#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mu1 s VAL 17 N 0.00 5.05 -0.92 2.52 1.01 0.43 -4.17 120.40 124.32 3mu1 s VAL 17 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3mu1 s VAL 17 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3mu1 s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3mu1 n GLY 18 N 2.24 0.11 3.27 4.51 0.00 -1.25 -1.88 105.19 112.19 3mu1 n GLY 18 Ca -0.12 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 3mu1 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mu1 n GLY 19 N -1.11 1.06 3.16 -0.02 0.00 -1.26 -4.81 105.19 102.22 3mu1 n GLY 19 Ca -0.12 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.67 3mu1 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mu1 s THR 20 N -2.40 0.94 -0.00 2.61 -4.23 0.33 -4.90 115.64 107.98 3mu1 s THR 20 Ca 0.54 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 59.26 3mu1 s THR 20 Cb -0.03 -1.20 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 3mu1 s THR 20 CO 0.36 -0.46 1.49 -0.70 -0.54 0.00 0.00 174.62 174.77 3mu1 s GLU 21 N -2.39 4.24 0.56 3.99 2.12 -1.26 -0.30 118.70 125.65 3mu1 s GLU 21 Ca 0.02 2.07 -0.20 0.00 0.36 0.00 0.00 54.97 57.22 3mu1 s GLU 21 Cb -0.05 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3mu1 s GLU 21 CO 0.01 -0.66 1.21 0.00 -0.54 0.00 0.00 175.26 175.27 3mu1 s ALA 22 N 2.77 2.67 0.57 6.30 0.00 -0.40 -4.87 121.76 128.80 3mu1 s ALA 22 Ca 0.67 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 3mu1 s ALA 22 Cb -0.33 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3mu1 s ALA 22 CO 0.28 -1.04 1.17 -0.65 0.00 0.00 0.00 175.76 175.51 3mu1 s GLN 23 N -3.17 3.14 0.18 0.00 -1.52 -1.26 -4.89 119.66 112.13 3mu1 s GLN 23 Ca 0.74 1.70 0.22 0.00 -1.95 0.00 0.00 55.36 56.07 3mu1 s GLN 23 Cb -0.30 -1.97 0.89 0.00 -0.22 0.00 0.00 33.01 31.42 3mu1 s GLN 23 CO 0.34 -1.04 1.69 2.89 -0.25 0.00 0.00 175.29 178.91 3mu1 n ARG 24 N -1.50 0.15 -0.33 2.91 1.85 -1.26 -2.10 116.66 116.38 3mu1 n ARG 24 Ca 0.12 0.32 0.07 0.00 -1.00 0.00 0.00 57.85 57.37 3mu1 n ARG 24 Cb 0.50 -1.75 0.21 0.00 -1.05 0.00 0.00 32.46 30.37 3mu1 n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mu1 n ASN 25 N -2.03 3.48 -0.10 2.89 0.23 -1.26 -4.71 115.26 113.75 3mu1 n ASN 25 Ca 0.03 -2.60 -0.13 0.00 -0.53 0.00 0.00 54.58 51.36 3mu1 n ASN 25 Cb 0.26 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 37.53 3mu1 n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3mu1 h SER 26 N 1.87 0.96 -2.10 0.53 0.02 -1.76 -3.40 113.55 109.68 3mu1 h SER 26 Ca 0.00 -0.46 -0.57 0.00 -0.84 0.00 0.00 61.79 59.92 3mu1 h SER 26 Cb 1.15 -0.27 -0.41 0.00 0.14 0.00 0.00 62.40 63.01 3mu1 h SER 26 CO 0.13 1.25 -0.87 0.79 -1.14 0.00 0.00 176.83 176.99 3mu1 n TRP 27 N -4.04 1.69 0.89 3.45 7.02 -1.26 -4.97 117.44 120.22 3mu1 n TRP 27 Ca -0.03 -3.86 0.10 0.00 -1.02 0.00 0.00 57.50 52.69 3mu1 n TRP 27 Cb 0.56 -0.45 