#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkb h ASN 2 N 0.00 0.94 -3.36 1.61 2.35 -1.86 -3.34 115.58 111.92 1kkb h ASN 2 Ca 0.00 -0.59 -0.76 0.00 -0.55 0.00 0.00 56.30 54.40 1kkb h ASN 2 Cb 0.00 -0.27 -0.23 0.00 0.05 0.00 0.00 38.32 37.86 1kkb h ASN 2 CO 0.00 1.36 0.28 0.20 -1.65 0.00 0.00 177.43 177.62 1kkb s ASN 3 N -7.00 6.66 -0.18 5.81 0.01 -1.26 -0.06 114.94 118.92 1kkb s ASN 3 Ca -0.11 -2.39 -0.09 0.00 -0.71 0.00 0.00 52.86 49.56 1kkb s ASN 3 Cb 0.09 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 1kkb s ASN 3 CO 0.89 -0.75 0.14 -0.69 -1.51 0.00 0.00 177.10 175.18 1kkb s VAL 4 N 1.06 5.43 -0.17 1.60 1.01 -0.49 0.10 120.40 128.95 1kkb s VAL 4 Ca 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1kkb s VAL 4 Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1kkb s VAL 4 CO -0.07 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1kkb s VAL 5 N 0.05 3.60 -0.24 2.92 1.01 0.18 -2.08 120.40 125.84 1kkb s VAL 5 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1kkb s VAL 5 Cb -0.11 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1kkb s VAL 5 CO -0.00 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 1kkb s VAL 6 N 0.63 2.63 0.11 2.92 1.01 -0.83 0.22 120.40 127.10 1kkb s VAL 6 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1kkb s VAL 6 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1kkb s VAL 6 CO 0.02 0.24 0.03 -1.48 0.00 0.00 0.00 175.10 173.91 1kkb s LEU 7 N 1.29 1.98 -0.19 3.92 0.05 -0.37 -1.70 118.68 123.66 1kkb s LEU 7 Ca -0.00 -1.15 -0.28 0.00 0.05 0.00 0.00 54.13 52.75 1kkb s LEU 7 Cb -0.16 0.25 -0.00 0.00 -2.05 0.00 0.00 46.19 44.23 1kkb s LEU 7 CO -0.06 -0.69 0.98 -0.83 -0.55 0.00 0.00 176.35 175.20 1kkb s GLY 8 N -3.02 1.94 0.22 -3.48 0.00 -1.26 -1.25 107.32 100.47 1kkb s GLY 8 Ca 0.20 0.18 0.25 0.00 0.00 0.00 0.00 44.72 45.35 1kkb s GLY 8 CO -0.01 2.00 1.67 -0.91 0.00 0.00 0.00 173.10 175.85 1kkb h THR 9 N 5.32 0.00 0.00 0.90 1.35 -1.84 0.71 112.91 119.35 1kkb h THR 9 Ca -0.24 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1kkb h THR 9 Cb 1.10 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1kkb h THR 9 CO 0.91 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.18 1kkb n GLN 10 N -2.35 0.00 -1.35 4.72 6.02 -1.26 -4.43 117.38 118.72 1kkb n GLN 10 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 1kkb n GLN 10 Cb 0.45 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.82 1kkb n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1kkb n TRP 11 N 0.00 1.41 -0.14 1.08 8.01 -1.26 -1.02 117.44 125.51 1kkb n TRP 11 Ca 0.00 -1.86 0.02 0.00 -1.31 0.00 0.00 57.50 54.35 1kkb n TRP 11 Cb 0.00 -0.29 -0.01 0.00 -2.01 0.00 0.00 31.31 29.00 1kkb n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kkb n GLY 12 N -0.89 -1.68 2.40 6.99 0.00 -1.17 -4.41 105.19 106.42 1kkb n GLY 12 Ca 0.31 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1kkb n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkb n ASP 13 N -2.01 -5.38 0.15 1.61 8.00 -1.26 -4.88 116.55 112.78 1kkb n ASP 13 Ca -0.00 0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.71 1kkb n ASP 13 Cb 0.07 -4.45 0.12 0.00 -0.02 0.00 0.00 41.12 36.84 1kkb n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kkb h GLU 14 N 0.00 0.00 0.00 -1.24 3.07 -1.90 -3.48 114.58 111.02 1kkb h GLU 14 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1kkb h GLU 14 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1kkb h GLU 14 CO 0.53 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.55 1kkb n GLY 15 N 1.17 0.70 0.15 -3.84 0.00 -1.26 -4.45 105.19 97.65 1kkb n GLY 15 Ca 0.02 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1kkb n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkb h LYS 16 N 0.00 0.44 -0.43 1.61 1.57 -1.94 -3.34 116.57 114.49 1kkb h LYS 16 Ca 0.00 -0.76 0.09 0.00 -1.87 0.00 0.00 60.65 58.11 1kkb h LYS 16 Cb 0.00 0.28 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 1kkb h LYS 16 CO 0.00 1.36 -0.15 0.78 -0.57 0.00 0.00 179.45 180.87 1kkb h GLY 17 N 0.52 0.22 1.01 3.86 0.00 -1.88 0.08 103.07 106.88 1kkb h GLY 17 Ca -0.32 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1kkb h GLY 17 CO 0.21 -0.18 0.51 1.70 0.00 0.00 0.00 176.54 178.78 1kkb h LYS 18 N -0.06 0.85 0.05 4.80 3.64 -1.73 0.28 116.57 124.41 1kkb h LYS 18 Ca 0.21 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.26 1kkb h LYS 18 Cb 0.38 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1kkb h LYS 18 CO -0.47 0.56 -1.11 0.82 -2.27 0.00 0.00 179.45 176.98 1kkb h ILE 19 N 0.88 1.31 0.55 2.00 1.08 -1.45 0.06 117.51 121.94 1kkb h ILE 19 Ca 0.33 -2.41 -0.03 0.00 -0.39 0.00 0.00 64.86 62.37 1kkb h ILE 19 Cb 0.19 2.53 0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1kkb h ILE 19 CO -0.11 0.73 -0.26 0.58 -0.69 0.00 0.00 178.15 178.40 1kkb h VAL 20 N 0.31 0.45 -0.84 1.67 2.07 -0.41 0.80 116.25 120.29 1kkb h VAL 20 Ca -0.14 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1kkb h VAL 20 Cb 1.77 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1kkb h VAL 20 CO 0.21 0.01 0.46 -0.78 0.02 0.00 0.00 177.57 177.49 1kkb h ASP 21 N -0.78 0.61 0.13 0.57 3.58 -1.01 -0.47 116.42 119.05 1kkb h ASP 21 Ca -0.08 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1kkb h ASP 21 Cb 0.58 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1kkb h ASP 21 CO 0.12 0.31 -0.09 0.25 -2.88 0.00 0.00 179.24 176.96 1kkb h LEU 22 N 0.71 -0.22 -1.45 2.28 5.85 -0.62 -3.27 115.31 118.60 1kkb h LEU 22 Ca 0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1kkb h LEU 22 Cb 0.51 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1kkb h LEU 22 CO -0.30 -0.13 0.00 -0.07 -0.34 0.00 0.00 178.44 177.60 1kkb h LEU 23 N -0.20 0.00 -0.05 2.25 -0.00 -0.64 -3.25 115.31 113.42 1kkb h LEU 23 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1kkb h LEU 23 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1kkb h LEU 23 CO 0.01 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 178.80 1kkb n THR 24 N -2.56 1.76 -0.35 0.22 -2.24 -0.20 -3.91 114.28 107.00 1kkb n THR 24 Ca -0.00 0.45 0.10 0.00 -2.27 0.00 0.00 64.05 62.34 1kkb n THR 24 Cb 0.16 -1.40 0.22 0.00 -2.10 0.00 0.00 70.33 67.21 1kkb n THR 24 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1kkb h GLU 25 N 0.00 0.01 -0.03 -0.78 4.81 -1.77 -0.50 114.58 116.33 1kkb h GLU 25 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kkb h GLU 25 Cb 0.05 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1kkb h GLU 25 CO 0.00 0.00 -0.05 0.54 -0.73 0.00 0.00 179.01 178.77 1kkb n ARG 26 N -5.55 2.05 -2.96 1.92 1.74 -1.25 -4.99 116.66 107.62 1kkb n ARG 26 Ca 0.20 -1.75 -0.38 0.00 -0.77 0.00 0.00 57.85 55.14 1kkb n ARG 26 Cb 0.64 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 1kkb n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kkb s ALA 27 N -1.95 3.39 -0.12 7.54 0.00 -0.20 -4.56 121.76 125.87 1kkb s ALA 27 Ca 0.25 0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.67 1kkb s ALA 27 Cb 0.19 -2.98 -0.24 0.00 0.00 0.00 0.00 23.12 20.10 1kkb s ALA 27 CO 0.31 0.28 0.36 1.17 0.00 0.00 0.00 175.76 177.88 1kkb n LYS 28 N 1.19 0.67 -4.14 0.00 0.00 -0.89 -4.20 118.16 110.79 1kkb n LYS 28 Ca -0.03 0.19 -0.15 0.00 0.00 0.00 0.00 58.31 58.31 1kkb n LYS 28 Cb 0.49 -1.68 -0.12 0.00 0.00 0.00 0.00 35.03 33.72 1kkb n LYS 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1kkb s TYR 29 N -2.55 0.81 -0.05 5.64 2.02 -1.21 0.63 117.35 122.64 1kkb s TYR 29 Ca -0.12 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1kkb s TYR 29 Cb 0.07 -0.48 0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1kkb s TYR 29 CO 0.80 -0.03 -0.10 0.08 -1.57 0.00 0.00 175.55 174.72 1kkb s VAL 30 N -1.07 0.95 -0.04 0.71 1.01 -0.87 -0.80 120.40 120.30 1kkb s VAL 30 Ca -0.05 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1kkb s VAL 30 Cb -0.08 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1kkb s VAL 30 CO 0.01 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.60 1kkb s VAL 31 N 0.53 1.06 -0.16 2.92 1.01 0.23 0.69 120.40 126.67 1kkb s VAL 31 Ca -0.10 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1kkb s VAL 31 Cb -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1kkb s VAL 31 CO 0.02 0.32 0.25 -0.13 0.00 0.00 0.00 175.10 175.57 1kkb s ARG 32 N 0.18 4.21 0.00 2.72 1.81 -0.25 0.12 118.95 127.73 1kkb s ARG 32 Ca -0.04 0.03 0.16 0.00 -1.72 0.00 0.00 55.73 54.15 1kkb s ARG 32 Cb -0.10 -3.41 -0.00 0.00 -0.45 0.00 0.00 34.95 30.98 1kkb s ARG 32 CO 0.01 0.28 0.83 2.48 -0.68 0.00 0.00 175.30 178.23 1kkb n TYR 33 N 3.47 0.00 -3.93 -0.53 0.18 -1.24 -1.47 117.16 113.64 1kkb n TYR 33 Ca -0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.65 1kkb n TYR 33 Cb 0.52 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.50 1kkb n TYR 33 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1kkb n GLN 34 N -0.13 0.37 0.00 -3.48 -0.00 -1.26 -3.93 117.38 108.95 1kkb n GLN 34 Ca 0.06 -1.01 0.00 0.00 -0.00 0.00 0.00 57.00 56.05 1kkb n GLN 34 Cb 0.33 1.48 0.00 0.00 -0.00 0.00 0.00 30.24 32.05 1kkb n GLN 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kkb n GLY 35 N -0.75 -1.66 0.00 2.61 0.00 -1.26 -4.57 105.19 99.56 1kkb n GLY 35 Ca 0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1kkb n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkb n GLY 36 N 0.00 3.87 1.80 -0.02 0.00 -1.26 -2.50 105.19 107.07 1kkb n GLY 36 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1kkb n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1kkb n HIS 37 N 0.00 2.05 0.42 1.61 1.44 -1.26 -3.93 115.22 115.54 1kkb n HIS 37 Ca 0.00 -0.98 0.12 0.00 -2.01 0.00 0.00 57.72 54.86 1kkb n HIS 37 Cb 0.00 -0.59 0.25 0.00 0.12 0.00 0.00 29.99 29.77 1kkb n HIS 37 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1kkb h ASN 38 N 2.42 0.00 -4.02 4.39 -1.07 -1.94 -3.45 115.58 111.91 1kkb h ASN 38 Ca 0.20 -0.02 -0.47 0.00 0.07 0.00 0.00 56.30 56.07 1kkb h ASN 38 Cb 2.04 0.00 0.07 0.00 -2.07 0.00 0.00 38.32 38.37 1kkb h ASN 38 CO 0.60 0.01 0.28 0.00 0.07 0.00 0.00 177.43 178.39 1kkb s ALA 39 N -3.17 3.07 -0.41 4.14 0.00 -1.25 -4.69 121.76 119.44 1kkb s ALA 39 Ca 0.08 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.45 1kkb s ALA 39 Cb 0.09 -2.75 0.31 0.00 0.00 0.00 0.00 23.12 20.78 1kkb s ALA 39 CO 0.66 -1.16 0.80 0.41 0.00 0.00 0.00 175.76 176.46 1kkb n GLY 40 N -2.90 2.42 3.56 0.00 0.00 -1.23 -4.31 105.19 102.73 1kkb n GLY 40 Ca 0.07 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1kkb n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kkb s HIS 41 N -1.27 1.70 -0.18 1.61 3.76 0.75 -4.69 115.29 116.97 1kkb s HIS 41 Ca 0.34 0.76 -0.26 0.00 -0.15 0.00 0.00 55.06 55.76 1kkb s HIS 41 Cb 0.29 -4.10 -0.01 0.00 1.11 0.00 0.00 32.58 29.87 1kkb s HIS 41 CO -0.09 -2.36 0.85 0.99 -0.85 0.00 0.00 174.74 173.27 1kkb s THR 42 N 8.73 4.86 -0.08 1.30 2.01 -1.26 -0.93 115.64 130.26 1kkb s THR 42 Ca 0.68 1.66 -0.00 0.00 0.31 0.00 0.00 61.69 64.34 1kkb s THR 42 Cb -0.14 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1kkb s THR 42 CO 0.22 -0.01 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.34 1kkb s LEU 43 N 2.34 3.30 -0.24 4.42 1.43 -0.17 -3.89 118.68 125.86 1kkb s LEU 43 Ca 0.38 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1kkb s LEU 43 Cb -0.16 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.40 1kkb s LEU 43 CO 0.11 0.36 0.06 -0.69 0.23 0.00 0.00 176.35 176.42 1kkb s VAL 44 N -0.78 0.62 -0.27 -1.59 1.01 -1.26 -1.42 120.40 116.72 1kkb s VAL 44 Ca 0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1kkb s VAL 44 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1kkb s VAL 44 CO 0.02 -0.40 0.01 -0.63 0.00 0.00 0.00 175.10 174.09 1kkb s ILE 45 N 1.78 3.46 -1.81 2.22 1.01 -1.01 -1.22 121.20 125.63 1kkb s ILE 45 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1kkb s ILE 45 Cb -0.17 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1kkb s ILE 45 CO -0.16 0.16 0.00 -3.20 0.00 0.00 0.00 174.94 171.74 1kkb n ASN 46 N 4.78 -5.41 0.00 3.58 5.15 -1.26 -0.85 115.26 121.24 1kkb n ASN 46 Ca -0.16 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1kkb n ASN 46 Cb 0.48 -4.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 1kkb n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kkb n GLY 47 N -0.75 0.61 3.29 8.20 0.00 -1.26 -5.05 105.19 110.23 1kkb n GLY 47 Ca -0.22 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1kkb n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kkb s GLU 48 N -1.13 3.18 0.37 1.61 2.12 -0.03 -5.08 118.70 119.74 1kkb s GLU 48 Ca 0.00 -0.77 -0.14 0.00 0.36 0.00 0.00 54.97 54.42 1kkb s GLU 48 Cb 0.00 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.22 1kkb s GLU 48 CO 0.00 -0.30 0.79 0.21 -0.54 0.00 0.00 175.26 175.41 1kkb s LYS 49 N 1.44 3.96 -0.22 4.30 2.20 -1.26 -2.42 119.74 127.75 1kkb s LYS 49 Ca 0.04 0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1kkb s LYS 49 Cb -0.15 -2.37 0.11 0.00 -1.51 0.00 0.00 37.83 33.91 1kkb s LYS 49 CO -0.02 0.05 0.34 0.99 -0.36 0.00 0.00 175.35 176.35 1kkb s THR 50 N -2.17 -0.54 -0.31 3.43 2.01 -0.50 -4.97 115.64 112.60 1kkb s THR 50 Ca 0.55 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 1kkb s THR 50 Cb -0.10 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1kkb s THR 50 CO 0.22 -0.09 0.37 -0.69 -0.69 0.00 0.00 174.62 173.74 1kkb s VAL 51 N 2.50 5.16 0.01 3.82 1.01 -1.26 -1.00 120.40 130.64 1kkb s VAL 51 Ca 0.09 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1kkb s VAL 51 Cb -0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1kkb s VAL 51 CO -0.14 0.03 0.28 -0.76 0.00 0.00 0.00 175.10 174.50 1kkb s LEU 52 N 2.07 4.37 0.05 3.92 1.43 -0.11 -4.93 118.68 125.48 1kkb s LEU 52 Ca 0.14 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1kkb s LEU 52 Cb -0.16 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1kkb s LEU 52 CO 0.11 0.25 0.00 1.41 0.23 0.00 0.00 176.35 178.35 1kkb n HIS 53 N 1.10 -0.11 -0.06 0.29 8.25 -1.26 -0.18 115.22 123.25 1kkb n HIS 53 Ca -0.11 0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.33 1kkb n HIS 53 Cb 0.53 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 1kkb n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1kkb n LEU 54 N -2.93 0.17 -4.69 2.41 7.94 -1.26 -4.35 117.00 114.30 1kkb n LEU 54 Ca 0.00 0.08 -0.42 0.00 -1.11 0.00 0.00 56.01 54.56 1kkb n LEU 54 Cb 0.00 0.31 -0.03 0.00 0.53 0.00 0.00 43.42 44.23 1kkb n LEU 54 CO 0.00 0.33 1.02 -0.63 -1.11 0.00 0.00 177.39 177.01 1kkb s ILE 55 N -2.78 4.03 0.37 1.96 -1.09 -1.26 -4.98 121.20 117.45 1kkb s ILE 55 Ca -0.08 1.38 -0.26 0.00 -2.23 0.00 0.00 60.65 59.46 1kkb s ILE 55 Cb 0.08 -3.89 -0.12 0.00 -1.58 0.00 0.00 42.46 36.96 1kkb s ILE 55 CO 0.84 -0.00 1.11 -2.65 -1.23 0.00 0.00 174.94 173.01 1kkb n PRO 56 N 5.30 1.62 0.00 2.79 -0.02 -1.26 -4.82 135.00 138.60 1kkb n PRO 56 Ca 0.12 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1kkb