kal n ILE 478 Ca -0.15 -0.06 0.23 0.00 0.56 0.00 0.00 62.75 63.34 3kal n ILE 478 Cb 0.62 -1.45 0.54 0.00 -0.75 0.00 0.00 39.64 38.60 3kal n ILE 478 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3kal h SER 479 N 5.37 0.37 0.08 4.38 4.64 -1.18 0.15 113.55 127.36 3kal h SER 479 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kal h SER 479 Cb 1.27 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kal h SER 479 CO 0.85 0.09 -0.24 -1.54 -0.87 0.00 0.00 176.83 175.12 3kal n SER 480 N -4.53 1.67 -4.76 4.97 3.41 -1.26 -4.83 113.62 108.29 3kal n SER 480 Ca 0.23 -1.34 -0.39 0.00 -0.26 0.00 0.00 58.87 57.11 3kal n SER 480 Cb 0.87 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 65.03 3kal n SER 480 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kal s SER 481 N -2.33 5.85 -0.08 4.04 0.01 0.04 -4.96 113.70 116.26 3kal s SER 481 Ca 0.26 2.75 -0.00 0.00 1.31 0.00 0.00 55.95 60.27 3kal s SER 481 Cb 0.19 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 3kal s SER 481 CO 0.47 -1.18 0.01 1.88 0.41 0.00 0.00 173.24 174.83 3kal h TYR 482 N 2.15 -0.01 -3.92 2.43 0.05 -1.92 -3.47 116.97 112.29 3kal h TYR 482 Ca -0.50 -0.00 -0.46 0.00 0.05 0.00 0.00 58.73 57.81 3kal h TYR 482 Cb 1.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 3kal h TYR 482 CO 0.50 -0.01 0.35 -1.21 -1.05 0.00 0.00 178.16 176.74 3kal s GLU 483 N -1.50 4.50 -0.06 4.88 2.02 -1.26 -4.99 118.70 122.30 3kal s GLU 483 Ca -0.00 1.30 0.14 0.00 0.02 0.00 0.00 54.97 56.42 3kal s GLU 483 Cb 0.00 -2.68 0.26 0.00 0.10 0.00 0.00 34.13 31.82 3kal s GLU 483 CO 0.00 0.21 1.12 0.41 0.02 0.00 0.00 175.26 177.02 3kal n GLY 484 N 0.33 2.21 3.71 -1.39 0.00 -1.26 -4.74 105.19 104.06 3kal n GLY 484 Ca 0.03 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3kal n GLY 484 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kal s GLY 485 N -2.03 1.63 -0.03 -0.02 0.00 -1.26 -3.64 107.32 101.97 3kal s GLY 485 Ca 0.23 1.29 -0.22 0.00 0.00 0.00 0.00 44.72 46.02 3kal s GLY 485 CO -0.06 2.63 1.01 -2.08 0.00 0.00 0.00 173.10 174.60 3kal h VAL 486 N 4.22 0.74 -0.67 1.40 2.07 -1.93 -1.17 116.25 120.91 3kal h VAL 486 Ca -0.42 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 3kal h VAL 486 Cb 1.20 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3kal h VAL 486 CO 0.91 0.16 0.15 -0.07 0.02 0.00 0.00 177.57 178.74 3kal h LEU 487 N -0.83 1.03 -1.88 2.57 3.38 -1.92 -2.52 115.31 115.14 3kal h LEU 487 Ca -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kal h LEU 487 Cb 0.51 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kal h LEU 487 CO 0.05 1.00 0.11 -0.65 0.09 0.00 0.00 178.44 179.05 3kal h PRO 488 N 1.01 0.00 0.00 1.13 0.11 -1.96 -3.46 132.00 128.83 3kal h PRO 488 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3kal h PRO 488 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3kal h PRO 488 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3kal n GLY 489 N -1.22 1.19 0.01 -0.55 0.00 -0.95 -4.98 105.19 98.69 3kal n GLY 489 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3kal n GLY 489 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kal n PHE 490 N -1.32 0.00 -4.21 1.61 3.01 -0.50 -5.03 117.46 111.02 3kal n PHE 490 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 3kal n PHE 490 Cb 0.00 -0.37 -0.10 0.00 -0.01 0.00 0.00 39.48 39.00 3kal n PHE 490 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3kal s GLY 491 N -3.77 1.42 0.14 1.37 0.00 -0.83 -4.55 107.32 101.10 3kal s GLY 491 Ca -0.05 -1.69 0.07 0.00 0.00 0.00 0.00 44.72 43.04 3kal s GLY 491 CO 0.60 -1.42 -0.15 -1.34 0.00 0.00 0.00 173.10 170.79 3kal s VAL 492 N -4.09 1.47 0.50 1.40 -7.23 0.70 -4.43 120.40 108.72 3kal s VAL 492 Ca 0.37 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 3kal s VAL 492 Cb 0.07 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3kal s VAL 492 CO 0.11 -0.44 0.87 0.68 -0.31 0.00 0.00 175.10 176.01 3kal s VAL 493 N -2.31 4.77 0.38 1.32 -7.23 0.06 -0.77 120.40 116.61 3kal s VAL 493 Ca 0.12 0.65 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 3kal s VAL 493 Cb -0.04 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.13 3kal s VAL 493 CO 0.04 -0.81 0.65 -0.62 -0.31 0.00 0.00 175.10 174.05 3kal s ASP 494 N -3.71 0.53 0.00 4.85 -1.08 -0.26 -0.88 116.67 116.12 3kal s ASP 494 Ca 0.52 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 3kal s ASP 494 Cb -0.10 0.78 0.00 0.00 -1.46 0.00 0.00 42.92 42.13 3kal s ASP 494 CO 0.41 -1.54 0.00 0.35 0.52 0.00 0.00 175.17 174.92 3kal n THR 495 N -0.57 0.00 -4.01 1.71 -2.24 -1.26 -3.53 114.28 104.38 3kal n THR 495 Ca -0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 3kal n THR 495 Cb 0.61 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 3kal n THR 495 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kal s VAL 496 N 1.74 0.18 -0.23 2.28 -7.23 -1.26 -4.36 120.40 111.53 3kal s VAL 496 Ca 0.00 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3kal s VAL 496 Cb 0.00 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.74 3kal s VAL 496 CO 0.00 -0.81 -0.10 -0.47 -0.31 0.00 0.00 175.10 173.41 3kal s TYR 497 N -3.37 2.99 0.05 2.82 6.14 0.69 -4.31 117.35 122.36 3kal s TYR 497 Ca 0.02 -1.60 -0.30 0.00 0.64 0.00 0.00 57.07 55.83 3kal s TYR 497 Cb 0.04 -2.01 -0.04 0.00 0.42 0.00 0.00 41.96 40.36 3kal s TYR 497 CO -0.08 -0.75 1.02 -0.51 0.64 0.00 0.00 175.55 175.87 3kal s LEU 498 N 1.31 4.41 0.00 6.97 1.43 0.89 -1.58 118.68 132.11 3kal s LEU 498 Ca 0.01 1.79 0.21 0.00 -1.03 0.00 0.00 54.13 55.11 3kal s LEU 498 Cb -0.16 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.65 3kal s LEU 498 CO -0.07 -0.25 1.17 0.35 0.23 0.00 0.00 176.35 177.78