0.49 0.00 -2.42 0.00 0.00 31.31 29.49 3mu1 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mu1 n PRO 28 N 0.89 0.22 0.00 -0.99 -0.04 -1.26 -2.15 135.00 131.67 3mu1 n PRO 28 Ca 0.26 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 3mu1 n PRO 28 Cb 0.48 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 3mu1 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mu1 n SER 29 N -1.34 1.43 -4.73 3.54 3.41 -1.21 -1.78 113.62 112.94 3mu1 n SER 29 Ca 0.08 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 3mu1 n SER 29 Cb 0.18 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3mu1 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mu1 s GLN 30 N -2.40 4.42 0.31 4.33 2.00 -0.91 -0.84 119.66 126.57 3mu1 s GLN 30 Ca 0.25 1.94 0.09 0.00 -2.00 0.00 0.00 55.36 55.64 3mu1 s GLN 30 Cb 0.19 -3.25 -0.06 0.00 0.80 0.00 0.00 33.01 30.69 3mu1 s GLN 30 CO 0.49 -0.23 -0.10 0.96 -0.50 0.00 0.00 175.29 175.91 3mu1 s ILE 31 N 0.43 2.05 -0.22 -2.34 -5.25 -0.61 -4.45 121.20 110.80 3mu1 s ILE 31 Ca 0.57 -2.21 -0.04 0.00 -0.99 0.00 0.00 60.65 57.98 3mu1 s ILE 31 Cb -0.34 -2.51 -0.01 0.00 2.95 0.00 0.00 42.46 42.55 3mu1 s ILE 31 CO 0.34 -0.28 -0.03 -0.55 -1.79 0.00 0.00 174.94 172.63 3mu1 s SER 32 N -3.53 4.42 -0.24 4.36 0.15 -0.67 -2.82 113.70 115.38 3mu1 s SER 32 Ca 0.31 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 3mu1 s SER 32 Cb 0.02 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 3mu1 s SER 32 CO 0.14 -0.01 0.42 -0.22 1.20 0.00 0.00 173.24 174.77 3mu1 s LEU 33 N 1.43 4.09 0.16 3.45 2.96 0.19 -0.70 118.68 130.26 3mu1 s LEU 33 Ca 0.05 0.44 0.10 0.00 -0.22 0.00 0.00 54.13 54.50 3mu1 s LEU 33 Cb -0.14 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3mu1 s LEU 33 CO -0.02 -0.17 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.51 3mu1 s GLN 34 N 1.82 1.39 0.22 1.98 -0.21 -0.16 -0.86 119.66 123.83 3mu1 s GLN 34 Ca 0.18 -1.41 0.11 0.00 0.02 0.00 0.00 55.36 54.26 3mu1 s GLN 34 Cb -0.15 -1.71 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 3mu1 s GLN 34 CO 0.09 0.38 -0.21 1.52 -2.12 0.00 0.00 175.29 174.95 3mu1 s TYR 35 N -1.50 2.15 -0.07 0.91 1.13 -0.01 -0.91 117.35 119.05 3mu1 s TYR 35 Ca 0.16 -0.39 -0.26 0.00 -1.41 0.00 0.00 57.07 55.17 3mu1 s TYR 35 Cb -0.08 -1.01 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 3mu1 s TYR 35 CO 0.08 0.53 0.84 0.50 -2.51 0.00 0.00 175.55 174.98 3mu1 s ARG 36 N -3.06 4.44 -0.37 -3.49 3.52 -0.75 -0.89 118.95 118.36 3mu1 s ARG 36 Ca 0.23 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 3mu1 s ARG 36 Cb -0.06 -3.49 0.12 0.00 -1.56 0.00 0.00 34.95 29.97 3mu1 s ARG 36 CO 0.11 -0.08 0.17 0.45 -0.81 0.00 0.00 175.30 175.13 3mu1 s SER 36 N 0.96 3.72 1.95 -2.12 0.15 0.11 -4.78 113.70 113.70 3mu1 s SER 36 Ca 0.43 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 54.97 3mu1 s SER 36 Cb -0.19 