n PRO 56 Cb 0.45 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1kkb n PRO 56 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1kkb n SER 57 N 0.72 0.09 -0.82 2.55 7.64 -1.26 -2.15 113.62 120.38 1kkb n SER 57 Ca 0.08 -0.59 0.05 0.00 1.01 0.00 0.00 58.87 59.42 1kkb n SER 57 Cb 0.37 -0.04 0.22 0.00 -1.01 0.00 0.00 64.21 63.74 1kkb n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkb n GLY 58 N -0.04 4.45 0.23 0.23 0.00 -1.26 -3.56 105.19 105.24 1kkb n GLY 58 Ca 0.00 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1kkb n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kkb h ILE 59 N 1.25 0.04 -0.81 -0.61 6.09 -1.78 -3.22 117.51 118.46 1kkb h ILE 59 Ca 0.06 -0.90 -0.32 0.00 -1.37 0.00 0.00 64.86 62.33 1kkb h ILE 59 Cb 1.42 1.87 -0.19 0.00 0.47 0.00 0.00 36.82 40.39 1kkb h ILE 59 CO 0.23 0.02 0.40 0.18 -3.07 0.00 0.00 178.15 175.91 1kkb n LEU 60 N -3.11 6.25 -3.88 2.19 4.77 -1.26 -4.85 117.00 117.11 1kkb n LEU 60 Ca 0.03 -3.28 -0.28 0.00 -0.03 0.00 0.00 56.01 52.44 1kkb n LEU 60 Cb 0.47 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 1kkb n LEU 60 CO 0.32 0.88 -0.42 -0.13 -1.33 0.00 0.00 177.39 176.71 1kkb s ARG 61 N -3.01 1.36 0.29 3.23 0.52 -1.22 -5.03 118.95 115.10 1kkb s ARG 61 Ca 0.54 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1kkb s ARG 61 Cb 0.44 -2.10 0.73 0.00 0.52 0.00 0.00 34.95 34.54 1kkb s ARG 61 CO 0.12 -0.48 1.63 1.49 0.02 0.00 0.00 175.30 178.08 1kkb h GLU 62 N 8.11 0.16 0.00 3.54 4.57 -1.89 -1.90 114.58 127.17 1kkb h GLU 62 Ca -0.22 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1kkb h GLU 62 Cb 1.11 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1kkb h GLU 62 CO 0.39 0.10 0.00 -2.95 -1.18 0.00 0.00 179.01 175.38 1kkb h ASN 63 N 0.16 0.00 -3.13 1.04 -1.07 -1.95 -3.46 115.58 107.17 1kkb h ASN 63 Ca 0.56 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 56.33 1kkb h ASN 63 Cb 1.15 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.32 1kkb h ASN 63 CO -0.70 0.00 -0.33 -0.69 0.07 0.00 0.00 177.43 175.78 1kkb s VAL 64 N -3.29 5.29 -0.36 6.14 1.01 -0.72 -4.64 120.40 123.83 1kkb s VAL 64 Ca 0.06 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1kkb s VAL 64 Cb 0.09 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1kkb s VAL 64 CO 0.56 0.46 0.51 -0.89 0.00 0.00 0.00 175.10 175.74 1kkb s THR 65 N -0.07 5.02 0.11 3.92 2.01 0.20 -4.87 115.64 121.97 1kkb s THR 65 Ca 0.17 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 1kkb s THR 65 Cb -0.13 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1kkb s THR 65 CO 0.06 -0.24 0.81 -0.44 -0.69 0.00 0.00 174.62 174.12 1kkb s SER 66 N 1.77 7.35 -0.03 3.53 0.01 -0.73 -2.05 113.70 123.55 1kkb s SER 66 Ca 0.18 1.60 0.04 0.00 1.31 0.00 0.00 55.95 59.08 1kkb s SER 66 Cb -0.16 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 1kkb s SER 66 CO 0.13 0.08 -0.14 -0.63 0.41 0.00 0.00 173.24 173.09 1kkb s ILE 67 N -0.48 1.19 -0.47 1.44 1.01 0.22 -0.38 121.20 123.72 1kkb s ILE 67 Ca 0.39 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1kkb s ILE 67 Cb -0.22 -1.03 0.12 0.00 0.01 0.00 0.00 42.46 41.34 1kkb s ILE 67 CO 0.26 0.35 0.33 -0.63 0.00 0.00 0.00 174.94 175.24 1kkb s ILE 68 N 0.04 3.99 1.00 2.92 1.01 -0.38 -1.10 121.20 128.69 1kkb s ILE 68 Ca -0.02 -1.93 -0.12 0.00 0.00 0.00 0.00 60.65 58.57 1kkb s ILE 68 Cb -0.10 -3.65 0.19 0.00 0.01 0.00 0.00 42.46 38.91 1kkb s ILE 68 CO 0.01 -0.77 1.09 -0.83 0.00 0.00 0.00 174.94 174.44 1kkb s GLY 69 N 2.35 1.57 0.56 6.18 0.00 -0.55 -1.93 107.32 115.51 1kkb s GLY 69 Ca 0.07 -0.30 0.27 0.00 0.00 0.00 0.00 44.72 44.76 1kkb s GLY 69 CO -0.02 0.31 2.00 3.45 0.00 0.00 0.00 173.10 178.84 1kkb h ASN 70 N -1.92 0.00 0.13 1.64 -1.07 -1.57 -2.28 115.58 110.52 1kkb h ASN 70 Ca -0.54 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.77 1kkb h ASN 70 Cb 1.32 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.56 1kkb h ASN 70 CO 0.56 0.00 -0.20 1.23 0.07 0.00 0.00 177.43 179.10 1kkb h GLY 71 N 0.00 0.14 -4.44 9.14 0.00 -1.17 -3.37 103.07 103.38 1kkb h GLY 71 Ca 0.20 -0.09 -0.53 0.00 0.00 0.00 0.00 47.33 46.91 1kkb h GLY 71 CO -0.00 0.09 0.71 0.14 0.00 0.00 0.00 176.54 177.47 1kkb s VAL 72 N -4.59 3.21 -0.43 4.60 1.01 -0.86 -4.59 120.40 118.75 1kkb s VAL 72 Ca -0.05 0.91 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 1kkb s VAL 72 Cb 0.15 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1kkb s VAL 72 CO 0.72 0.10 0.78 0.68 0.00 0.00 0.00 175.10 177.38 1kkb s VAL 73 N 0.74 4.67 -0.26 2.92 -7.23 -1.04 -3.42 120.40 116.78 1kkb s VAL 73 Ca 0.62 0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 61.16 1kkb s VAL 73 Cb -0.37 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.24 1kkb s VAL 73 CO 0.33 -0.64 0.44 -0.22 -0.31 0.00 0.00 175.10 174.70 1kkb s LEU 74 N 3.23 4.05 -0.56 1.32 0.20 0.34 -4.61 118.68 122.66 1kkb s LEU 74 Ca 0.30 0.41 -0.18 0.00 0.69 0.00 0.00 54.13 55.35 1kkb s LEU 74 Cb -0.12 -2.54 0.11 0.00 -0.43 0.00 0.00 46.19 43.20 1kkb s LEU 74 CO 0.21 -0.22 0.62 -0.55 -0.29 0.00 0.00 176.35 176.12 1kkb s SER 75 N 1.55 6.19 0.33 3.68 0.15 -1.26 -0.94 113.70 123.38 1kkb s SER 75 Ca 0.18 -1.50 0.07 0.00 0.70 0.00 0.00 55.95 55.40 1kkb s SER 75 Cb -0.16 -2.27 0.92 0.00 -1.71 0.00 0.00 66.02 62.80 1kkb s SER 75 CO 0.09 -1.00 1.57 -0.65 1.20 0.00 0.00 173.24 174.46 1kkb h PRO 76 N 9.06 0.01 -0.25 5.44 0.11 -1.96 -0.11 132.00 144.30 1kkb h PRO 76 Ca -0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1kkb h PRO 76 Cb 1.09 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1kkb h PRO 76 CO 1.06 0.01 0.13 0.00 -0.21 0.00 0.00 178.00 178.99 1kkb h ALA 77 N 1.99 0.32 -0.34 -0.75 0.00 -1.93 -2.00 119.26 116.55 1kkb h ALA 77 Ca 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1kkb h ALA 77 Cb 1.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1kkb h ALA 77 CO -0.88 -0.14 0.05 0.00 0.00 0.00 0.00 179.25 178.28 1kkb h ALA 78 N 1.00 0.45 0.11 0.00 0.00 -1.45 -0.80 119.26 118.57 1kkb h ALA 78 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1kkb h ALA 78 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1kkb h ALA 78 CO -0.01 0.15 -0.23 1.25 0.00 0.00 0.00 179.25 180.41 1kkb h LEU 79 N 0.39 -0.64 -0.68 0.00 5.85 -1.31 0.89 115.31 119.82 1kkb h LEU 79 Ca 0.10 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1kkb h LEU 79 Cb 0.35 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1kkb h LEU 79 CO 0.01 -0.31 0.38 0.24 -0.34 0.00 0.00 178.44 178.41 1kkb h MET 80 N -0.42 0.68 0.34 1.25 2.86 -1.30 -1.45 114.93 116.89 1kkb h MET 80 Ca 0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1kkb h MET 80 Cb 0.44 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1kkb h MET 80 CO -0.13 0.45 -0.40 -0.22 1.06 0.00 0.00 176.91 177.67 1kkb h LYS 81 N 0.70 -0.75 -0.27 1.72 1.63 -0.44 -3.01 116.57 116.15 1kkb h LYS 81 Ca 0.30 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.18 1kkb h LYS 81 Cb 0.18 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1kkb h LYS 81 CO -0.18 -0.50 0.09 0.93 -3.45 0.00 0.00 179.45 176.34 1kkb h GLU 82 N -0.78 0.20 -0.15 1.90 5.08 -0.48 -3.10 114.58 117.26 1kkb h GLU 82 Ca -0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1kkb h GLU 82 Cb 0.72 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1kkb h GLU 82 CO -0.10 0.14 -0.41 0.52 -1.00 0.00 0.00 179.01 178.16 1kkb h MET 83 N 0.21 -0.39 -0.74 2.33 2.86 -1.22 -1.18 114.93 116.80 1kkb h MET 83 Ca 0.12 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.96 1kkb h MET 83 Cb 0.09 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.72 1kkb h MET 83 CO -0.13 -0.26 0.13 0.87 1.06 0.00 0.00 176.91 178.58 1kkb h LYS 84 N -0.40 0.20 -0.94 1.72 1.57 -1.56 0.82 116.57 117.98 1kkb h LYS 84 Ca 0.03 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1kkb h LYS 84 Cb 0.49 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1kkb h LYS 84 CO -0.35 0.13 0.59 0.93 -0.57 0.00 0.00 179.45 180.18 1kkb h GLU 85 N 0.21 1.03 0.13 3.15 5.08 -1.28 0.33 114.58 123.24 1kkb h GLU 85 Ca 0.42 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.46 1kkb h GLU 85 Cb 0.74 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1kkb h GLU 85 CO -0.56 0.68 -1.10 -0.07 -1.00 0.00 0.00 179.01 176.96 1kkb h LEU 86 N 1.06 0.74 -1.39 1.33 3.38 0.73 -3.26 115.31 117.90 1kkb h LEU 86 Ca 0.41 -0.86 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1kkb h LEU 86 Cb 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1kkb h LEU 86 CO -0.18 1.53 0.47 -0.33 0.09 0.00 0.00 178.44 180.01 1kkb h GLU 87 N 0.06 0.73 0.00 1.13 5.08 0.13 0.17 114.58 121.88 1kkb h GLU 87 Ca -0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1kkb h GLU 87 Cb 1.81 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1kkb h GLU 87 CO 0.21 0.48 0.00 -0.25 -1.00 0.00 0.00 179.01 178.45 1kkb n ASP 88 N -4.48 0.32 -0.77 1.42 10.43 0.11 -2.14 116.55 121.43 1kkb n ASP 88 Ca 0.10 0.58 0.03 0.00 2.57 0.00 0.00 54.79 58.07 1kkb n ASP 88 Cb 0.21 -0.64 0.20 0.00 1.84 0.00 0.00 41.12 42.73 1kkb n ASP 88 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1kkb n ARG 89 N -1.85 1.68 -0.99 -1.24 1.74 0.56 -4.98 116.66 111.57 1kkb n ARG 89 Ca 0.03 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 53.88 1kkb n ARG 89 Cb 0.20 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1kkb n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kkb n GLY 90 N -1.13 0.44 3.46 -0.13 0.00 -0.91 -5.00 105.19 101.92 1kkb n GLY 90 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1kkb n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkb s ILE 91 N -1.95 5.20 -1.06 -0.61 1.09 -0.88 -4.98 121.20 118.00 1kkb s ILE 91 Ca 0.00 -0.59 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 1kkb s ILE 91 Cb 0.00 -3.99 -0.08 0.00 -1.06 0.00 0.00 42.46 37.34 1kkb s ILE 91 CO 0.00 -0.38 2.10 -0.81 -0.10 0.00 0.00 174.94 175.75 1kkb n PRO 92 N 5.32 2.12 -0.31 2.79 -0.04 -1.26 -3.43 135.00 140.19 1kkb n PRO 92 Ca -0.10 -2.09 0.20 0.00 -0.04 0.00 0.00 63.50 61.47 1kkb n PRO 92 Cb 0.47 -3.00 0.38 0.00 -0.04 0.00 0.00 33.50 31.30 1kkb n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kkb n VAL 93 N 5.42 -0.39 0.28 0.52 0.31 -1.26 -0.02 118.33 123.19 1kkb n VAL 93 Ca 0.51 1.98 0.17 0.00 -0.01 0.00 0.00 64.34 66.99 1kkb n VAL 93 Cb 0.37 -3.00 0.65 0.00 -0.91 0.00 0.00 33.84 30.94 1kkb n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1kkb h ARG 94 N 0.00 0.00 0.00 5.55 3.08 -1.89 0.36 114.38 121.48 1kkb h ARG 94 Ca 0.65 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.57 1kkb h ARG 94 Cb 1.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 1kkb h ARG 94 CO -0.81 0.00 -1.41 0.39 -1.07 0.00 0.00 179.97 177.07 1kkb n GLU 95 N -3.04 0.62 -0.04 0.04 1.02 0.97 -4.42 120.64 115.78 1kkb n GLU 95 Ca 0.01 0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1kkb n GLU 95 Cb 0.32 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 1kkb n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kkb h ARG 96 N 0.00 0.14 -6.50 3.49 3.08 -1.07 -3.49 114.38 110.03 1kkb h ARG 96 Ca -0.13 -0.25 -0.52 0.00 0.07 0.00 0.00 59.98 59.15 1kkb h ARG 96 Cb 1.42 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 1kkb h ARG 96 CO 0.03 1.12 0.23 -1.17 -1.07 0.00 0.00 179.97 179.11 1kkb s LEU 97 N -7.45 4.55 0.11 3.04 2.96 0.12 -1.77 118.68 120.24 1kkb s LEU 97 Ca -0.25 1.66 0.05 0.00 -0.22 0.00 0.00 54.13 55.38 1kkb s LEU 97 Cb 0.06 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 1kkb s LEU 97 CO 0.69 0.11 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.93 1kkb s LEU 98 N -0.68 2.37 0.06 -0.68 1.43 0.48 -4.84 118.68 116.83 1kkb s LEU 98 Ca 0.39 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1kkb s LEU 98 Cb -0.23 -0.52 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 1kkb s LEU 98 CO 0.27 -0.14 0.16 -1.48 0.23 0.00 0.00 176.35 175.39 1kkb s LEU 99 N -2.29 1.54 -0.02 1.79 0.05 -0.94 -1.24 118.68 117.57 1kkb s LEU 99 Ca 0.06 -0.55 -0.20 0.00 0.05 0.00 0.00 54.13 53.49 1kkb s LEU 99 Cb -0.06 0.88 -0.05 0.00 -2.05 0.00 0.00 46.19 44.91 1kkb s LEU 99 CO 0.02 -0.62 0.57 -0.55 -0.55 0.00 0.00 176.35 175.23 1kkb s SER 100 N -2.47 6.94 0.17 1.48 0.15 -0.81 -2.26 113.70 116.90 1kkb s SER 100 Ca -0.00 1.11 0.19 0.00 0.70 0.00 0.00 55.95 57.95 1kkb s SER 100 Cb 0.02 -2.35 0.83 0.00 -1.71 0.00 0.00 66.02 62.81 1kkb s SER 100 CO -0.07 0.10 1.58 -1.84 1.20 0.00 0.00 173.24 174.20 1kkb n GLU 101 N 2.80 0.12 0.20 5.44 0.28 -1.26 -1.34 120.64 126.87 1kkb n GLU 101 Ca -0.07 0.41 0.09 0.00 -0.16 0.00 0.00 57.16 57.43 1kkb n GLU 101 Cb 0.51 -1.75 0.14 0.00 1.43 0.00 0.00 31.44 31.77 1kkb n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kkb h ALA 102 N 2.27 0.90 -2.12 -1.84 0.00 -1.91 0.29 119.26 116.85 1kkb h ALA 102 Ca 0.00 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.17 1kkb h ALA 102 Cb 0.25 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.05 1kkb h ALA 102 CO 0.00 0.19 0.96 0.00 0.00 0.00 0.00 179.25 180.40 1kkb s PRO 104 N 2.64 2.75 -0.04 0.00 0.02 -1.22 0.67 135.00 139.82 1kkb s PRO 104 Ca 0.87 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.89 1kkb s PRO 104 Cb -0.69 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 1kkb s PRO 104 CO 0.46 -1.43 0.08 -0.51 -0.33 0.00 0.00 177.00 175.26 1kkb s LEU 105 N -4.16 3.93 -0.17 -5.54 1.43 0.59 0.13 118.68 114.89 1kkb s LEU 105 Ca 0.80 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1kkb s LEU 105 Cb -0.36 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1kkb s LEU 105 CO 0.39 0.32 -0.06 -0.63 0.23 0.00 0.00 176.35 176.60 1kkb s ILE 106 N -1.11 3.55 0.38 -0.59 1.01 -0.12 -4.78 121.20 119.55 1kkb s ILE 106 Ca 0.20 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1kkb s ILE 106 Cb -0.12 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1kkb s ILE 106 CO 0.10 0.48 0.08 -0.76 0.00 0.00 0.00 174.94 174.84 1kkb s LEU 107 N 0.65 2.13 0.24 2.97 1.43 -1.26 -4.15 118.68 120.69 1kkb s LEU 107 Ca -0.04 -1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 51.42 1kkb s LEU 107 Cb -0.15 -0.31 0.33 0.00 0.03 0.00 0.00 46.19 46.08 1kkb s LEU 107 CO 0.02 -0.76 1.47 0.47 0.23 0.00 0.00 176.35 177.79 1kkb n ASP 108 N -1.00 -0.48 0.28 2.29 10.43 -1.26 -0.22 116.55 126.59 1kkb n ASP 108 Ca -0.05 1.64 0.13 0.00 2.57 0.00 0.00 54.79 59.07 1kkb n ASP 108 Cb 0.66 -0.43 0.81 0.00 1.84 0.00 0.00 41.12 44.00 1kkb n ASP 108 CO 0.00 0.00 0.00 0.10 -1.07 0.00 0.00 177.20 176.23 1kkb h TYR 109 N 0.00 0.00 -0.14 1.24 -0.00 -1.97 -2.26 116.97 113.84 1kkb h TYR 109 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.01 1kkb h TYR 109 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.34 1kkb h TYR 109 CO -0.78 0.03 -0.39 0.45 -0.00 0.00 0.00 178.16 177.47 1kkb h HIS 110 N 0.00 0.35 0.01 0.10 3.86 -0.94 -0.49 115.15 118.04 1kkb h HIS 110 Ca -0.00 -0.09 -0.17 0.00 -1.16 0.00 0.00 60.37 58.94 1kkb h HIS 110 Cb 0.07 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.47 1kkb h HIS 110 CO 0.00 0.65 -0.69 0.28 0.86 0.00 0.00 177.93 179.03 1kkb h VAL 111 N 0.26 1.41 -0.38 2.45 2.07 -1.41 0.74 116.25 121.39 1kkb h VAL 111 Ca 0.03 -2.14 0.05 0.00 0.82 0.00 0.00 66.70 65.45 1kkb h VAL 111 Cb 0.80 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1kkb h VAL 111 CO 0.06 0.63 0.13 0.00 0.02 0.00 0.00 177.57 178.41 1kkb h ALA 112 N 0.31 0.44 -0.40 1.67 0.00 -1.39 0.77 119.26 120.67 1kkb h ALA 112 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1kkb h ALA 112 Cb 1.