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 3mu1 s SER 36 CO 0.20 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mu1 n GLY 36 N 4.21 2.56 0.34 9.45 0.00 -1.26 -1.42 105.19 119.07 3mu1 n GLY 36 Ca 0.04 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.46 3mu1 n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mu1 n SER 36 N 10.70 1.37 -4.62 1.61 2.88 -1.26 -4.96 113.62 119.34 3mu1 n SER 36 Ca 0.00 -1.11 -0.30 0.00 -1.33 0.00 0.00 58.87 56.12 3mu1 n SER 36 Cb 0.00 0.24 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 3mu1 n SER 36 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3mu1 s SER 37 N -2.48 3.79 0.08 -3.46 0.15 -0.51 -5.15 113.70 106.13 3mu1 s SER 37 Ca 0.23 -1.60 0.09 0.00 0.70 0.00 0.00 55.95 55.37 3mu1 s SER 37 Cb 0.19 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 3mu1 s SER 37 CO 0.53 -0.78 -0.25 0.26 1.20 0.00 0.00 173.24 174.20 3mu1 s TRP 38 N -2.92 2.14 -0.02 3.44 0.52 -1.26 0.07 118.94 120.91 3mu1 s TRP 38 Ca 0.15 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.90 3mu1 s TRP 38 Cb 0.04 -1.23 -0.00 0.00 -1.15 0.00 0.00 33.47 31.13 3mu1 s TRP 38 CO 0.08 0.19 -0.11 0.00 0.02 0.00 0.00 176.95 177.14 3mu1 s ALA 39 N -0.93 0.97 0.18 0.98 0.00 -0.06 -4.89 121.76 118.01 3mu1 s ALA 39 Ca 0.11 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 3mu1 s ALA 39 Cb -0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 3mu1 s ALA 39 CO 0.03 0.18 1.47 -1.58 0.00 0.00 0.00 175.76 175.87 3mu1 s HIS 40 N 0.04 3.11 -0.01 0.00 2.46 -1.26 -0.83 115.29 118.80 3mu1 s HIS 40 Ca -0.01 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.39 3mu1 s HIS 40 Cb -0.08 -3.81 -0.01 0.00 -0.13 0.00 0.00 32.58 28.55 3mu1 s HIS 40 CO 0.00 -2.84 -0.00 -2.37 -2.47 0.00 0.00 174.74 167.07 3mu1 n THR 41 N 3.37 0.04 -3.84 0.89 5.66 -0.04 -4.90 114.28 115.45 3mu1 n THR 41 Ca 0.11 -0.02 -0.07 0.00 -3.05 0.00 0.00 64.05 61.02 3mu1 n THR 41 Cb 0.40 -0.86 0.02 0.00 -1.55 0.00 0.00 70.33 68.34 3mu1 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu1 n GLY 43 N -0.60 2.20 4.02 0.00 0.00 0.17 -0.64 105.19 110.33 3mu1 n GLY 43 Ca -0.06 -2.23 0.04 0.00 0.00 0.00 0.00 46.02 43.77 3mu1 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu1 s GLY 44 N -3.99 -0.19 -0.05 -0.02 0.00 -1.13 -3.70 107.32 98.25 3mu1 s GLY 44 Ca 0.42 0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.28 3mu1 s GLY 44 CO 0.27 6.42 -0.10 -1.59 0.00 0.00 0.00 173.10 178.10 3mu1 s THR 45 N -2.01 0.96 -0.19 0.90 2.01 -0.35 -1.57 115.64 115.39 3mu1 s THR 45 Ca 0.31 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 3mu1 s THR 45 Cb -0.00 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 3mu1 s THR 45 CO -0.02 0.31 1.27 -0.22 -0.69 0.00 0.00 174.62 175.27 3mu1 s LEU 46 N 0.65 4.12 -0.04 4.42 2.96 -0.02 -0.59 118.68 130.18 3mu1 s LEU 46 Ca -0.12 1.59 0.09 0.00 -0.22 0.00 0.00 54.13 55.46 3mu1 s LEU 