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1kkb h ALA 112 CO 0.13 -0.26 0.19 -0.07 0.00 0.00 0.00 179.25 179.24 1kkb h LEU 113 N 0.28 0.52 -1.11 0.00 3.38 -1.08 -0.01 115.31 117.28 1kkb h LEU 113 Ca 0.17 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1kkb h LEU 113 Cb 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1kkb h LEU 113 CO -0.18 0.50 0.61 -0.78 0.09 0.00 0.00 178.44 178.67 1kkb h ASP 114 N 0.50 0.94 0.24 -0.43 -0.00 -0.16 -0.90 116.42 116.61 1kkb h ASP 114 Ca 0.14 0.01 -0.30 0.00 -0.00 0.00 0.00 57.03 56.87 1kkb h ASP 114 Cb 0.12 -0.19 0.03 0.00 -0.00 0.00 0.00 39.33 39.28 1kkb h ASP 114 CO -0.02 0.60 -1.30 0.78 -0.00 0.00 0.00 179.24 179.30 1kkb h ASN 115 N 1.06 0.80 -0.09 2.28 4.21 -0.54 -2.70 115.58 120.61 1kkb h ASN 115 Ca 0.40 -0.78 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 1kkb h ASN 115 Cb 0.21 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1kkb h ASN 115 CO -0.16 1.59 0.03 0.00 -1.29 0.00 0.00 177.43 177.61 1kkb h ALA 116 N 0.31 0.11 -0.96 -0.83 0.00 -0.73 -0.89 119.26 116.28 1kkb h ALA 116 Ca -0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1kkb h ALA 116 Cb 1.98 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 1kkb h ALA 116 CO 0.24 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.82 1kkb h ARG 117 N -0.02 1.19 -0.02 0.00 3.08 -1.25 0.68 114.38 118.03 1kkb h ARG 117 Ca 0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1kkb h ARG 117 Cb 0.17 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1kkb h ARG 117 CO -0.00 0.79 0.01 0.93 -1.07 0.00 0.00 179.97 180.62 1kkb h GLU 118 N 1.22 0.03 -0.24 0.04 4.39 -1.30 -2.40 114.58 116.33 1kkb h GLU 118 Ca 0.38 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1kkb h GLU 118 Cb -0.02 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1kkb h GLU 118 CO -0.12 0.13 0.15 -0.22 -1.16 0.00 0.00 179.01 177.79 1kkb h LYS 119 N -0.08 0.29 -0.62 2.33 3.64 -0.55 -1.06 116.57 120.52 1kkb h LYS 119 Ca 0.01 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.55 1kkb h LYS 119 Cb 0.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1kkb h LYS 119 CO -0.00 0.19 0.71 0.00 -2.27 0.00 0.00 179.45 178.08 1kkb h ALA 120 N 1.10 2.39 0.00 5.00 0.00 0.68 0.69 119.26 129.12 1kkb h ALA 120 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kkb h ALA 120 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kkb h ALA 120 CO -0.03 -1.03 -0.06 0.54 0.00 0.00 0.00 179.25 178.67 1kkb n ARG 121 N -3.53 0.12 0.00 0.00 1.74 -0.40 -4.98 116.66 109.60 1kkb n ARG 121 Ca 0.13 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1kkb n ARG 121 Cb 0.93 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1kkb n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kkb n GLY 122 N 1.42 3.42 0.25 -0.13 0.00 0.24 0.00 105.19 110.39 1kkb n GLY 122 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1kkb n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkb h ALA 123 N -0.60 1.31 0.00 4.61 0.00 -1.92 -2.97 119.26 119.68 1kkb h ALA 123 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kkb h ALA 123 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1kkb h ALA 123 CO 0.00 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.34 1kkb n LYS 124 N -4.22 1.00 -2.31 0.00 4.76 0.10 -4.89 118.16 112.59 1kkb n LYS 124 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 1kkb n LYS 124 Cb 0.30 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 1kkb n LYS 124 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kkb s ALA 125 N 0.01 3.46 0.29 7.82 0.00 -1.13 -4.86 121.76 127.35 1kkb s ALA 125 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1kkb s ALA 125 Cb 0.00 -3.41 0.43 0.00 0.00 0.00 0.00 23.12 20.14 1kkb s ALA 125 CO 0.00 -0.40 1.68 0.82 0.00 0.00 0.00 175.76 177.85 1kkb h ILE 126 N 3.31 1.34 -0.95 0.00 2.04 -1.90 -3.41 117.51 117.94 1kkb h ILE 126 Ca -0.47 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1kkb h ILE 126 Cb 1.22 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1kkb h ILE 126 CO 0.70 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.95 1kkb n GLY 127 N -0.07 0.84 3.78 5.37 0.00 -1.26 -0.62 105.19 113.24 1kkb n GLY 127 Ca -0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1kkb n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kkb s THR 128 N -2.69 3.52 -1.37 2.61 -4.23 -1.26 -4.40 115.64 107.81 1kkb s THR 128 Ca 0.00 0.60 0.18 0.00 -1.18 0.00 0.00 61.69 61.29 1kkb s THR 128 Cb 0.00 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 70.99 1kkb s THR 128 CO 0.00 -0.54 1.56 0.35 -0.54 0.00 0.00 174.62 175.44 1kkb n THR 129 N -2.83 0.50 -3.39 3.99 -2.24 -1.26 -4.92 114.28 104.13 1kkb n THR 129 Ca 0.09 0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.83 1kkb n THR 129 Cb 0.53 -0.82 0.09 0.00 -2.10 0.00 0.00 70.33 68.02 1kkb n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkb n GLY 130 N 0.28 -0.45 0.04 3.38 0.00 -1.26 -4.94 105.19 102.24 1kkb n GLY 130 Ca 0.08 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1kkb n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkb n ARG 131 N -3.99 2.09 -1.25 1.61 5.12 -1.26 -4.95 116.66 114.03 1kkb n ARG 131 Ca -0.26 -1.80 -0.09 0.00 -1.93 0.00 0.00 57.85 53.78 1kkb n ARG 131 Cb 0.66 -1.12 -0.04 0.00 -1.16 0.00 0.00 32.46 30.80 1kkb n ARG 131 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kkb n GLY 132 N -0.78 1.04 0.35 -0.13 0.00 -1.26 -4.78 105.19 99.64 1kkb n GLY 132 Ca 0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1kkb n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kkb h ILE 133 N 0.00 0.23 -0.32 -0.61 1.08 -1.94 -1.48 117.51 114.47 1kkb h ILE 133 Ca -0.18 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1kkb h ILE 133 Cb 0.64 0.31 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 1kkb h ILE 133 CO 0.26 0.03 -0.48 1.23 -0.69 0.00 0.00 178.15 178.50 1kkb h GLY 134 N -1.08 -0.78 1.43 5.37 0.00 -1.93 -0.91 103.07 105.17 1kkb h GLY 134 Ca -0.09 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1kkb h GLY 134 CO 0.14 -0.18 0.28 -2.55 0.00 0.00 0.00 176.54 174.23 1kkb h PRO 135 N -0.42 0.75 -0.47 4.80 0.11 -1.83 -2.29 132.00 132.65 1kkb h PRO 135 Ca 0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1kkb h PRO 135 Cb 0.61 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1kkb h PRO 135 CO -0.53 0.57 0.16 0.00 -0.21 0.00 0.00 178.00 177.99 1kkb h ALA 136 N 1.55 0.62 -0.28 -0.75 0.00 -0.50 -0.84 119.26 119.06 1kkb h ALA 136 Ca 0.19 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1kkb h ALA 136 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1kkb h ALA 136 CO -0.03 0.25 -0.20 1.88 0.00 0.00 0.00 179.25 181.15 1kkb h TYR 137 N 0.63 0.56 0.53 0.00 -1.99 -0.92 -2.82 116.97 112.94 1kkb h TYR 137 Ca 0.15 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1kkb h TYR 137 Cb 0.24 -0.14 0.01 0.00 2.00 0.00 0.00 36.73 38.83 1kkb h TYR 137 CO 0.01 0.68 -0.25 0.93 -0.00 0.00 0.00 178.16 179.53 1kkb h GLU 138 N 0.46 -0.68 -1.20 4.88 5.08 -0.87 -2.38 114.58 119.86 1kkb h GLU 138 Ca 0.07 0.05 0.36 0.00 -1.00 0.00 0.00 59.36 58.84 1kkb h GLU 138 Cb 0.61 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.90 1kkb h GLU 138 CO 0.04 -0.45 0.78 -0.44 -1.00 0.00 0.00 179.01 177.94 1kkb h ASP 139 N -0.72 0.31 0.65 1.42 3.45 -1.20 -0.80 116.42 119.53 1kkb h ASP 139 Ca -0.07 0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 1kkb h ASP 139 Cb 0.54 0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1kkb h ASP 139 CO 0.12 -0.06 -0.31 0.50 -1.57 0.00 0.00 179.24 177.91 1kkb h LYS 140 N 0.21 -0.84 -0.02 3.56 3.64 -1.26 -0.17 116.57 121.69 1kkb h LYS 140 Ca 0.72 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 60.16 1kkb h LYS 140 Cb 2.13 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 34.14 1kkb h LYS 140 CO -0.35 -0.52 0.02 -0.24 -2.27 0.00 0.00 179.45 176.09 1kkb h VAL 141 N -1.02 0.77 0.00 2.00 3.04 -0.67 0.37 116.25 120.73 1kkb h VAL 141 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1kkb h VAL 141 Cb 0.71 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1kkb h VAL 141 CO 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 1kkb h ALA 142 N 1.98 1.00 -2.50 3.17 0.00 -1.22 -3.47 119.26 118.22 1kkb h ALA 142 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1kkb h ALA 142 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kkb h ALA 142 CO -0.00 0.00 -0.39 0.54 0.00 0.00 0.00 179.25 179.40 1kkb n ARG 143 N -2.79 -2.01 -0.00 0.00 1.74 0.12 -4.86 116.66 108.86 1kkb n ARG 143 Ca 0.03 0.67 0.02 0.00 -0.77 0.00 0.00 57.85 57.80 1kkb n ARG 143 Cb 0.40 -4.96 -0.03 0.00 -1.02 0.00 0.00 32.46 26.86 1kkb n ARG 143 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1kkb n ARG 144 N -2.62 3.52 -1.80 5.56 0.63 -0.64 -5.06 116.66 116.25 1kkb n ARG 144 Ca -0.14 -0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.49 1kkb n ARG 144 Cb 0.61 -0.85 0.09 0.00 0.45 0.00 0.00 32.46 32.76 1kkb n ARG 144 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1kkb s GLY 145 N -1.80 1.60 -0.21 5.14 0.00 -0.17 -4.92 107.32 106.95 1kkb s GLY 145 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 1kkb s GLY 145 CO 0.17 -0.04 0.14 1.08 0.00 0.00 0.00 173.10 174.44 1kkb s LEU 146 N -5.62 4.14 0.47 0.66 1.43 -1.26 -4.96 118.68 113.53 1kkb s LEU 146 Ca 0.61 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1kkb s LEU 146 Cb -0.12 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1kkb s LEU 146 CO 0.51 0.13 0.41 -0.13 0.23 0.00 0.00 176.35 177.50 1kkb s ARG 147 N 0.64 2.40 0.17 1.70 0.52 -1.26 -0.30 118.95 122.83 1kkb s ARG 147 Ca 0.07 -1.72 -0.14 0.00 -0.52 0.00 0.00 55.73 53.43 1kkb s ARG 147 Cb -0.12 -2.29 0.13 0.00 0.52 0.00 0.00 34.95 33.19 1kkb s ARG 147 CO 0.01 -0.38 1.76 0.28 0.02 0.00 0.00 175.30 176.99 1kkb h VAL 148 N 0.89 0.89 0.00 3.52 2.07 0.50 -2.84 116.25 121.29 1kkb h VAL 148 Ca -0.39 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1kkb h VAL 148 Cb 1.28 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1kkb h VAL 148 CO 0.57 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1kkb n GLY 149 N -1.25 -0.25 0.15 2.17 0.00 0.99 -1.74 105.19 105.26 1kkb n GLY 149 Ca 0.04 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1kkb n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kkb h ASP 150 N 0.00 0.00 0.57 1.61 5.19 -1.78 -2.91 116.42 119.09 1kkb h ASP 150 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kkb h ASP 150 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1kkb h ASP 150 CO 0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 1kkb n LEU 151 N -2.57 0.00 0.23 1.55 4.77 -0.71 -3.09 117.00 117.18 1kkb n LEU 151 Ca 0.05 0.43 0.15 0.00 -0.03 0.00 0.00 56.01 56.61 1kkb n LEU 151 Cb 0.46 -0.43 0.81 0.00 -2.33 0.00 0.00 43.42 41.94 1kkb n LEU 151 CO 0.32 -0.14 1.13 -0.26 -1.33 0.00 0.00 177.39 177.10 1kkb h PHE 152 N 0.00 0.00 -2.71 -1.77 0.05 -1.73 -3.30 116.94 107.47 1kkb h PHE 152 Ca 0.00 0.00 -0.54 0.00 3.82 0.00 0.00 57.97 61.25 1kkb h PHE 152 Cb 0.28 0.00 -0.40 0.00 2.00 0.00 0.00 35.95 37.84 1kkb h PHE 152 CO 0.00 0.00 -0.80 0.34 -0.18 0.00 0.00 178.31 177.67 1kkb s ASP 153 N -6.15 3.33 0.57 2.17 -1.08 -1.18 -5.01 116.67 109.32 1kkb s ASP 153 Ca -0.05 -1.53 0.28 0.00 -0.52 0.00 0.00 52.55 50.74 1kkb s ASP 153 Cb 0.16 -0.34 1.70 0.00 -1.46 0.00 0.00 42.92 42.98 1kkb s ASP 153 CO 0.58 -0.40 2.20 0.11 0.52 0.00 0.00 175.17 178.18 1kkb h LYS 154 N 8.01 0.00 0.41 4.34 1.57 -1.78 -0.95 116.57 128.17 1kkb h LYS 154 Ca -0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1kkb h LYS 154 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1kkb h LYS 154 CO 0.39 0.03 -0.20 0.93 -0.57 0.00 0.00 179.45 180.04 1kkb h GLU 155 N 0.00 -0.53 0.00 3.15 3.07 -1.94 -1.43 114.58 116.91 1kkb h GLU 155 Ca -0.00 0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 1kkb h GLU 155 Cb 0.09 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1kkb h GLU 155 CO 0.00 -0.21 -0.29 1.79 -1.40 0.00 0.00 179.01 178.90 1kkb h THR 156 N -0.91 1.02 0.42 1.13 1.35 -1.85 -2.79 112.91 111.29 1kkb h THR 156 Ca -0.06 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 64.73 1kkb h THR 156 Cb 0.55 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1kkb h THR 156 CO 0.09 0.28 -0.20 0.15 -0.25 0.00 0.00 175.52 175.59 1kkb h PHE 157 N 0.00 -0.53 -0.76 4.73 3.57 -1.05 0.46 116.94 123.36 1kkb h PHE 157 Ca -0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1kkb h PHE 157 Cb 0.58 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1kkb h PHE 157 CO 0.00 -0.32 0.50 0.00 -2.23 0.00 0.00 178.31 176.26 1kkb h ALA 158 N -0.00 1.99 -0.02 2.41 0.00 -1.07 1.10 119.26 123.66 1kkb h ALA 158 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1kkb h ALA 158 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kkb h ALA 158 CO 0.10 -0.18 -0.07 0.93 0.00 0.00 0.00 179.25 180.03 1kkb h GLU 159 N 0.52 0.08 -0.73 0.00 5.08 -1.15 -0.30 114.58 118.08 1kkb h GLU 159 Ca 0.37 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1kkb h GLU 159 Cb 0.71 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1kkb h GLU 159 CO -0.13 0.68 0.48 0.87 -1.00 0.00 0.00 179.01 179.91 1kkb h LYS 160 N -0.50 0.94 -0.12 2.33 1.57 0.70 -2.41 116.57 119.07 1kkb h LYS 160 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1kkb h LYS 160 Cb 0.69 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1kkb h LYS 160 CO 0.01 0.62 0.07 1.25 -0.57 0.00 0.00 179.45 180.83 1kkb h LEU 161 N 0.97 0.15 -0.30 2.94 5.85 0.13 -2.07 115.31 122.97 1kkb h LEU 161 Ca 0.27 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1kkb h LEU 161 Cb -0.08 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1kkb h LEU 161 CO -0.07 0.18 -0.13 0.50 -0.34 0.00 0.00 178.44 178.58 1kkb h LYS 162 N 0.11 -0.08 0.13 1.25 1.63 -0.91 -1.24 116.57 117.46 1kkb h LYS 162 Ca 0.04 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1kkb h LYS 162 Cb 0.06 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1kkb h LYS 162 CO -0.01 -0.05 -0.21 0.93 -3.45 0.00 0.00 179.45 176.66 1kkb h GLU 163 N -0.08 -0.39 -0.24 1.90 5.08 -1.31 0.13 114.58 119.67 1kkb h GLU 163 Ca 0.15 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1kkb h GLU 163 Cb 0.32 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1kkb h GLU 163 CO -0.36 -0.26 0.13 -0.24 -1.00 0.00 0.00 179.01 177.28 1kkb h