46 Cb -0.15 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 3mu1 s LEU 46 CO 0.03 -0.82 0.13 2.30 -1.32 0.00 0.00 176.35 176.66 3mu1 n ILE 47 N 5.54 0.25 -4.27 6.68 -5.35 -0.30 0.26 119.36 122.17 3mu1 n ILE 47 Ca 0.14 -0.28 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 3mu1 n ILE 47 Cb 0.45 -0.16 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 3mu1 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mu1 s ARG 48 N -2.46 1.28 0.65 6.28 1.81 -0.94 -4.72 118.95 120.85 3mu1 s ARG 48 Ca -0.04 -1.67 0.39 0.00 -1.72 0.00 0.00 55.73 52.70 3mu1 s ARG 48 Cb 0.04 -0.13 2.17 0.00 -0.45 0.00 0.00 34.95 36.59 3mu1 s ARG 48 CO 0.37 -0.28 2.26 1.96 -0.68 0.00 0.00 175.30 178.93 3mu1 h GLN 49 N 2.52 0.00 0.00 3.54 4.20 -1.95 -2.41 115.11 121.01 3mu1 h GLN 49 Ca -0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 3mu1 h GLN 49 Cb 1.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3mu1 h GLN 49 CO 0.60 0.00 -0.23 0.27 -0.67 0.00 0.00 178.83 178.79 3mu1 n ASN 50 N -3.19 1.44 -3.92 1.46 6.94 -1.26 -1.49 115.26 115.24 3mu1 n ASN 50 Ca -0.02 -2.71 -0.14 0.00 -0.02 0.00 0.00 54.58 51.69 3mu1 n ASN 50 Cb 0.15 -0.35 -0.14 0.00 -2.36 0.00 0.00 39.78 37.08 3mu1 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mu1 s TRP 51 N -1.79 0.24 0.01 -2.53 0.52 -0.91 -0.66 118.94 113.83 3mu1 s TRP 51 Ca 0.21 -0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.34 3mu1 s TRP 51 Cb 0.19 -0.16 -0.02 0.00 -1.15 0.00 0.00 33.47 32.33 3mu1 s TRP 51 CO 0.01 -0.01 -0.23 0.08 0.02 0.00 0.00 176.95 176.82 3mu1 s VAL 52 N -0.13 1.80 -0.15 4.03 1.01 -0.26 -1.15 120.40 125.55 3mu1 s VAL 52 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3mu1 s VAL 52 Cb -0.01 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3mu1 s VAL 52 CO -0.00 0.42 -0.02 -0.32 0.00 0.00 0.00 175.10 175.18 3mu1 s MET 53 N -0.77 3.66 0.06 2.72 1.75 0.24 -0.08 119.30 126.88 3mu1 s MET 53 Ca 0.09 -0.48 0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3mu1 s MET 53 Cb -0.09 -2.95 -0.00 0.00 2.84 0.00 0.00 34.83 34.62 3mu1 s MET 53 CO 0.00 0.30 0.07 -2.37 -0.65 0.00 0.00 175.02 172.37 3mu1 n THR 54 N 3.38 0.00 -3.23 10.11 5.66 -0.33 -1.21 114.28 128.66 3mu1 n THR 54 Ca -0.17 -0.42 -0.36 0.00 -3.05 0.00 0.00 64.05 60.05 3mu1 n THR 54 Cb 0.53 0.22 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 3mu1 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu1 s ALA 55 N -2.08 3.52 0.27 1.79 0.00 -1.26 -1.15 121.76 122.85 3mu1 s ALA 55 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3mu1 s ALA 55 Cb 0.00 -2.67 0.34 0.00 0.00 0.00 0.00 23.12 20.80 3mu1 s ALA 55 CO 0.05 0.39 1.94 0.00 0.00 0.00 0.00 175.76 178.14 3mu1 h ALA 56 N 3.72 1.34 0.00 0.00 0.00 -1.69 -2.43 119.26 120.21 3mu1 h ALA 56 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3mu1 h ALA 56 Cb 1.20 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3mu1 h ALA 56 CO 0.65 0.61 0.00 1.12 0.00 0.00 0.00 179.25 181.63 3mu1 h HIS 57 N 1.26 0.00 0.00 0.00 2.07 -1.92 -2.15 115.15 114.41 3mu1 h HIS 57 Ca 0.34 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.79 3mu1 h HIS 57 Cb -0.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 3mu1 h HIS 57 CO -0.00 0.00 -0.34 0.00 -3.07 0.00 0.00 177.93 174.52 3mu1 n VAL 59 N -3.56 2.42 -0.03 0.00 0.24 -0.82 -4.60 118.33 111.98 3mu1 n VAL 59 Ca -0.00 -2.81 -0.09 0.00 -2.04 0.00 0.00 64.34 59.40 3mu1 n VAL 59 Cb 0.48 -0.29 0.06 0.00 -1.47 0.00 0.00 33.84 32.62 3mu1 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mu1 h ASP 60 N 1.00 0.70 -3.99 -1.34 3.45 -1.55 -3.45 116.42 111.25 3mu1 h ASP 60 Ca 0.14 -0.33 -0.46 0.00 0.43 0.00 0.00 57.03 56.81 3mu1 h ASP 60 Cb 1.44 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 3mu1 h ASP 60 CO 0.26 1.05 0.35 -0.13 -1.57 0.00 0.00 179.24 179.20 3mu1 s ARG 61 N -4.20 4.32 -1.58 3.56 0.52 -1.26 -4.95 118.95 115.37 3mu1 s ARG 61 Ca -0.08 1.25 -0.10 0.00 -0.52 0.00 0.00 55.73 56.28 3mu1 s ARG 61 Cb 0.12 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 33.10 3mu1 s ARG 61 CO 0.84 0.05 2.85 0.39 0.02 0.00 0.00 175.30 179.45 3mu1 n GLU 62 N -0.17 3.77 -3.80 3.54 -0.58 -1.26 -4.93 120.64 117.21 3mu1 n GLU 62 Ca 0.05 -2.38 -0.21 0.00 -0.42 0.00 0.00 57.16 54.20 3mu1 n GLU 62 Cb 0.52 -2.81 -0.04 0.00 -0.57 0.00 0.00 31.44 28.54 3mu1 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mu1 s LEU 63 N 0.01 3.52 -0.21 -4.62 1.43 -1.26 -5.09 118.68 112.45 3mu1 s LEU 63 Ca 0.67 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 3mu1 s LEU 63 Cb 0.18 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3mu1 s LEU 63 CO -0.07 -0.41 0.66 -0.89 0.23 0.00 0.00 176.35 175.88 3mu1 s THR 64 N -2.35 4.99 0.16 5.49 2.01 -1.26 -5.02 115.64 119.66 3mu1 s THR 64 Ca 0.42 1.23 0.08 0.00 0.31 0.00 0.00 61.69 63.72 3mu1 s THR 64 Cb -0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3mu1 s THR 64 CO 0.26 0.07 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.85 3mu1 s PHE 65 N 2.16 2.76 0.06 4.92 0.08 -1.26 -1.81 117.98 124.89 3mu1 s PHE 65 Ca 0.29 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.18 3mu1 s PHE 65 Cb -0.16 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3mu1 s PHE 65 CO 0.10 0.50 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.68 3mu1 s ARG 65 N -2.77 0.65 -0.08 0.44 1.70 -0.09 -3.16 118.95 115.65 3mu1 s ARG 65 Ca 0.26 -1.10 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 3mu1 s ARG 65 Cb -0.09 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.18 3mu1 s ARG 65 CO 0.17 -0.03 -0.03 0.08 -1.08 0.00 0.00 175.30 174.40 3mu1 s VAL 66 N -3.00 4.03 -0.15 4.99 1.01 0.02 -0.99 120.40 126.30 3mu1 s VAL 66 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3mu1 s VAL 66 Cb 0.01 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3mu1 