VAL 164 N -0.41 1.11 -0.55 3.13 3.04 -1.22 -2.17 116.25 119.19 1kkb h VAL 164 Ca 0.02 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.32 1kkb h VAL 164 Cb 0.42 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 1kkb h VAL 164 CO -0.10 0.11 0.02 0.24 -1.01 0.00 0.00 177.57 176.82 1kkb h MET 165 N 0.27 0.96 -0.61 4.17 2.86 -1.20 -0.68 114.93 120.70 1kkb h MET 165 Ca 0.08 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1kkb h MET 165 Cb 0.06 -0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.52 1kkb h MET 165 CO -0.01 0.96 -0.13 1.49 1.06 0.00 0.00 176.91 180.27 1kkb h GLU 166 N 0.84 0.01 0.32 1.72 4.57 -0.55 -0.00 114.58 121.50 1kkb h GLU 166 Ca 0.16 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1kkb h GLU 166 Cb 0.52 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1kkb h GLU 166 CO 0.03 0.01 -0.16 -0.92 -1.18 0.00 0.00 179.01 176.79 1kkb h TYR 167 N 0.01 -0.40 -0.90 0.92 3.20 -0.85 -3.05 116.97 115.90 1kkb h TYR 167 Ca 0.30 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1kkb h TYR 167 Cb 0.46 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1kkb h TYR 167 CO -0.49 -0.14 0.60 0.45 -1.64 0.00 0.00 178.16 176.94 1kkb h HIS 168 N -0.61 1.13 -0.28 -3.82 3.86 -0.67 -2.97 115.15 111.79 1kkb h HIS 168 Ca -0.04 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1kkb h HIS 168 Cb 0.44 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1kkb h HIS 168 CO -0.01 0.70 -0.16 -0.91 0.86 0.00 0.00 177.93 178.41 1kkb h ASN 169 N 1.21 0.48 -0.33 2.45 2.35 -1.02 -0.27 115.58 120.45 1kkb h ASN 169 Ca 0.33 -0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1kkb h ASN 169 Cb -0.12 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1kkb h ASN 169 CO -0.08 0.67 0.13 0.15 -1.65 0.00 0.00 177.43 176.65 1kkb h PHE 170 N 0.45 0.23 -0.34 1.19 3.57 -1.41 0.13 116.94 120.75 1kkb h PHE 170 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1kkb h PHE 170 Cb 0.55 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1kkb h PHE 170 CO 0.02 0.10 -0.03 0.37 -2.23 0.00 0.00 178.31 176.54 1kkb h GLN 171 N 0.28 0.63 0.05 1.11 4.15 -1.47 0.72 115.11 120.57 1kkb h GLN 171 Ca 0.15 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1kkb h GLN 171 Cb 0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1kkb h GLN 171 CO -0.14 0.76 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.30 1kkb h LEU 172 N 0.43 -0.42 0.16 -2.39 3.38 -0.64 0.12 115.31 115.96 1kkb h LEU 172 Ca 0.09 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1kkb h LEU 172 Cb 0.50 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1kkb h LEU 172 CO 0.02 -0.21 -0.08 0.58 0.09 0.00 0.00 178.44 178.84 1kkb h VAL 173 N -0.27 0.00 -0.15 1.22 2.07 -0.74 0.57 116.25 118.95 1kkb h VAL 173 Ca 0.03 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1kkb h VAL 173 Cb 0.31 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1kkb h VAL 173 CO -0.11 0.00 -0.31 0.78 0.02 0.00 0.00 177.57 177.95 1kkb h ASN 174 N -1.02 0.28 0.00 0.57 2.35 0.35 -1.93 115.58 116.19 1kkb h ASN 174 Ca -0.02 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1kkb h ASN 174 Cb 0.17 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1kkb h ASN 174 CO 0.04 0.59 -1.06 0.00 -1.65 0.00 0.00 177.43 175.34 1kkb n TYR 175 N -4.11 0.00 1.92 1.19 4.19 -0.23 -4.60 117.16 115.52 1kkb n TYR 175 Ca -0.01 0.00 0.16 0.00 3.31 0.00 0.00 57.90 61.36 1kkb n TYR 175 Cb 0.41 -0.52 0.92 0.00 0.49 0.00 0.00 39.34 40.64 1kkb n TYR 175 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1kkb n TYR 176 N -4.44 0.00 -2.83 2.98 4.02 0.27 -4.90 117.16 112.26 1kkb n TYR 176 Ca -0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 1kkb n TYR 176 Cb 0.53 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.81 1kkb n TYR 176 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1kkb n LYS 177 N -1.00 -2.77 -3.73 -0.72 4.01 -0.67 -4.92 118.16 108.37 1kkb n LYS 177 Ca 0.23 0.46 -0.20 0.00 -0.51 0.00 0.00 58.31 58.28 1kkb n LYS 177 Cb 0.13 -5.09 -0.01 0.00 -0.51 0.00 0.00 35.03 29.55 1kkb n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1kkb s ALA 178 N -2.66 4.02 0.74 7.82 0.00 0.19 -4.94 121.76 126.93 1kkb s ALA 178 Ca 0.16 -1.29 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1kkb s ALA 178 Cb -0.09 -1.75 0.04 0.00 0.00 0.00 0.00 23.12 21.33 1kkb s ALA 178 CO 0.20 0.11 1.15 -1.21 0.00 0.00 0.00 175.76 176.01 1kkb s GLU 179 N -4.09 2.20 0.16 0.00 0.41 -1.26 -3.28 118.70 112.83 1kkb s GLU 179 Ca 0.39 1.53 -0.19 0.00 -0.41 0.00 0.00 54.97 56.29 1kkb s GLU 179 Cb -0.09 -1.86 -0.07 0.00 -1.78 0.00 0.00 34.13 30.32 1kkb s GLU 179 CO 0.30 -1.74 0.64 0.00 -0.49 0.00 0.00 175.26 173.97 1kkb s ALA 180 N -2.32 3.51 -0.15 5.21 0.00 -1.26 -4.61 121.76 122.14 1kkb s ALA 180 Ca 0.69 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1kkb s ALA 180 Cb -0.24 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1kkb s ALA 180 CO 0.47 0.38 0.28 0.14 0.00 0.00 0.00 175.76 177.03 1kkb s VAL 181 N -1.35 5.31 0.18 0.00 -7.23 -1.26 -5.04 120.40 111.00 1kkb s VAL 181 Ca 0.37 0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 1kkb s VAL 181 Cb -0.18 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.07 1kkb s VAL 181 CO 0.21 0.41 1.30 -0.62 -0.31 0.00 0.00 175.10 176.09 1kkb s ASP 182 N 0.31 6.92 0.03 4.85 2.15 -1.26 -4.98 116.67 124.70 1kkb s ASP 182 Ca 0.16 2.34 -0.26 0.00 0.43 0.00 0.00 52.55 55.23 1kkb s ASP 182 Cb -0.13 -2.60 -0.17 0.00 -0.30 0.00 0.00 42.92 39.72 1kkb s ASP 182 CO 0.04 -0.52 1.43 0.22 -0.17 0.00 0.00 175.17 176.17 1kkb h TYR 183 N 5.62 -0.30 -0.88 -5.34 3.20 -1.98 -2.53 116.97 114.77 1kkb h TYR 183 Ca -0.44 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.48 1kkb h TYR 183 Cb 1.21 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1kkb h TYR 183 CO 0.63 -0.03 0.57 0.37 -1.64 0.00 0.00 178.16 178.05 1kkb h GLN 184 N -0.55 0.96 0.24 1.82 5.75 -1.98 0.00 115.11 121.35 1kkb h GLN 184 Ca -0.03 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1kkb h GLN 184 Cb 0.40 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1kkb h GLN 184 CO 0.05 0.63 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.54 1kkb h LYS 185 N 0.99 -0.31 -0.44 1.69 3.64 -1.96 0.18 116.57 120.36 1kkb h LYS 185 Ca 0.38 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1kkb h LYS 185 Cb 0.20 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1kkb h LYS 185 CO -0.14 -0.07 0.27 0.28 -2.27 0.00 0.00 179.45 177.53 1kkb h VAL 186 N -0.52 1.12 -0.04 2.00 2.07 -1.18 -0.78 116.25 118.92 1kkb h VAL 186 Ca -0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1kkb h VAL 186 Cb 0.38 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1kkb h VAL 186 CO 0.05 0.13 0.01 0.25 0.02 0.00 0.00 177.57 178.03 1kkb h LEU 187 N 0.60 0.07 -0.16 2.57 5.85 -0.68 -0.81 115.31 122.75 1kkb h LEU 187 Ca 0.16 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1kkb h LEU 187 Cb -0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1kkb h LEU 187 CO -0.03 0.29 0.00 0.44 -0.34 0.00 0.00 178.44 178.80 1kkb h ASP 188 N -0.16 -0.05 -0.12 1.25 3.45 -0.15 -0.17 116.42 120.46 1kkb h ASP 188 Ca 0.01 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1kkb h ASP 188 Cb 0.25 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1kkb h ASP 188 CO 0.00 -0.00 0.07 0.44 -1.57 0.00 0.00 179.24 178.18 1kkb h ASP 189 N 0.06 0.12 0.84 6.45 3.32 -1.13 -2.93 116.42 123.14 1kkb h ASP 189 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1kkb h ASP 189 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1kkb h ASP 189 CO -0.12 0.09 -0.46 0.74 -1.72 0.00 0.00 179.24 177.77 1kkb h THR 190 N 0.15 0.00 0.00 0.35 2.02 -0.91 -2.76 112.91 111.75 1kkb h THR 190 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1kkb h THR 190 Cb -0.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1kkb h THR 190 CO -0.02 0.00 0.02 0.23 0.37 0.00 0.00 175.52 176.12 1kkb n MET 191 N -5.37 0.00 0.00 6.66 2.81 -0.10 -0.69 117.12 120.43 1kkb n MET 191 Ca -0.15 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1kkb n MET 191 Cb 0.48 -1.52 0.26 0.00 -0.71 0.00 0.00 33.22 31.73 1kkb n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kkb n ALA 192 N -1.16 3.06 -0.07 3.04 0.00 -1.04 -4.06 120.51 120.27 1kkb n ALA 192 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1kkb n ALA 192 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1kkb n ALA 192 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1kkb n VAL 193 N -0.07 0.00 -0.29 0.00 0.24 0.13 -4.85 118.33 113.48 1kkb n VAL 193 Ca 0.13 -0.20 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1kkb n VAL 193 Cb 0.42 1.07 0.09 0.00 -1.47 0.00 0.00 33.84 33.94 1kkb n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkb h ALA 194 N 0.00 0.43 -0.03 2.33 0.00 -1.57 -0.66 119.26 119.76 1kkb h ALA 194 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1kkb h ALA 194 Cb 0.04 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1kkb h ALA 194 CO 0.00 -0.46 -0.21 -0.44 0.00 0.00 0.00 179.25 178.13 1kkb h ASP 195 N -0.02 0.04 0.43 0.00 3.32 -1.89 -2.65 116.42 115.66 1kkb h ASP 195 Ca 0.37 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1kkb h ASP 195 Cb 0.60 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1kkb h ASP 195 CO -0.85 0.26 -0.21 0.40 -1.72 0.00 0.00 179.24 177.11 1kkb h ILE 196 N 0.04 0.00 -0.21 0.35 2.04 -1.48 -2.90 117.51 115.35 1kkb h ILE 196 Ca 0.01 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1kkb h ILE 196 Cb 0.40 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 1kkb h ILE 196 CO 0.03 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.65 1kkb h LEU 197 N -0.79 -1.47 -1.79 1.44 4.07 -1.55 -0.06 115.31 115.17 1kkb h LEU 197 Ca -0.06 0.20 0.17 0.00 0.08 0.00 0.00 57.88 58.27 1kkb h LEU 197 Cb 0.45 0.60 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1kkb h LEU 197 CO 0.10 -0.43 0.64 0.71 -1.08 0.00 0.00 178.44 178.38 1kkb h THR 198 N -0.47 0.29 0.00 0.22 1.35 -1.56 0.68 112.91 113.42 1kkb h THR 198 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1kkb h THR 198 Cb 0.63 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1kkb h THR 198 CO -0.46 0.00 -0.30 -1.54 -0.25 0.00 0.00 175.52 172.97 1kkb n SER 199 N -3.64 0.69 0.01 5.36 3.41 -0.05 -3.17 113.62 116.23 1kkb n SER 199 Ca 0.12 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.16 1kkb n SER 199 Cb 0.86 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1kkb n SER 199 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1kkb n MET 200 N -2.09 0.16 -1.74 4.33 2.81 0.23 -4.93 117.12 115.89 1kkb n MET 200 Ca 0.05 -0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 1kkb n MET 200 Cb 0.42 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 1kkb n MET 200 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1kkb n VAL 201 N -1.76 1.69 -4.02 2.03 0.31 -0.91 -2.21 118.33 113.47 1kkb n VAL 201 Ca 0.03 -0.42 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 1kkb n VAL 201 Cb 0.39 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1kkb n VAL 201 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1kkb s VAL 202 N -0.77 0.00 -0.74 2.52 0.11 -0.96 -4.89 120.40 115.67 1kkb s VAL 202 Ca 0.57 -1.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.00 1kkb s VAL 202 Cb -0.52 -2.39 0.16 0.00 -1.53 0.00 0.00 36.38 32.09 1kkb s VAL 202 CO 0.59 0.00 0.79 -0.62 -3.33 0.00 0.00 175.10 172.52 1kkb s ASP 203 N -3.09 6.49 0.10 3.54 3.68 -1.26 -4.42 116.67 121.72 1kkb s ASP 203 Ca 0.25 -2.08 -0.22 0.00 2.13 0.00 0.00 52.55 52.63 1kkb s ASP 203 Cb -0.01 -2.27 -0.12 0.00 -1.45 0.00 0.00 42.92 39.07 1kkb s ASP 203 CO 0.12 -0.87 1.75 0.58 0.13 0.00 0.00 175.17 176.89 1kkb h VAL 204 N 5.47 1.01 -0.45 1.11 2.07 -1.90 0.26 116.25 123.81 1kkb h VAL 204 Ca -0.05 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1kkb h VAL 204 Cb 1.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1kkb h VAL 204 CO 0.96 0.01 -0.16 0.77 0.02 0.00 0.00 177.57 179.18 1kkb h SER 205 N 0.08 0.87 -0.21 0.57 4.64 -1.86 0.15 113.55 117.78 1kkb h SER 205 Ca 0.03 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 1kkb h SER 205 Cb -0.00 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1kkb h SER 205 CO -0.01 1.02 -0.35 -0.78 -0.87 0.00 0.00 176.83 175.84 1kkb h ASP 206 N 0.77 0.68 0.10 4.97 3.58 -1.90 -2.62 116.42 121.99 1kkb h ASP 206 Ca 0.12 -0.53 0.02 0.00 0.42 0.00 0.00 57.03 57.06 1kkb h ASP 206 Cb 0.68 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 1kkb h ASP 206 CO 0.05 1.08 -0.49 0.25 -2.88 0.00 0.00 179.24 177.25 1kkb h LEU 207 N 0.31 -1.48 -2.12 2.28 6.46 0.09 -1.96 115.31 118.89 1kkb h LEU 207 Ca 0.02 0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1kkb h LEU 207 Cb 0.94 0.55 -0.00 0.00 -0.73 0.00 0.00 40.66 41.42 1kkb h LEU 207 CO 0.08 -0.53 0.05 -0.07 -0.62 0.00 0.00 178.44 177.34 1kkb h LEU 208 N -0.71 0.00 -0.69 2.25 3.38 -0.81 -2.39 115.31 116.35 1kkb h LEU 208 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1kkb h LEU 208 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1kkb h LEU 208 CO -0.29 0.00 0.31 -0.78 0.09 0.00 0.00 178.44 177.77 1kkb h ASP 209 N 0.00 0.92 -0.12 -0.43 -0.00 -0.96 -1.59 116.42 114.24 1kkb h ASP 209 Ca 0.03 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.03 56.89 1kkb h ASP 209 Cb 0.12 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.21 1kkb h ASP 209 CO -0.00 0.81 0.00 1.56 -0.00 0.00 0.00 179.24 181.61 1kkb h GLN 210 N 0.96 0.21 -0.53 0.28 1.08 -1.22 0.41 115.11 116.30 1kkb h GLN 210 Ca 0.23 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1kkb h GLN 210 Cb 0.15 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1kkb h GLN 210 CO -0.03 0.45 0.26 0.00 -0.95 0.00 0.00 178.83 178.57 1kkb h ALA 211 N 0.75 0.69 0.08 3.87 0.00 -1.44 0.23 119.26 123.45 1kkb h ALA 211 Ca 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kkb h ALA 211 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kkb h ALA 211 CO 0.01 -0.09 -0.04 -0.09 0.00 0.00 0.00 179.25 179.03 1kkb h ARG 212 N 0.50 -0.11 -0.36 0.00 1.12 -1.14 0.66 114.38 115.06 1kkb h ARG 212 Ca 0.24 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.16 1kkb h ARG 212 Cb 0.17 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1kkb h ARG 212 CO -0.18 -0.06 0.24 1.96 -3.11 0.00 0.00 179.97 178.83 1kkb h GLN 213 N -0.13 0.32 0.00 0.20 4.20 -0.52 -2.30 115.11 116.88 1kkb h GLN 213 Ca -0.01 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1kkb h GLN 213 Cb 0.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1kkb h GLN 213 CO 0.02 0.21 -0.73 0.00 -0.67 0.00 0.00 178.83 177.67 1kkb h ARG 214 N 0.33 0.00 -0.08 1.46 3.08 -0.08 -3.48 114.38 115.61 1kkb h ARG 214 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1kkb h ARG 214 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1kkb h ARG 214 CO -0.03 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.60 1kkb n GLY 215 N 1.25 1.39 3.82 0.04 0.00 0.21 -5.07 105.19 106.81 1kkb n GLY 215 Ca -0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1kkb n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkb s ASP 216 N -2.28 6.04 -0.56 1.61 -0.00 0.22 -4.98 116.67 116.73 1kkb s ASP 216 Ca 0.00 1.74 -0.26 0.00 -0.00 0.00 0.00 52.55 54.02 1kkb s ASP 216 Cb 0.00 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.43 1kkb s ASP 216 CO 0.00 -0.99 1.08 -0.36 -0.00 0.00 0.00 175.17 174.90 1kkb s PHE 217 N -2.51 2.70 -0.14 4.23 0.40 -1.26 -4.53 117.98 116.87 1kkb s PHE 217 Ca 0.62 0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 57.16 1kkb s PHE 217 Cb -0.14 -4.31 -0.03 0.00 0.51 0.00 0.00 43.02 39.05 1kkb s PHE 217 CO 0.35 -1.46 0.02 0.08 0.70 0.00 0.00 175.22 174.92 1kkb s VAL 218 N 4.47 4.41 -0.24 -0.44 1.01 0.92 -2.09 120.40 128.44 1kkb s VAL 218 Ca 0.38 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1kkb s VAL 218 Cb -0.10 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.40 1kkb s VAL 218 CO 0.23 0.52 -0.13 -0.32 0.00 0.00 0.00 175.10 175.40 1kkb s MET 219 N -0.09 2.45 -0.21 2.72 1.75 0.02 -1.39 119.30 124.56 1kkb s MET 219 Ca 0.05 -1.20 -0.16 0.00 -1.25 0.00 0.00 55.69 53.12 1kkb s MET 219 Cb -0.13 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.70 1kkb s MET 219 CO 0.02 -0.47 0.42 -0.06 -0.65 0.00 0.00 175.02 174.28 1kkb s PHE 220 N 1.16 3.36 -0.19 4.11 0.40 -0.88 0.76 117.98 126.69 1kkb s PHE 220 Ca -0.05 0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 56.86 1kkb s PHE 220 Cb -0.18 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1kkb s PHE 220 CO -0.07 -0.05 0.01 -2.00 0.70 0.00 0.00 175.22 173.81 1kkb s GLU 221 N 1.46 3.71 0.43 0.44 2.12 0.33 -1.96 118.70 125.24 1kkb s GLU 221 Ca 0.20 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1kkb s GLU 221 Cb -0.15 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1kkb s GLU 221 CO 0.08 0.09 0.65 0.20 -0.54 0.00 0.00 175.26 175.75 1kkb s GLY 222 N 0.82 1.54 0.26 -1.50 0.00 -0.69 -3.61 107.32 104.14 1kkb s GLY 222 Ca 0.01 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.75 1kkb s GLY 222 CO 0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 173.10 172.16 1kkb s ALA 223 N -2.52 2.23 0.00 3.20 0.00 -1.26 -4.85 121.76 118.56 1kkb s ALA 223 Ca 0.47 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1kkb s ALA 223 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1kkb s ALA 223 CO 0.38 -0.05 0.00 1.04 0.00 0.00 0.00 175.76 177.12 1kkb n GLN 224 N -0.52 0.00 -3.46 0.00 3.00 -1.26 -4.81 117.38 110.33 1kkb n GLN 224 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1kkb n GLN 224 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.85 1kkb n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1kkb s GLY 225 N -1.41 -0.56 0.33 1.08 0.00 -1.26 -3.06 107.32 102.44 1kkb s GLY 225 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 44.72 45.43 1kkb s GLY 225 CO 0.00 0.19 1.50 2.41 0.00 0.00 0.00 173.10 177.20 1kkb n THR 226 N -0.35 -0.40 1.95 0.90 -1.04 0.24 -0.36 114.28 115.22 1kkb n THR 226 Ca -0.14 2.01 0.03 0.00 -2.04 0.00 0.00 64.05 63.91 1kkb n THR 226 Cb 0.64 -3.11 0.18 0.00 -1.82 0.00 0.00 70.33 66.22 1kkb n THR 226 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kkb n LEU 227 N -5.27 0.09 -0.36 -4.42 4.77 -0.19 -2.59 117.00 109.02 1kkb n LEU 227 Ca 0.30 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1kkb n LEU 227 Cb 1.00 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 42.17 1kkb n LEU 227 CO -0.03 0.02 0.57 0.18 -1.33 0.00 0.00 177.39 176.81 1kkb n LEU 228 N -0.54 2.53 -4.77 2.23 4.77 0.52 -2.38 117.00 119.35 1kkb n LEU 228 Ca 0.05 -2.01 -0.41 0.00 -0.03 0.00 0.00 56.01 53.61 1kkb n LEU 228 Cb 0.03 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1kkb n LEU 228 CO 0.04 0.63 1.10 -0.62 -1.33 0.00 0.00 177.39 177.20 1kkb s ASP 229 N -1.01 6.47 0.43 -1.43 2.15 -1.07 0.03 116.67 122.25 1kkb s ASP 229 Ca 0.13 2.93 0.16 0.00 0.43 0.00 0.00 52.55 56.21 1kkb s ASP 229 Cb 0.07 -2.66 0.97 0.00 -0.30 0.00 0.00 42.92 41.00 1kkb s ASP 229 CO 0.09 -0.77 1.94 -0.29 -0.17 0.00 0.00 175.17 175.96 1kkb h ILE 230 N 3.02 1.08 0.00 4.11 6.09 -1.40 0.68 117.51 131.09 1kkb h ILE 230 Ca -0.50 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 1kkb h ILE 230 Cb 1.23 1.48 0.00 0.00 0.47 0.00 0.00 36.82 40.00 1kkb h ILE 230 CO 0.65 0.24 -0.07 0.47 -3.07 0.00 0.00 178.15 176.37 1kkb n ASP 231 N -4.11 0.19 0.00 2.19 8.00 -1.26 -4.64 116.55 116.91 1kkb n ASP 231 Ca -0.02 0.17 0.13 0.00 0.71 0.00 0.00 54.79 55.78 1kkb n ASP 231 Cb 0.31 -0.53 0.77 0.00 -0.02 0.00 0.00 41.12 41.65 1kkb n ASP 231 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1kkb n HIS 232 N -2.59 0.00 -1.56 1.24 8.25 -1.26 -4.84 115.22 114.47 1kkb n HIS 232 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1kkb n HIS 232 Cb 0.04 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.09 1kkb n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkb n GLY 233 N 0.75 -0.33 2.62 -1.41 0.00 0.23 -4.81 105.19 102.24 1kkb n GLY 233 Ca 0.18 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1kkb n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kkb n THR 234 N -1.81 4.22 -1.70 2.61 -2.24 -1.00 -4.36 114.28 110.00 1kkb n THR 234 Ca 0.01 -3.51 -0.43 0.00 -2.27 0.00 0.00 64.05 57.85 1kkb n THR 234 Cb 0.03 -2.45 -0.01 0.00 -2.10 0.00 0.00 70.33 65.79 1kkb n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkb n TYR 235 N 4.11 2.33 0.18 4.78 4.19 -1.26 -0.72 117.16 130.76 1kkb n TYR 235 Ca 0.57 0.47 0.04 0.00 3.31 0.00 0.00 57.90 62.28 1kkb n TYR 235 Cb 0.32 -2.46 0.19 0.00 0.49 0.00 0.00 39.34 37.88 1kkb n TYR 235 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1kkb n PRO 236 N 1.31 2.76 -2.89 2.98 -0.04 -1.26 0.48 135.00 138.33 1kkb n PRO 236 Ca 0.08 -1.48 -0.43 0.00 -0.04 0.00 0.00 63.50 61.63 1kkb n PRO 236 Cb 0.34 -1.81 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1kkb n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kkb n TYR 237 N 0.32 2.32 -4.08 0.54 4.01 0.10 -4.90 117.16 115.48 1kkb n TYR 237 Ca 0.13 -2.59 -0.10 0.00 -0.16 0.00 0.00 57.90 55.18 1kkb n TYR 237 Cb 0.66 -1.34 -0.04 0.00 -0.31 0.00 0.00 39.34 38.32 1kkb n TYR 237 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1kkb n VAL 238 N 1.48 0.00 -3.15 -0.72 0.24 -1.26 -4.30 118.33 110.62 1kkb n VAL 238 Ca 0.29 -1.26 -0.18 0.00 -2.04 0.00 0.00 64.34 61.15 1kkb n VAL 238 Cb 0.33 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1kkb n VAL 238 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kkb s THR 239 N -2.72 2.88 -2.10 3.34 -1.32 0.10 -5.02 115.64 110.80 1kkb s THR 239 Ca 0.21 -1.09 0.14 0.00 -1.21 0.00 0.00 61.69 59.75 1kkb s THR 239 Cb 0.01 -2.97 0.36 0.00 -1.51 0.00 0.00 72.50 68.39 1kkb s THR 239 CO 0.15 0.00 1.38 -1.20 -2.21 0.00 0.00 174.62 172.73 1kkb n SER 240 N -1.79 1.63 -4.29 8.08 7.64 -1.26 -3.60 113.62 120.04 1kkb n SER 240 Ca 0.07 -1.86 -0.26 0.00 1.01 0.00 0.00 58.87 57.83 1kkb n SER 240 Cb 0.60 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.55 1kkb n SER 240 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kkb s SER 241 N -1.24 2.93 -0.46 6.43 1.04 -1.26 -4.84 113.70 116.31 1kkb s SER 241 Ca 0.26 -1.61 -0.20 0.00 0.48 0.00 0.00 55.95 54.88 1kkb s SER 241 Cb 0.14 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1kkb s SER 241 CO 0.19 -0.85 0.64 0.20 0.98 0.00 0.00 173.24 174.40 1kkb s ASN 242 N -3.63 6.29 0.00 7.02 -0.87 -1.26 -1.77 114.94 120.73 1kkb s ASN 242 Ca 0.24 -0.50 0.26 0.00 -1.57 0.00 0.00 52.86 51.29 1kkb s ASN 242 Cb 0.04 -2.31 1.18 0.00 -0.02 0.00 0.00 41.25 40.14 1kkb s ASN 242 CO 0.13 -0.81 1.80 0.35 -2.57 0.00 0.00 177.10 176.00 1kkb n THR 243 N 5.78 0.05 -3.29 1.60 -2.24 -1.26 -4.31 114.28 110.61 1kkb n THR 243 Ca -0.03 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1kkb n THR 243 Cb 0.47 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1kkb n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kkb s THR 244 N -1.95 4.81 0.66 4.28 -4.23 -1.26 -4.31 115.64 113.63 1kkb s THR 244 Ca 0.38 0.74 0.09 0.00 -1.18 0.00 0.00 61.69 61.71 1kkb s THR 244 Cb 0.20 -3.64 0.10 0.00 1.34 0.00 0.00 72.50 70.49 1kkb s THR 244 CO 0.31 -0.06 1.24 0.00 -0.54 0.00 0.00 174.62 175.58 1kkb h ALA 245 N 2.62 1.91 0.00 3.99 0.00 -1.88 0.35 119.26 126.25 1kkb h ALA 245 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1kkb h ALA 245 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kkb h ALA 245 CO 0.67 -0.89 -0.09 0.78 0.00 0.00 0.00 179.25 179.72 1kkb h GLY 246 N 0.00 0.00 1.22 0.00 0.00 -1.91 -1.27 103.07 101.11 1kkb h GLY 246 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1kkb h GLY 246 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1kkb n GLY 247 N -0.36 -0.97 0.11 4.60 0.00 0.12 -3.26 105.19 105.44 1kkb n GLY 247 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1kkb n GLY 247 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kkb h VAL 248 N 0.00 1.45 0.00 1.61 2.07 -1.39 -2.50 116.25 117.49 1kkb h VAL 248 Ca 0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 1kkb h VAL 248 Cb 0.09 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1kkb h VAL 248 CO 0.00 0.48 -0.23 0.00 0.02 0.00 0.00 177.57 177.83 1kkb h ALA 249 N 0.40 0.86 0.12 1.67 0.00 -1.72 -2.95 119.26 117.65 1kkb h ALA 249 Ca -0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 1kkb h ALA 249 Cb 0.90 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kkb h ALA 249 CO 0.05 0.29 -1.43 1.79 0.00 0.00 0.00 179.25 179.95 1kkb h THR 250 N 0.00 1.27 -0.50 0.00 1.35 -1.61 -2.54 112.91 110.87 1kkb h THR 250 Ca -0.00 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1kkb h THR 250 Cb 1.11 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 1kkb h THR 250 CO 0.03 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1kkb n GLY 251 N 1.62 2.08 0.50 5.82 0.00 -0.94 -4.49 105.19 109.77 1kkb n GLY 251 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1kkb n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kkb n SER 252 N 1.39 1.84 0.00 1.61 3.41 -1.11 -0.91 113.62 119.85 1kkb n SER 252 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1kkb n SER 252 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1kkb n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkb n GLY 253 N 2.90 0.74 3.77 5.00 0.00 -0.96 -3.40 105.19 113.24 1kkb n GLY 253 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1kkb n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kkb s LEU 254 N 0.00 3.99 0.22 0.99 2.96 -1.24 -4.79 118.68 120.80 1kkb s LEU 254 Ca 0.00 2.28 -0.31 0.00 -0.22 0.00 0.00 54.13 55.88 1kkb s LEU 254 Cb 0.00 -4.28 -0.11 0.00 0.50 0.00 0.00 46.19 42.30 1kkb s LEU 254 CO 0.00 -0.94 1.57 -0.83 -1.32 0.00 0.00 176.35 174.83 1kkb s GLY 255 N -1.42 1.78 0.60 7.98 0.00 -1.26 -4.47 107.32 110.54 1kkb s GLY 255 Ca 0.64 1.44 0.31 0.00 0.00 0.00 0.00 44.72 47.11 1kkb s GLY 255 CO 0.33 2.58 2.14 -0.56 0.00 0.00 0.00 173.10 177.59 1kkb h PRO 256 N 6.02 0.00 -0.00 2.90 0.13 -1.93 -0.62 132.00 138.50 1kkb h PRO 256 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1kkb h PRO 256 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kkb h PRO 256 CO 0.87 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 1kkb n ARG 257 N -3.65 1.09 0.00 0.86 1.74 -1.26 -3.64 116.66 111.80 1kkb n ARG 257 Ca 0.00 -0.14 0.10 0.00 -0.77 0.00 0.00 57.85 57.04 1kkb n ARG 257 Cb 0.26 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1kkb n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1kkb n TYR 258 N -0.82 0.00 -2.20 -1.55 4.01 -0.24 -4.92 117.16 111.43 1kkb n TYR 258 Ca 0.23 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 1kkb n TYR 258 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1kkb n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1kkb s VAL 259 N -2.11 3.77 -0.23 -0.72 1.01 -1.24 -4.57 120.40 116.31 1kkb s VAL 259 Ca 0.17 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1kkb s VAL 259 Cb 0.16 -3.69 -0.19 0.00 0.00 0.00 0.00 36.38 32.66 1kkb s VAL 259 CO 0.45 -0.04 -0.10 0.47 0.00 0.00 0.00 175.10 175.88 1kkb n ASP 260 N 6.01 2.01 -3.65 3.32 8.00 0.28 -4.96 116.55 127.57 1kkb n ASP 260 Ca 0.14 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1kkb n ASP 260 Cb 0.44 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.87 1kkb n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1kkb s TYR 261 N -2.53 -0.41 -0.42 1.24 6.14 -0.91 -4.82 117.35 115.65 1kkb s TYR 261 Ca -0.32 0.90 -0.17 0.00 0.64 0.00 0.00 57.07 58.12 1kkb s TYR 261 Cb 0.09 -0.07 0.02 0.00 0.42 0.00 0.00 41.96 42.42 1kkb s TYR 261 CO 0.63 -0.37 0.42 0.08 0.64 0.00 0.00 175.55 176.95 1kkb s VAL 262 N 2.41 5.12 -0.25 3.14 1.01 -1.26 0.49 120.40 131.06 1kkb s VAL 262 Ca 0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1kkb s VAL 262 Cb -0.12 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1kkb s VAL 262 CO -0.09 -0.41 0.41 -0.22 0.00 0.00 0.00 175.10 174.79 1kkb s LEU 263 N 2.06 4.08 -0.23 3.92 2.96 0.59 0.77 118.68 132.82 1kkb s LEU 263 Ca 0.11 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 1kkb s LEU 263 Cb -0.17 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1kkb s LEU 263 CO 0.13 -0.17 0.23 -0.83 -1.32 0.00 0.00 176.35 174.38 1kkb s GLY 264 N 1.43 2.00 -0.32 7.98 0.00 0.46 -1.23 107.32 117.64 1kkb s GLY 264 Ca 0.18 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 1kkb s GLY 264 CO 0.09 0.53 0.72 -0.42 0.00 0.00 0.00 173.10 174.02 1kkb s ILE 265 N 1.20 4.84 -0.24 0.90 -1.09 -0.38 -1.05 121.20 125.38 1kkb s ILE 265 Ca 0.11 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.52 1kkb s ILE 265 Cb -0.14 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1kkb s ILE 265 CO 0.06 -0.24 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.17 1kkb s LEU 266 N 2.83 3.11 0.35 2.97 2.96 0.24 -2.56 118.68 128.58 1kkb s LEU 266 Ca 0.29 -1.20 -0.26 0.00 -0.22 0.00 0.00 54.13 52.73 1kkb s LEU 266 Cb -0.14 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.92 1kkb s LEU 266 CO 0.13 -0.14 1.06 -0.75 -1.32 0.00 0.00 176.35 175.33 1kkb s LYS 267 N 1.15 4.37 0.01 1.98 2.20 -1.26 -0.94 119.74 127.25 1kkb s LYS 267 Ca -0.05 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.18 1kkb s LYS 267 Cb -0.18 -2.81 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1kkb s LYS 267 CO -0.07 0.02 0.96 0.00 -0.36 0.00 0.00 175.35 175.89 1kkb n ALA 268 N 0.46 0.87 -3.09 3.13 0.00 -0.24 -4.67 120.51 116.98 1kkb n ALA 268 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1kkb n ALA 268 Cb 0.48 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1kkb n ALA 268 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1kkb s TYR 269 N -2.89 0.07 0.32 0.00 -0.85 -1.26 -4.28 117.35 108.46 1kkb s TYR 269 Ca -0.00 -0.42 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 1kkb s TYR 269 Cb 0.00 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1kkb s TYR 269 CO 0.01 -0.85 0.50 -1.12 -1.52 0.00 0.00 175.55 172.57 1kkb s SER 270 N -2.91 6.28 0.00 -0.18 0.01 0.98 -4.82 113.70 113.07 1kkb s SER 270 Ca 0.12 0.32 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 1kkb s SER 270 Cb 0.01 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.32 1kkb s SER 270 CO -0.02 -0.25 0.42 0.42 0.41 0.00 0.00 173.24 174.22 1kkb s THR 271 N -2.23 0.05 -0.08 1.44 -4.23 -1.26 -1.05 115.64 108.28 1kkb s THR 271 Ca 0.39 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1kkb s THR 271 Cb -0.09 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1kkb s THR 271 CO 0.34 -0.21 0.20 -0.13 -0.54 0.00 0.00 174.62 174.28 1kkb s ARG 272 N -1.80 0.22 -0.10 3.99 0.52 -0.36 -4.48 118.95 116.94 1kkb s ARG 272 Ca -0.10 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 1kkb s ARG 272 Cb -0.02 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.53 1kkb s ARG 272 CO 0.02 -0.05 -0.14 0.08 0.02 0.00 0.00 175.30 175.23 1kkb s VAL 273 N 0.32 1.37 0.00 3.52 1.01 -1.26 -1.02 120.40 124.34 1kkb s VAL 273 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1kkb s VAL 273 Cb -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1kkb s VAL 273 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1kkb n GLY 274 N 4.18 2.15 3.71 4.51 0.00 -1.26 -5.01 105.19 113.48 1kkb n GLY 274 Ca -0.19 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1kkb n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkb s ALA 275 N -2.67 1.52 0.00 4.61 0.00 0.21 -4.97 121.76 120.46 1kkb s ALA 275 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1kkb s ALA 275 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1kkb s ALA 275 CO 0.00 -2.38 0.00 0.41 0.00 0.00 0.00 175.76 173.79 1kkb n GLY 276 N -1.03 3.88 3.67 0.00 0.00 -1.26 -4.87 105.19 105.59 1kkb n GLY 276 Ca 0.07 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1kkb n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kkb n PRO 277 N -1.60 1.69 -2.86 1.61 -0.04 -1.26 -5.00 135.00 127.54 1kkb n PRO 277 Ca 0.00 0.60 -0.02 0.00 -0.04 0.00 0.00 63.50 64.05 1kkb n PRO 277 Cb 0.00 -2.27 0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1kkb n PRO 277 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1kkb s PHE 278 N -1.24 -1.21 0.07 0.54 5.36 -1.26 -5.08 117.98 115.16 1kkb s PHE 278 Ca 0.63 -0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 56.21 1kkb s PHE 278 Cb -0.52 0.23 -0.08 0.00 -0.34 0.00 0.00 43.02 42.31 1kkb s PHE 278 CO 0.57 -0.90 1.34 -1.35 -1.46 0.00 0.00 175.22 173.42 1kkb h PRO 279 N 5.42 -0.38 -0.46 10.12 0.11 -1.94 -2.75 132.00 142.11 1kkb h PRO 279 Ca 0.03 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1kkb h PRO 279 Cb 1.16 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1kkb h PRO 279 CO -0.00 -0.26 0.00 0.25 -0.21 0.00 0.00 178.00 177.78 1kkb n THR 280 N -4.35 0.02 -2.11 -1.15 -2.24 -1.26 -4.78 114.28 98.41 1kkb n THR 280 Ca -0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1kkb n THR 280 Cb 0.24 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1kkb n THR 280 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kkb s GLU 281 N -0.94 4.32 -0.04 -0.78 2.12 -1.04 -2.01 118.70 120.34 1kkb s GLU 281 Ca 0.00 2.17 0.02 0.00 0.36 0.00 0.00 54.97 57.53 1kkb s GLU 281 Cb 0.00 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 1kkb s GLU 281 CO 0.00 -0.37 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.75 1kkb s LEU 282 N 0.09 3.05 -0.10 2.70 1.43 -0.26 -4.94 118.68 120.65 1kkb s LEU 282 Ca 0.60 -0.11 0.14 0.00 -1.03 0.00 0.00 54.13 53.73 1kkb s LEU 282 Cb -0.39 -1.69 0.23 0.00 0.03 0.00 0.00 46.19 44.37 1kkb s LEU 282 CO 0.38 0.33 1.12 0.49 0.23 0.00 0.00 176.35 178.90 1kkb n PHE 283 N 2.02 0.00 -4.53 0.29 3.72 -1.26 -4.63 117.46 113.07 1kkb n PHE 283 Ca -0.17 -0.77 -0.27 0.00 -0.05 0.00 0.00 57.45 56.19 1kkb n PHE 283 Cb 0.53 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 1kkb n PHE 283 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1kkb s ASP 284 N -2.41 3.92 0.44 4.37 3.84 -1.26 -4.97 116.67 120.60 1kkb s ASP 284 Ca 0.25 -1.27 0.32 0.00 -0.00 0.00 0.00 52.55 51.85 1kkb s ASP 284 Cb 0.22 -0.40 1.49 0.00 -1.38 0.00 0.00 42.92 42.85 1kkb s ASP 284 CO 0.01 -0.38 1.56 -1.84 -0.00 0.00 0.00 175.17 174.52 1kkb n GLU 285 N -0.95 -0.04 -0.29 2.11 -0.00 -1.26 0.22 120.64 120.43 1kkb n GLU 285 Ca -0.05 1.26 -0.04 0.00 -0.00 0.00 0.00 57.16 58.33 1kkb n GLU 285 Cb 0.66 -2.47 0.07 0.00 -0.00 0.00 0.00 31.44 29.69 1kkb n GLU 285 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1kkb h THR 286 N 0.00 1.21 0.00 3.84 2.02 -1.98 1.02 112.91 119.02 1kkb h THR 286 Ca 0.88 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 67.59 1kkb h THR 286 Cb 2.84 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1kkb h THR 286 CO -0.47 0.20 -0.37 1.23 0.37 0.00 0.00 175.52 176.48 1kkb h GLY 287 N 1.07 0.00 1.26 2.16 0.00 0.24 -2.44 103.07 105.35 1kkb h GLY 287 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.31 1kkb h GLY 287 CO -0.06 0.00 -1.51 -2.09 0.00 0.00 0.00 176.54 172.88 1kkb h GLU 288 N 0.00 0.29 -0.54 4.80 4.57 -0.62 -3.05 114.58 120.02 1kkb h GLU 288 Ca -0.00 -0.50 0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1kkb h GLU 288 Cb 1.01 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.73 1kkb h GLU 288 CO 0.05 1.18 0.20 0.35 -1.18 0.00 0.00 179.01 179.60 1kkb h PHE 289 N 0.08 0.34 -0.80 0.92 3.57 0.12 -0.39 116.94 120.79 1kkb h PHE 289 Ca -0.24 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 1kkb h PHE 289 Cb 2.03 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.66 1kkb h PHE 289 CO 0.07 0.10 0.35 -0.07 -2.23 0.00 0.00 178.31 176.53 1kkb h LEU 290 N 0.38 1.07 0.72 0.59 3.38 -1.53 -0.94 115.31 118.99 1kkb h LEU 290 Ca 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1kkb h LEU 290 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kkb h LEU 290 CO -0.27 0.93 -0.37 0.00 0.09 0.00 0.00 178.44 178.83 1kkb h LYS 292 N -1.00 1.19 -0.02 0.00 2.10 -1.20 -0.54 116.57 117.09 1kkb h LYS 292 Ca -0.10 -0.10 -0.17 0.00 -2.00 0.00 0.00 60.65 58.28 1kkb h LYS 292 Cb 0.77 -0.25 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1kkb h LYS 292 CO 0.15 0.82 -0.65 1.96 -2.00 0.00 0.00 179.45 179.73 1kkb h GLN 293 N 1.20 0.48 -0.02 0.07 1.08 -1.07 -3.22 115.11 113.65 1kkb h GLN 293 Ca 0.32 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1kkb h GLN 293 Cb -0.07 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1kkb h GLN 293 CO -0.06 1.13 0.00 0.41 -0.95 0.00 0.00 178.83 179.36 1kkb n GLY 294 N 0.99 -0.42 3.83 3.46 0.00 0.63 -4.90 105.19 108.78 1kkb n GLY 294 Ca -0.10 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 1kkb n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kkb n ASN 295 N -0.32 -1.77 -4.57 1.61 5.15 -0.35 -4.79 115.26 110.22 1kkb n ASN 295 Ca 0.21 -0.87 -0.36 0.00 -0.60 0.00 0.00 54.58 52.96 1kkb n ASN 295 Cb 0.25 -3.71 -0.03 0.00 -0.53 0.00 0.00 39.78 35.75 1kkb n ASN 295 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1kkb s GLU 296 N -6.29 3.27 -0.02 1.20 0.41 -0.42 -4.89 118.70 111.95 1kkb s GLU 296 Ca 0.17 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1kkb s GLU 296 Cb -0.09 -5.30 0.02 0.00 -1.78 0.00 0.00 34.13 26.99 1kkb s GLU 296 CO 0.84 -2.72 0.01 -0.06 -0.49 0.00 0.00 175.26 172.84 1kkb s PHE 297 N 6.86 0.15 0.00 1.61 0.08 -1.26 -0.48 117.98 124.95 1kkb s PHE 297 Ca 0.56 0.06 -0.39 0.00 0.12 0.00 0.00 56.93 57.28 1kkb s PHE 297 Cb -0.01 -0.28 -0.18 0.00 -0.57 0.00 0.00 43.02 41.98 1kkb s PHE 297 CO -0.02 -0.09 1.30 0.41 -0.10 0.00 0.00 175.22 176.72 1kkb n GLY 298 N 3.99 0.25 0.11 4.36 0.00 0.68 -4.76 105.19 109.80 1kkb n GLY 298 Ca -0.25 0.75 0.13 0.00 0.00 0.00 0.00 46.02 46.66 1kkb n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkb n ALA 299 N 2.49 2.92 -0.07 4.61 0.00 -1.26 0.13 120.51 129.34 1kkb n ALA 299 Ca 0.20 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1kkb n ALA 299 Cb 0.14 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1kkb n ALA 299 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kkb n THR 300 N -1.05 0.78 -0.06 0.00 -1.04 -1.26 -4.77 114.28 106.88 1kkb n THR 300 Ca 0.11 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.05 61.76 1kkb n THR 300 Cb 0.31 -1.01 -0.09 0.00 -1.82 0.00 0.00 70.33 67.72 1kkb n THR 300 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1kkb n THR 301 N -2.93 0.83 -0.60 12.58 -2.24 -1.25 -5.01 114.28 115.67 1kkb n THR 301 Ca -0.24 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1kkb n THR 301 Cb 0.76 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1kkb n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkb n GLY 302 N 2.33 0.64 3.76 3.38 0.00 0.36 -4.95 105.19 110.71 1kkb n GLY 302 Ca -0.21 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1kkb n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkb s ARG 303 N -1.08 4.59 0.16 1.61 0.52 -1.25 -4.34 118.95 119.17 1kkb s ARG 303 Ca 0.00 1.72 -0.32 0.00 -0.52 0.00 0.00 55.73 56.61 1kkb s ARG 303 Cb 0.00 -3.10 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 1kkb s ARG 303 CO 0.00 0.20 1.57 0.50 0.02 0.00 0.00 175.30 177.58 1kkb s ARG 304 N -1.58 4.22 0.06 3.54 3.52 -1.26 0.24 118.95 127.70 1kkb s ARG 304 Ca 0.46 2.35 -0.17 0.00 -0.13 0.00 0.00 55.73 58.24 1kkb s ARG 304 Cb -0.30 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1kkb s ARG 304 CO 0.38 -0.61 0.51 1.03 -0.81 0.00 0.00 175.30 175.81 1kkb s ARG 305 N 1.20 4.07 0.29 5.12 0.52 0.37 -4.84 118.95 125.69 1kkb s ARG 305 Ca 0.70 0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 56.22 1kkb s ARG 305 Cb -0.43 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 1kkb s ARG 305 CO 0.31 0.63 1.02 1.03 0.02 0.00 0.00 175.30 178.31 1kkb s ARG 306 N -1.24 4.62 0.26 3.54 0.52 -0.19 -4.90 118.95 121.57 1kkb s ARG 306 Ca 0.29 1.59 0.10 0.00 -0.52 0.00 0.00 55.73 57.19 1kkb s ARG 306 Cb -0.18 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 1kkb s ARG 306 CO 0.17 0.26 -0.17 0.95 0.02 0.00 0.00 175.30 176.53 1kkb s THR 307 N -1.31 2.20 0.09 0.02 -4.23 -1.26 -1.23 115.64 109.91 1kkb s THR 307 Ca 0.46 -2.32 -0.27 0.00 -1.18 0.00 0.00 61.69 58.38 1kkb s THR 307 Cb -0.27 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.42 1kkb s THR 307 CO 0.34 -0.45 1.10 -0.83 -0.54 0.00 0.00 174.62 174.24 1kkb s GLY 308 N -3.45 -0.24 0.87 3.99 0.00 -0.22 -1.10 107.32 107.17 1kkb s GLY 308 Ca 0.28 0.24 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 1kkb s GLY 308 CO 0.12 0.72 1.10 -0.98 0.00 0.00 0.00 173.10 174.06 1kkb s TRP 309 N -2.75 2.46 0.29 1.90 0.52 -0.85 -0.01 118.94 120.50 1kkb s TRP 309 Ca 0.15 1.20 -0.29 0.00 0.02 0.00 0.00 56.10 57.18 1kkb s TRP 309 Cb 0.01 -3.16 -0.10 0.00 -1.15 0.00 0.00 33.47 29.06 1kkb s TRP 309 CO 0.00 -2.24 1.38 -1.17 0.02 0.00 0.00 176.95 174.94 1kkb s LEU 310 N -6.10 4.40 -0.62 2.99 2.96 -1.22 -3.60 118.68 117.49 1kkb s LEU 310 Ca 0.63 2.68 -0.02 0.00 -0.22 0.00 0.00 54.13 57.20 1kkb s LEU 310 Cb -0.17 -3.64 0.16 0.00 0.50 0.00 0.00 46.19 43.04 1kkb s LEU 310 CO 0.56 -0.63 0.43 -0.62 -1.32 0.00 0.00 176.35 174.77 1kkb s ASP 311 N -0.04 5.12 0.39 3.68 -1.08 -1.26 0.17 116.67 123.65 1kkb s ASP 311 Ca 0.54 -2.91 0.24 0.00 -0.52 0.00 0.00 52.55 49.91 1kkb s ASP 311 Cb -0.41 -1.83 1.33 0.00 -1.46 0.00 0.00 42.92 40.55 1kkb s ASP 311 CO 0.48 -0.34 1.73 0.74 0.52 0.00 0.00 175.17 178.30 1kkb h THR 312 N 5.26 0.00 0.00 1.71 2.02 -1.45 -1.21 112.91 119.25 1kkb h THR 312 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1kkb h THR 312 Cb 0.94 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1kkb h THR 312 CO 0.71 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 177.16 1kkb h VAL 313 N 0.00 1.53 -0.07 3.16 2.07 -1.89 0.26 116.25 121.31 1kkb h VAL 313 Ca 0.00 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 1kkb h VAL 313 Cb 0.12 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1kkb h VAL 313 CO 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 177.57 177.99 1kkb h ALA 314 N -0.15 1.68 -0.12 1.67 0.00 -1.82 -1.82 119.26 118.69 1kkb h ALA 314 Ca -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1kkb h ALA 314 Cb 0.87 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1kkb h ALA 314 CO -0.00 0.24 -0.58 0.28 0.00 0.00 0.00 179.25 179.18 1kkb h VAL 315 N 0.10 1.34 -0.01 0.00 2.07 -1.25 -2.91 116.25 115.58 1kkb h VAL 315 Ca 0.02 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1kkb h VAL 315 Cb 0.28 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1kkb h VAL 315 CO 0.02 0.57 0.01 0.03 0.02 0.00 0.00 177.57 178.22 1kkb h ARG 316 N 0.26 0.00 0.34 1.57 3.08 0.34 0.21 114.38 120.18 1kkb h ARG 316 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1kkb h ARG 316 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1kkb h ARG 316 CO 0.12 0.00 -0.16 -0.09 -1.07 0.00 0.00 179.97 178.77 1kkb h ARG 317 N 0.00 -0.44 -0.90 0.04 9.65 -1.34 -2.56 114.38 118.83 1kkb h ARG 317 Ca 0.01 0.03 0.25 0.00 -1.10 0.00 0.00 59.98 59.16 1kkb h ARG 317 Cb 0.03 0.10 -0.15 0.00 -1.39 0.00 0.00 29.97 28.56 1kkb h ARG 317 CO -0.00 -0.12 0.26 0.00 2.80 0.00 0.00 179.97 182.91 1kkb h ALA 318 N -0.36 1.35 0.31 2.80 0.00 -1.13 0.13 119.26 122.35 1kkb h ALA 318 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1kkb h ALA 318 Cb 0.52 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1kkb h ALA 318 CO 0.08 -0.49 -0.39 0.28 0.00 0.00 0.00 179.25 178.72 1kkb h VAL 319 N 0.20 0.20 -0.45 0.00 2.07 -0.86 -1.13 116.25 116.28 1kkb h VAL 319 Ca 0.58 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.06 1kkb h VAL 319 Cb 1.19 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1kkb h VAL 319 CO -0.67 0.00 0.14 0.06 0.02 0.00 0.00 177.57 177.12 1kkb h GLN 320 N -0.75 0.71 -0.80 1.57 3.07 -0.61 -1.41 115.11 116.89 1kkb h GLN 320 Ca -0.01 -0.15 0.05 0.00 0.09 0.00 0.00 58.65 58.62 1kkb h GLN 320 Cb 0.70 -0.10 -0.06 0.00 0.08 0.00 0.00 27.48 28.10 1kkb h GLN 320 CO -0.12 0.68 0.49 -0.07 0.09 0.00 0.00 178.83 179.90 1kkb h LEU 321 N 0.60 0.78 -2.12 0.06 4.07 -0.73 -3.03 115.31 114.94 1kkb h LEU 321 Ca 0.15 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1kkb h LEU 321 Cb 0.27 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1kkb h LEU 321 CO -0.00 0.51 0.00 0.59 -1.08 0.00 0.00 178.44 178.46 1kkb n ASN 322 N -4.65 3.20 -3.96 -0.43 3.02 -0.44 -4.71 115.26 107.30 1kkb n ASN 322 Ca 0.10 -1.98 -0.30 0.00 -0.03 0.00 0.00 54.58 52.38 1kkb n ASN 322 Cb 0.15 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1kkb n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kkb n SER 323 N 1.40 -1.55 -4.74 6.41 3.41 -0.55 -4.80 113.62 113.19 1kkb n SER 323 Ca 0.16 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 1kkb n SER 323 Cb 0.59 -2.77 -0.01 0.00 -0.26 0.00 0.00 64.21 61.76 1kkb n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kkb n LEU 324 N -4.45 4.19 -0.01 1.04 4.77 -1.09 -4.48 117.00 116.96 1kkb n LEU 324 Ca -0.25 1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.89 1kkb n LEU 324 Cb 0.66 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.06 1kkb n LEU 324 CO 0.75 -0.02 -0.59 -1.20 -1.33 0.00 0.00 177.39 175.00 1kkb n SER 325 N 1.55 0.54 -3.65 -1.43 7.64 0.23 -4.93 113.62 113.57 1kkb n SER 325 Ca 0.07 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1kkb n SER 325 Cb 0.36 0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1kkb n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kkb s GLY 326 N -4.96 -0.30 0.21 0.23 0.00 -1.16 -4.60 107.32 96.74 1kkb s GLY 326 Ca -0.06 0.41 0.09 0.00 0.00 0.00 0.00 44.72 45.17 1kkb s GLY 326 CO 0.83 0.83 -0.09 -1.36 0.00 0.00 0.00 173.10 173.31 1kkb s PHE 327 N -2.57 2.61 -0.20 1.90 2.99 0.13 -0.40 117.98 122.44 1kkb s PHE 327 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 56.93 56.85 1kkb s PHE 327 Cb 0.02 -1.24 0.05 0.00 0.00 0.00 0.00 43.02 41.86 1kkb s PHE 327 CO -0.01 0.55 -0.06 0.00 -0.00 0.00 0.00 175.22 175.70 1kkb s LEU 329 N 1.52 4.07 0.21 0.00 2.96 0.29 -0.59 118.68 127.14 1kkb s LEU 329 Ca -0.02 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 1kkb s LEU 329 Cb -0.17 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1kkb s LEU 329 CO -0.07 -0.78 0.27 0.42 -1.32 0.00 0.00 176.35 174.87 1kkb s THR 330 N 3.25 4.97 -0.93 3.68 -4.23 -0.11 0.51 115.64 122.78 1kkb s THR 330 Ca 0.34 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1kkb s THR 330 Cb -0.13 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1kkb s THR 330 CO 0.17 -0.23 0.05 0.29 -0.54 0.00 0.00 174.62 174.36 1kkb n LYS 331 N -0.95 -2.45 0.09 3.99 5.02 -1.20 -1.07 118.16 121.59 1kkb n LYS 331 Ca -0.08 0.51 0.04 0.00 -2.02 0.00 0.00 58.31 56.75 1kkb n LYS 331 Cb 0.56 -5.10 0.44 0.00 -0.02 0.00 0.00 35.03 30.90 1kkb n LYS 331 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kkb h LEU 332 N -0.09 0.29 -0.38 -0.35 5.85 -1.82 -1.38 115.31 117.43 1kkb h LEU 332 Ca -0.27 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1kkb h LEU 332 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1kkb h LEU 332 CO 0.32 0.32 0.00 -0.90 -0.34 0.00 0.00 178.44 177.84 1kkb n ASP 333 N -4.39 0.26 0.10 1.25 5.75 -1.26 -1.49 116.55 116.77 1kkb n ASP 333 Ca 0.00 0.58 0.12 0.00 -0.01 0.00 0.00 54.79 55.48 1kkb n ASP 333 Cb 0.17 -0.63 0.45 0.00 -1.03 0.00 0.00 41.12 40.08 1kkb n ASP 333 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1kkb n VAL 334 N -1.80 0.69 0.15 2.12 0.31 -0.52 -2.83 118.33 116.44 1kkb n VAL 334 Ca 0.02 0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.44 1kkb n VAL 334 Cb 0.14 -0.88 0.05 0.00 -0.91 0.00 0.00 33.84 32.24 1kkb n VAL 334 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1kkb h LEU 335 N 0.00 0.00 -9.06 7.52 3.38 -1.43 -3.47 115.31 112.24 1kkb h LEU 335 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1kkb h LEU 335 Cb 0.50 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.34 1kkb h LEU 335 CO 0.00 0.28 -0.20 0.47 0.09 0.00 0.00 178.44 179.07 1kkb n ASP 336 N -3.06 -0.40 0.00 -0.43 10.43 -1.13 -1.81 116.55 120.16 1kkb n ASP 336 Ca 0.01 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.51 1kkb n ASP 336 Cb 0.66 -0.99 0.00 0.00 1.84 0.00 0.00 41.12 42.63 1kkb n ASP 336 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kkb n GLY 337 N 1.80 2.97 3.77 0.44 0.00 0.47 -4.95 105.19 109.69 1kkb n GLY 337 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1kkb n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkb s LEU 338 N 0.00 4.29 -0.09 0.99 1.43 -0.75 -4.71 118.68 119.85 1kkb s LEU 338 Ca 0.00 2.66 -0.06 0.00 -1.03 0.00 0.00 54.13 55.70 1kkb s LEU 338 Cb 0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1kkb s LEU 338 CO 0.00 -0.73 0.23 0.50 0.23 0.00 0.00 176.35 176.58 1kkb h LYS 339 N 2.94 -0.13 -6.51 1.70 1.63 -1.91 -1.79 116.57 112.50 1kkb h LYS 339 Ca -0.49 0.01 -0.64 0.00 -0.85 0.00 0.00 60.65 58.67 1kkb h LYS 339 Cb 1.24 0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 32.75 1kkb h LYS 339 CO 0.64 -0.00 -0.74 -1.21 -3.45 0.00 0.00 179.45 174.68 1kkb s GLU 340 N -2.07 2.03 0.17 1.90 0.41 -1.26 0.23 118.70 120.11 1kkb s GLU 340 Ca -0.04 -1.19 0.08 0.00 -0.41 0.00 0.00 54.97 53.41 1kkb s GLU 340 Cb 0.00 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 1kkb s GLU 340 CO 0.12 0.46 -0.16 0.54 -0.49 0.00 0.00 175.26 175.73 1kkb s VAL 341 N -1.50 1.67 -0.07 2.63 0.11 0.81 -4.57 120.40 119.49 1kkb s VAL 341 Ca 0.23 -1.98 -0.03 0.00 -2.93 0.00 0.00 61.98 57.26 1kkb s VAL 341 Cb -0.10 -1.85 0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1kkb s VAL 341 CO 0.14 -0.45 0.15 -0.54 -3.33 0.00 0.00 175.10 171.07 1kkb s LYS 342 N -3.10 0.11 0.04 1.54 1.02 -1.26 0.71 119.74 118.81 1kkb s LYS 342 Ca 0.17 0.35 0.07 0.00 0.02 0.00 0.00 55.97 56.58 1kkb s LYS 342 Cb -0.04 -0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.12 1kkb s LYS 342 CO 0.06 -0.14 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.65 1kkb s LEU 343 N 0.96 2.54 -0.32 3.17 1.43 -1.13 -3.41 118.68 121.93 1kkb s LEU 343 Ca -0.07 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 1kkb s LEU 343 Cb -0.09 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1kkb s LEU 343 CO -0.05 0.25 0.73 0.00 0.23 0.00 0.00 176.35 177.51 1kkb n VAL 345 N 5.56 0.27 -3.70 0.00 0.24 -0.08 -1.03 118.33 119.59 1kkb n VAL 345 Ca 0.02 -0.34 -0.02 0.00 -2.04 0.00 0.00 64.34 61.95 1kkb n VAL 345 Cb 0.48 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.87 1kkb n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkb s ALA 346 N -3.27 -1.85 0.05 2.33 0.00 -1.20 -4.85 121.76 112.98 1kkb s ALA 346 Ca 0.02 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1kkb s ALA 346 Cb 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1kkb s ALA 346 CO 0.80 -1.01 -0.19 0.71 0.00 0.00 0.00 175.76 176.06 1kkb s TYR 347 N -3.00 2.52 -0.36 0.00 2.02 0.16 -0.24 117.35 118.45 1kkb s TYR 347 Ca 0.12 -0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 1kkb s TYR 347 Cb 0.01 -1.43 -0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1kkb s TYR 347 CO -0.00 0.25 0.25 0.50 -1.57 0.00 0.00 175.55 174.98 1kkb s ARG 348 N -1.51 3.29 0.60 -0.62 6.06 0.27 -1.58 118.95 125.46 1kkb s ARG 348 Ca 0.15 -0.78 -0.18 0.00 -2.50 0.00 0.00 55.73 52.41 1kkb s ARG 348 Cb -0.10 -3.82 -0.03 0.00 0.06 0.00 0.00 34.95 31.05 1kkb s ARG 348 CO 0.05 -0.54 1.14 -1.64 -2.50 0.00 0.00 175.30 171.81 1kkb s MET 349 N 1.69 3.05 0.60 5.12 -1.94 0.42 -1.99 119.30 126.25 1kkb s MET 349 Ca 0.05 1.59 0.32 0.00 -1.71 0.00 0.00 55.69 55.94 1kkb s MET 349 Cb -0.18 -1.97 1.89 0.00 2.01 0.00 0.00 34.83 36.58 1kkb s MET 349 CO 0.10 -1.09 2.26 -1.35 -0.01 0.00 0.00 175.02 174.93 1kkb h PRO 350 N 0.69 0.00 -0.17 2.03 0.11 -1.86 -0.47 132.00 132.33 1kkb h PRO 350 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1kkb h PRO 350 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kkb h PRO 350 CO 0.55 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1kkb n ASP 351 N -3.71 1.67 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.96 1kkb n ASP 351 Ca -0.03 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1kkb n ASP 351 Cb 0.09 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1kkb n ASP 351 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kkb n GLY 352 N 1.13 0.51 3.84 6.12 0.00 -0.18 -5.07 105.19 111.53 1kkb n GLY 352 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1kkb n GLY 352 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkb s ARG 353 N -0.84 3.59 -0.18 1.61 0.52 -1.24 -4.74 118.95 117.66 1kkb s ARG 353 Ca 0.00 0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 56.12 1kkb s ARG 353 Cb 0.00 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 1kkb s ARG 353 CO 0.00 -0.57 -0.09 -2.00 0.02 0.00 0.00 175.30 172.65 1kkb s GLU 354 N -4.57 3.34 0.16 3.54 2.12 -1.26 0.16 118.70 122.19 1kkb s GLU 354 Ca 0.58 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 55.29 1kkb s GLU 354 Cb -0.12 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 1kkb s GLU 354 CO 0.43 -0.04 -0.10 0.54 -0.54 0.00 0.00 175.26 175.55 1kkb s VAL 355 N 1.02 1.25 -0.13 3.70 0.11 -0.61 -4.98 120.40 120.76 1kkb s VAL 355 Ca -0.01 -2.08 0.15 0.00 -2.93 0.00 0.00 61.98 57.11 1kkb s VAL 355 Cb -0.15 -1.91 0.30 0.00 -1.53 0.00 0.00 36.38 33.09 1kkb s VAL 355 CO -0.01 -0.70 1.15 0.35 -3.33 0.00 0.00 175.10 172.56 1kkb n THR 356 N -0.24 1.59 -4.67 5.04 -2.24 -1.26 -0.67 114.28 111.83 1kkb n THR 356 Ca -0.10 -2.15 -0.24 0.00 -2.27 0.00 0.00 64.05 59.29 1kkb n THR 356 Cb 0.61 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 1kkb n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kkb s THR 357 N -2.39 1.49 0.32 4.28 2.01 -1.26 -4.86 115.64 115.23 1kkb s THR 357 Ca 0.30 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1kkb s THR 357 Cb 0.28 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1kkb s THR 357 CO -0.02 0.24 0.67 0.42 -0.69 0.00 0.00 174.62 175.24 1kkb s THR 358 N -0.68 4.85 0.47 -0.82 -4.23 -1.26 -4.90 115.64 109.08 1kkb s THR 358 Ca 0.06 0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 61.02 1kkb s THR 358 Cb -0.08 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.19 1kkb s THR 358 CO 0.01 -0.31 0.48 -2.65 -0.54 0.00 0.00 174.62 171.61 1kkb n PRO 359 N -0.78 -1.48 0.00 3.99 -0.02 -1.26 -5.09 135.00 130.37 1kkb n PRO 359 Ca 0.01 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1kkb n PRO 359 Cb 0.53 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 1kkb n PRO 359 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1kkb n LEU 360 N 0.00 0.00 -4.64 2.45 4.32 -1.26 -5.02 117.00 112.85 1kkb n LEU 360 Ca 0.06 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.71 1kkb n LEU 360 Cb 0.24 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.14 1kkb n LEU 360 CO 0.17 0.00 0.61 0.00 -1.22 0.00 0.00 177.39 176.94 1kkb n ALA 361 N -3.00 -0.24 -0.29 -1.18 0.00 -1.26 -4.22 120.51 110.32 1kkb n ALA 361 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.26 1kkb n ALA 361 Cb 0.00 -2.16 0.25 0.00 0.00 0.00 0.00 19.45 17.54 1kkb n ALA 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkb h ALA 362 N -0.57 1.27 -0.52 0.00 0.00 -0.07 -1.16 119.26 118.20 1kkb h ALA 362 Ca -0.47 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1kkb h ALA 362 Cb 1.32 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1kkb h ALA 362 CO 0.46 -0.24 0.21 -0.44 0.00 0.00 0.00 179.25 179.24 1kkb h ASP 363 N 0.46 0.24 0.00 0.00 3.32 -1.90 -1.78 116.42 116.76 1kkb h ASP 363 Ca 0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1kkb h ASP 363 Cb 0.82 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1kkb h ASP 363 CO -0.45 0.16 0.17 0.47 -1.72 0.00 0.00 179.24 177.87 1kkb n ASP 364 N -4.97 0.36 -0.13 6.45 10.43 -0.44 -1.65 116.55 126.60 1kkb n ASP 364 Ca 0.06 0.60 0.13 0.00 2.57 0.00 0.00 54.79 58.15 1kkb n ASP 364 Cb 0.20 -0.60 0.43 0.00 1.84 0.00 0.00 41.12 42.99 1kkb n ASP 364 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1kkb n TRP 365 N -2.02 0.00 0.00 1.24 7.02 -0.67 -4.83 117.44 118.18 1kkb n TRP 365 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1kkb n TRP 365 Cb 0.19 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1kkb n TRP 365 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1kkb n LYS 366 N -1.02 0.00 -0.63 -0.99 4.76 -0.66 -2.09 118.16 117.53 1kkb n LYS 366 Ca 0.11 0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1kkb n LYS 366 Cb 0.32 -0.07 0.25 0.00 -1.84 0.00 0.00 35.03 33.69 1kkb n LYS 366 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kkb n GLY 367 N -0.20 2.66 3.66 0.72 0.00 -1.26 -4.93 105.19 105.85 1kkb n GLY 367 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1kkb n GLY 367 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkb s VAL 368 N -2.17 3.96 0.19 1.61 1.01 -0.89 -4.14 120.40 119.96 1kkb s VAL 368 Ca 0.36 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.59 1kkb s VAL 368 Cb 0.28 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1kkb s VAL 368 CO 0.10 -0.10 -0.02 -1.61 0.00 0.00 0.00 175.10 173.47 1kkb s GLU 369 N 3.63 2.31 0.01 2.72 0.41 -0.84 -4.84 118.70 122.10 1kkb s GLU 369 Ca 0.63 -1.18 -0.10 0.00 -0.41 0.00 0.00 54.97 53.91 1kkb s GLU 369 Cb -0.27 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 29.73 1kkb s GLU 369 CO 0.22 0.44 0.34 -1.25 -0.49 0.00 0.00 175.26 174.51 1kkb s PRO 370 N -2.99 3.73 -0.16 0.39 0.04 -1.26 0.95 135.00 135.69 1kkb s PRO 370 Ca 0.27 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.43 1kkb s PRO 370 Cb -0.09 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1kkb s PRO 370 CO 0.18 0.65 -0.02 0.42 0.04 0.00 0.00 177.00 178.27 1kkb s ILE 371 N -1.22 4.00 0.41 0.56 1.01 0.67 -4.85 121.20 121.78 1kkb s ILE 371 Ca 0.26 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1kkb s ILE 371 Cb -0.14 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1kkb s ILE 371 CO 0.14 0.48 0.12 -0.31 0.00 0.00 0.00 174.94 175.37 1kkb s TYR 372 N 0.42 2.58 -0.15 3.97 2.02 -1.26 -0.90 117.35 124.03 1kkb s TYR 372 Ca -0.03 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1kkb s TYR 372 Cb -0.14 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1kkb s TYR 372 CO 0.03 0.29 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.97 1kkb s GLU 373 N -3.83 1.98 0.07 -0.62 2.02 -1.11 -4.88 118.70 112.33 1kkb s GLU 373 Ca 0.39 -0.55 -0.15 0.00 0.02 0.00 0.00 54.97 54.67 1kkb s GLU 373 Cb 0.05 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 1kkb s GLU 373 CO 0.21 -0.31 0.49 0.99 0.02 0.00 0.00 175.26 176.66 1kkb s THR 374 N 1.53 4.91 0.11 3.63 2.01 -1.26 -2.82 115.64 123.75 1kkb s THR 374 Ca 0.03 0.91 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1kkb s THR 374 Cb -0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1kkb s THR 374 CO -0.09 0.45 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.16 1kkb s MET 375 N -1.41 0.91 0.26 4.92 -1.94 0.22 -4.90 119.30 117.36 1kkb s MET 375 Ca 0.30 -1.28 -0.29 0.00 -1.71 0.00 0.00 55.69 52.70 1kkb s MET 375 Cb -0.17 -0.50 -0.09 0.00 2.01 0.00 0.00 34.83 36.08 1kkb s MET 375 CO 0.17 0.06 1.15 -2.14 -0.01 0.00 0.00 175.02 174.25 1kkb s PRO 376 N -3.28 4.57 0.00 2.03 0.02 -1.26 0.28 135.00 137.37 1kkb s PRO 376 Ca 0.10 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1kkb s PRO 376 Cb 0.00 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1kkb s PRO 376 CO -0.01 0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1kkb n GLY 377 N 1.40 0.71 3.64 0.52 0.00 0.64 -4.62 105.19 107.49 1kkb n GLY 377 Ca 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 1kkb n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kkb s TRP 378 N 0.00 -0.82 -0.04 1.61 -2.14 -0.68 -4.75 118.94 112.12 1kkb s TRP 378 Ca 0.00 1.68 0.12 0.00 2.66 0.00 0.00 56.10 60.56 1kkb s TRP 378 Cb 0.00 0.48 -0.09 0.00 -3.10 0.00 0.00 33.47 30.75 1kkb s TRP 378 CO 0.00 -0.40 1.21 1.03 -2.66 0.00 0.00 176.95 176.13 1kkb h SER 379 N 6.26 0.00 -3.46 -2.66 0.87 -1.84 1.37 113.55 114.10 1kkb h SER 379 Ca -0.29 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.73 1kkb h SER 379 Cb 1.21 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 63.37 1kkb h SER 379 CO 0.16 0.74 -0.37 -0.62 -0.53 0.00 0.00 176.83 176.21 1kkb n GLU 380 N -3.20 0.00 -3.31 2.24 4.71 -1.26 -3.93 120.64 115.89 1kkb n GLU 380 Ca -0.02 0.05 -0.37 0.00 -0.01 0.00 0.00 57.16 56.81 1kkb n GLU 380 Cb 0.86 -1.94 -0.06 0.00 -1.01 0.00 0.00 31.44 29.29 1kkb n GLU 380 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1kkb s SER 381 N -1.83 6.96 -0.00 1.62 0.15 -1.26 -4.43 113.70 114.91 1kkb s SER 381 Ca 0.63 1.18 0.02 0.00 0.70 0.00 0.00 55.95 58.48 1kkb s SER 381 Cb -0.27 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1kkb s SER 381 CO 0.61 0.20 0.08 0.41 1.20 0.00 0.00 173.24 175.74 1kkb n THR 382 N 1.32 0.00 -1.73 6.45 -1.04 -1.26 -4.94 114.28 113.08 1kkb n THR 382 Ca -0.08 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 1kkb n THR 382 Cb 0.51 0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 69.74 1kkb n THR 382 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1kkb s PHE 383 N -1.64 2.32 0.00 -1.42 2.19 -1.26 -2.23 117.98 115.94 1kkb s PHE 383 Ca 0.00 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.33 1kkb s PHE 383 Cb 0.02 -4.16 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1kkb s PHE 383 CO 0.10 -4.71 0.00 0.41 1.83 0.00 0.00 175.22 172.85 1kkb n GLY 384 N 4.17 2.65 3.64 13.12 0.00 0.12 -4.99 105.19 123.89 1kkb n GLY 384 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1kkb n GLY 384 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kkb n VAL 385 N -2.00 0.60 -0.32 1.61 0.31 -0.95 -4.72 118.33 112.87 1kkb n VAL 385 Ca 0.00 -0.20 0.12 0.00 -0.01 0.00 0.00 64.34 64.25 1kkb n VAL 385 Cb 0.00 -2.19 0.31 0.00 -0.91 0.00 0.00 33.84 31.05 1kkb n VAL 385 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkb n LYS 386 N 7.54 2.72 -3.68 5.55 5.02 -1.26 -4.36 118.16 129.69 1kkb n LYS 386 Ca 0.24 -2.62 -0.14 0.00 -2.02 0.00 0.00 58.31 53.77 1kkb n LYS 386 Cb 0.37 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1kkb n LYS 386 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1kkb s ASP 387 N -1.03 -0.31 0.22 4.39 1.47 -1.26 -4.56 116.67 115.59 1kkb s ASP 387 Ca 0.48 0.14 -0.10 0.00 1.18 0.00 0.00 52.55 54.25 1kkb s ASP 387 Cb 0.25 0.40 0.18 0.00 -0.34 0.00 0.00 42.92 43.41 1kkb s ASP 387 CO 0.33 -0.58 1.89 0.03 0.68 0.00 0.00 175.17 177.51 1kkb h ARG 388 N 3.31 1.03 -0.50 2.11 3.08 -1.94 -2.16 114.38 119.31 1kkb h ARG 388 Ca -0.30 -0.06 0.15 0.00 0.07 0.00 0.00 59.98 59.83 1kkb h ARG 388 Cb 1.18 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1kkb h ARG 388 CO 0.42 0.68 0.52 0.77 -1.07 0.00 0.00 179.97 181.29 1kkb h SER 389 N 1.06 0.00 0.59 7.04 0.02 -2.02 1.28 113.55 121.52 1kkb h SER 389 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1kkb h SER 389 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1kkb h SER 389 CO -0.07 0.00 -0.60 0.61 -1.14 0.00 0.00 176.83 175.63 1kkb n GLY 390 N -1.52 -1.29 3.70 -3.77 0.00 -0.82 -4.86 105.19 96.63 1kkb n GLY 390 Ca 0.09 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1kkb n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkb s LEU 391 N -3.43 4.32 0.59 0.99 2.01 0.44 -4.95 118.68 118.65 1kkb s LEU 391 Ca 0.09 1.61 -0.18 0.00 0.01 0.00 0.00 54.13 55.66 1kkb s LEU 391 Cb 0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 1kkb s LEU 391 CO 0.72 -0.33 1.15 -2.16 1.01 0.00 0.00 176.35 176.74 1kkb s PRO 392 N 1.38 3.08 0.31 1.29 0.04 -1.26 -4.76 135.00 135.07 1kkb s PRO 392 Ca 0.51 1.63 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1kkb s PRO 392 Cb -0.20 -1.97 0.88 0.00 0.04 0.00 0.00 34.50 33.25 1kkb s PRO 392 CO 0.24 -1.07 1.64 0.37 0.04 0.00 0.00 177.00 178.22 1kkb h GLN 393 N 0.81 0.21 0.42 4.56 5.75 -1.96 -0.72 115.11 124.19 1kkb h GLN 393 Ca -0.49 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 1kkb h GLN 393 Cb 1.27 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 1kkb h GLN 393 CO 0.55 0.14 -0.34 0.00 -2.65 0.00 0.00 178.83 176.54 1kkb h ALA 394 N 1.83 -0.78 -0.37 3.38 0.00 -1.90 0.44 119.26 121.87 1kkb h ALA 394 Ca 0.63 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1kkb h ALA 394 Cb 1.37 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 19.54 1kkb h ALA 394 CO -0.67 -0.96 -0.33 0.00 0.00 0.00 0.00 179.25 177.29 1kkb h ALA 395 N -0.31 -0.21 -0.88 0.00 0.00 -1.49 0.46 119.26 116.84 1kkb h ALA 395 Ca -0.04 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1kkb h ALA 395 Cb 0.66 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1kkb h ALA 395 CO -0.01 -0.73 0.50 -0.07 0.00 0.00 0.00 179.25 178.93 1kkb h LEU 396 N -0.27 0.69 -0.29 0.00 3.38 -0.81 -1.41 115.31 116.60 1kkb h LEU 396 Ca 0.16 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1kkb h LEU 396 Cb 0.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1kkb h LEU 396 CO -0.52 0.35 -0.23 0.78 0.09 0.00 0.00 178.44 178.91 1kkb h ASN 397 N 0.78 0.71 -0.71 -0.43 -0.26 0.27 -1.94 115.58 114.00 1kkb h ASN 397 Ca 0.45 -0.45 0.12 0.00 -0.56 0.00 0.00 56.30 55.86 1kkb h ASN 397 Cb 0.51 -0.20 -0.09 0.00 -1.06 0.00 0.00 38.32 37.49 1kkb h ASN 397 CO -0.29 1.01 0.27 0.22 -1.06 0.00 0.00 177.43 177.58 1kkb h TYR 398 N 0.42 0.47 0.32 1.19 3.20 0.63 -0.44 116.97 122.76 1kkb h TYR 398 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1kkb h TYR 398 Cb 0.79 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1kkb h TYR 398 CO 0.07 0.08 -0.15 0.82 -1.64 0.00 0.00 178.16 177.33 1kkb h ILE 399 N 0.44 0.69 -0.20 1.81 2.04 -1.20 -2.46 117.51 118.62 1kkb h ILE 399 Ca 0.38 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.23 1kkb h ILE 399 Cb 0.53 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1kkb h ILE 399 CO -0.37 0.00 0.12 0.50 0.00 0.00 0.00 178.15 178.40 1kkb h LYS 400 N -0.43 0.24 -0.16 2.37 3.64 -0.58 -2.02 116.57 119.62 1kkb h LYS 400 Ca -0.04 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1kkb h LYS 400 Cb 0.33 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1kkb h LYS 400 CO 0.07 0.16 0.11 -0.09 -2.27 0.00 0.00 179.45 177.43 1kkb h ARG 401 N 0.24 0.09 -0.26 1.90 9.65 -1.12 0.93 114.38 125.81 1kkb h ARG 401 Ca 0.08 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1kkb h ARG 401 Cb -0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1kkb h ARG 401 CO -0.04 0.06 0.05 0.82 2.80 0.00 0.00 179.97 183.67 1kkb h ILE 402 N 0.10 1.22 0.29 1.20 2.04 -0.89 0.56 117.51 122.03 1kkb h ILE 402 Ca 0.07 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1kkb h ILE 402 Cb 0.15 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1kkb h ILE 402 CO -0.01 0.24 -0.14 -0.33 0.00 0.00 0.00 178.15 177.91 1kkb h GLU 403 N 0.25 -0.37 -0.36 2.37 5.08 -0.54 -0.32 114.58 120.68 1kkb h GLU 403 Ca 0.08 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1kkb h GLU 403 Cb 0.31 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1kkb h GLU 403 CO 0.00 -0.25 -0.12 0.93 -1.00 0.00 0.00 179.01 178.58 1kkb h GLU 404 N -0.39 -0.04 -0.73 2.33 5.08 -0.72 2.37 114.58 122.49 1kkb h GLU 404 Ca -0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kkb h GLU 404 Cb 0.30 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1kkb h GLU 404 CO 0.06 -0.02 0.48 -0.07 -1.00 0.00 0.00 179.01 178.46 1kkb h LEU 405 N -0.04 0.83 0.00 1.33 3.38 0.47 -3.23 115.31 118.05 1kkb h LEU 405 Ca 0.18 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1kkb h LEU 405 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1kkb h LEU 405 CO -0.39 0.60 -1.54 0.35 0.09 0.00 0.00 178.44 177.55 1kkb n THR 406 N -4.58 0.84 -1.02 0.22 -2.24 -0.16 -4.98 114.28 102.36 1kkb n THR 406 Ca 0.07 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1kkb n THR 406 Cb 0.02 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1kkb n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkb n GLY 407 N 1.36 0.48 3.17 3.38 0.00 0.79 -5.02 105.19 109.34 1kkb n GLY 407 Ca -0.09 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1kkb n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkb s VAL 408 N -1.98 1.62 0.23 1.61 1.01 -1.17 -5.01 120.40 116.71 1kkb s VAL 408 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1kkb s VAL 408 Cb 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 1kkb s VAL 408 CO 0.00 0.46 1.04 -2.16 0.00 0.00 0.00 175.10 174.44 1kkb s PRO 409 N -0.01 4.71 -1.10 2.72 0.04 -1.26 -4.25 135.00 135.84 1kkb s PRO 409 Ca -0.04 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1kkb s PRO 409 Cb -0.12 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1kkb s PRO 409 CO 0.03 0.28 1.69 0.42 0.04 0.00 0.00 177.00 179.46 1kkb s ILE 410 N -0.88 3.84 0.25 0.56 -1.09 -1.26 0.18 121.20 122.80 1kkb s ILE 410 Ca 0.45 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1kkb s ILE 410 Cb -0.29 -4.85 0.09 0.00 -1.58 0.00 0.00 42.46 35.84 1kkb s ILE 410 CO 0.36 -1.66 1.72 0.44 -1.23 0.00 0.00 174.94 174.57 1kkb h ASP 411 N 9.41 0.76 -4.27 3.58 3.45 0.15 -3.45 116.42 126.05 1kkb h ASP 411 Ca 0.26 -0.21 -0.48 0.00 0.43 0.00 0.00 57.03 57.03 1kkb h ASP 411 Cb 0.96 -0.20 -0.27 0.00 -0.56 0.00 0.00 39.33 39.26 1kkb h ASP 411 CO 1.37 0.87 -0.81 -0.63 -1.57 0.00 0.00 179.24 178.48 1kkb s ILE 412 N -4.86 1.17 -0.12 0.35 1.01 -0.75 0.49 121.20 118.50 1kkb s ILE 412 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1kkb s ILE 412 Cb 0.14 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1kkb s ILE 412 CO 0.82 0.15 -0.16 -0.63 0.00 0.00 0.00 174.94 175.12 1kkb s ILE 413 N -0.64 1.57 -0.28 2.92 1.01 0.11 0.10 121.20 126.00 1kkb s ILE 413 Ca 0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1kkb s ILE 413 Cb -0.07 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1kkb s ILE 413 CO 0.01 0.46 0.19 -0.55 0.00 0.00 0.00 174.94 175.04 1kkb s SER 414 N 1.07 5.98 -0.20 3.58 0.15 0.18 0.69 113.70 125.15 1kkb s SER 414 Ca -0.04 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.72 1kkb s SER 414 Cb -0.15 -2.11 0.55 0.00 -1.71 0.00 0.00 66.02 62.60 1kkb s SER 414 CO -0.03 -0.06 1.46 0.35 1.20 0.00 0.00 173.24 176.16 1kkb n THR 415 N 5.06 2.38 0.00 6.45 -2.24 -0.62 -3.20 114.28 122.10 1kkb n THR 415 Ca -0.14 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1kkb n THR 415 Cb 0.52 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1kkb n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkb n GLY 416 N -0.55 1.77 0.22 3.38 0.00 -1.13 0.11 105.19 108.99 1kkb n GLY 416 Ca 0.24 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1kkb n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkb h PRO 417 N 0.00 0.00 -6.91 1.61 0.13 -1.95 -3.44 132.00 121.44 1kkb h PRO 417 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1kkb h PRO 417 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1kkb h PRO 417 CO 0.00 0.27 0.47 0.34 -0.23 0.00 0.00 178.00 178.84 1kkb s ASP 418 N -6.41 6.81 0.29 1.44 2.15 -1.26 -4.15 116.67 115.54 1kkb s ASP 418 Ca -0.01 2.23 0.01 0.00 0.43 0.00 0.00 52.55 55.20 1kkb s ASP 418 Cb 0.12 -2.61 0.71 0.00 -0.30 0.00 0.00 42.92 40.84 1kkb s ASP 418 CO 0.65 -0.47 1.60 -0.09 -0.17 0.00 0.00 175.17 176.70 1kkb h ARG 419 N 2.92 0.07 0.00 4.34 2.43 -1.48 -1.71 114.38 120.95 1kkb h ARG 419 Ca -0.48 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.61 1kkb h ARG 419 Cb 1.22 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1kkb h ARG 419 CO 0.64 0.05 -0.36 1.79 -1.51 0.00 0.00 179.97 180.58 1kkb h THR 420 N 0.07 0.73 0.00 0.20 1.35 -1.92 -3.39 112.91 109.96 1kkb h THR 420 Ca 0.56 -1.61 -0.70 0.00 -0.55 0.00 0.00 66.41 64.11 1kkb h THR 420 Cb 1.15 2.05 -0.03 0.00 -1.73 0.00 0.00 68.15 69.58 1kkb h THR 420 CO -0.81 0.35 3.15 -0.62 -0.25 0.00 0.00 175.52 177.34 1kkb n GLU 421 N -3.36 2.84 -3.98 4.72 1.02 -0.64 -4.85 120.64 116.38 1kkb n GLU 421 Ca 0.01 -2.52 -0.10 0.00 -0.02 0.00 0.00 57.16 54.53 1kkb n GLU 421 Cb 0.56 -3.22 -0.04 0.00 -0.02 0.00 0.00 31.44 28.71 1kkb n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1kkb s THR 422 N 3.22 0.00 -0.03 2.62 2.01 -1.26 -1.58 115.64 120.61 1kkb s THR 422 Ca 0.49 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1kkb s THR 422 Cb 0.14 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1kkb s THR 422 CO -0.08 0.00 0.03 -0.04 -0.69 0.00 0.00 174.62 173.85 1kkb s MET 423 N -3.76 0.03 -0.40 4.92 -1.94 0.22 -4.48 119.30 113.89 1kkb s MET 423 Ca 0.22 0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 54.39 1kkb s MET 423 Cb -0.01 -0.41 0.09 0.00 2.01 0.00 0.00 34.83 36.51 1kkb s MET 423 CO 0.10 -0.23 0.19 0.42 -0.01 0.00 0.00 175.02 175.49 1kkb s ILE 424 N 1.50 3.48 -0.16 2.53 1.01 -1.26 0.08 121.20 128.38 1kkb s ILE 424 Ca -0.04 -1.79 0.16 0.00 0.00 0.00 0.00 60.65 58.99 1kkb s ILE 424 Cb -0.13 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1kkb s ILE 424 CO -0.03 -0.56 1.21 -0.07 0.00 0.00 0.00 174.94 175.50 1kkb h LEU 425 N 8.14 0.00 -7.22 2.97 -0.00 -0.28 -3.45 115.31 115.47 1kkb h LEU 425 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.61 1kkb h LEU 425 Cb 1.06 0.00 -0.26 0.00 -0.00 0.00 0.00 40.66 41.46 1kkb h LEU 425 CO 0.69 0.47 -0.26 -0.60 -0.00 0.00 0.00 178.44 178.75 1kkb s ARG 426 N -2.99 0.44 -0.14 1.13 3.52 -1.04 -5.06 118.95 114.82 1kkb s ARG 426 Ca 0.01 0.79 -0.16 0.00 -0.13 0.00 0.00 55.73 56.25 1kkb s ARG 426 Cb 0.08 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1kkb s ARG 426 CO 0.77 -0.14 0.37 0.34 -0.81 0.00 0.00 175.30 175.83 1kkb s ASP 427 N 1.19 6.56 0.31 -2.12 3.68 -1.26 -4.64 116.67 120.38 1kkb s ASP 427 Ca -0.08 0.66 0.02 0.00 2.13 0.00 0.00 52.55 55.27 1kkb s ASP 427 Cb -0.07 -2.23 0.50 0.00 -1.45 0.00 0.00 42.92 39.67 1kkb s ASP 427 CO -0.11 0.07 1.85 -0.65 0.13 0.00 0.00 175.17 176.46 1kkb h PRO 428 N 6.61 0.67 0.00 4.34 0.11 -1.94 1.12 132.00 142.92 1kkb h PRO 428 Ca -0.42 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 1kkb h PRO 428 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1kkb h PRO 428 CO 0.75 0.65 -0.26 0.74 -0.21 0.00 0.00 178.00 179.67 1kkb h PHE 429 N 0.65 0.00 0.00 0.65 0.05 -1.95 0.21 116.94 116.54 1kkb h PHE 429 Ca 0.14 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.93 1kkb h PHE 429 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.26 1kkb h PHE 429 CO 0.01 0.26 -0.31 -0.44 -0.18 0.00 0.00 178.31 177.65 1kkb h ASP 430 N 0.00 0.00 0.00 2.17 3.45 -1.68 -3.11 116.42 117.25 1kkb h ASP 430 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1kkb h ASP 430 Cb 0.92 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 1kkb h ASP 430 CO 0.03 0.52 0.00 0.00 -1.57 0.00 0.00 179.24 178.23