s VAL 66 CO -0.05 0.60 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 3mu1 s VAL 67 N -0.79 2.29 0.22 2.92 1.01 0.12 -1.35 120.40 124.82 3mu1 s VAL 67 Ca 0.12 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3mu1 s VAL 67 Cb -0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3mu1 s VAL 67 CO 0.02 0.54 -0.02 0.68 0.00 0.00 0.00 175.10 176.32 3mu1 s VAL 68 N 0.85 3.51 -1.13 2.92 -7.23 -0.53 -1.67 120.40 117.13 3mu1 s VAL 68 Ca -0.06 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3mu1 s VAL 68 Cb -0.15 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.97 3mu1 s VAL 68 CO -0.02 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3mu1 n GLY 69 N -0.44 0.07 3.87 2.32 0.00 -1.25 -1.62 105.19 108.13 3mu1 n GLY 69 Ca -0.08 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3mu1 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mu1 s GLU 70 N -4.40 3.67 0.00 1.61 2.56 -1.26 -3.48 118.70 117.40 3mu1 s GLU 70 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.05 3mu1 s GLU 70 Cb 0.00 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 33.02 3mu1 s GLU 70 CO 0.00 0.66 0.00 1.58 -0.56 0.00 0.00 175.26 176.94 3mu1 n HIS 71 N 1.38 0.00 -3.95 5.30 -0.00 -1.26 -4.93 115.22 111.76 3mu1 n HIS 71 Ca -0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.25 3mu1 n HIS 71 Cb 0.53 0.24 -0.14 0.00 -0.00 0.00 0.00 29.99 30.62 3mu1 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mu1 s ASN 72 N -4.87 4.18 0.46 0.26 3.84 -1.26 -1.13 114.94 116.42 3mu1 s ASN 72 Ca 0.00 -0.61 0.22 0.00 0.21 0.00 0.00 52.86 52.68 3mu1 s ASN 72 Cb 0.00 -1.68 1.14 0.00 -0.55 0.00 0.00 41.25 40.16 3mu1 s ASN 72 CO 0.00 -0.06 1.96 -0.07 -2.79 0.00 0.00 177.10 176.14 3mu1 h LEU 73 N 8.06 0.00 0.00 3.21 3.38 -1.01 -3.18 115.31 125.77 3mu1 h LEU 73 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3mu1 h LEU 73 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3mu1 h LEU 73 CO 0.60 0.21 -1.80 -0.46 0.09 0.00 0.00 178.44 177.07 3mu1 n ASN 74 N -3.79 0.20 -4.76 -0.43 6.94 -1.26 -4.98 115.26 107.17 3mu1 n ASN 74 Ca -0.02 -0.19 -0.29 0.00 -0.02 0.00 0.00 54.58 54.06 3mu1 n ASN 74 Cb 0.31 1.80 -0.06 0.00 -2.36 0.00 0.00 39.78 39.47 3mu1 n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mu1 s GLN 75 N -3.42 2.80 -0.14 -3.83 -0.21 -1.20 -5.07 119.66 108.58 3mu1 s GLN 75 Ca -0.05 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.24 3mu1 s GLN 75 Cb 0.14 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 3mu1 s GLN 75 CO 0.90 0.53 1.14 1.21 -2.12 0.00 0.00 175.29 176.95 3mu1 s ASN 76 N -2.63 7.07 0.05 5.90 2.47 -1.26 -4.68 114.94 121.85 3mu1 s ASN 76 Ca 0.29 1.62 0.23 0.00 0.42 0.00 0.00 52.86 55.42 3mu1 s ASN 76 Cb -0.11 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.18 3mu1 s ASN 76 CO 0.22 -0.63 1.02 0.59 -3.72 0.00 0.00 177.10 174.57 3mu1 n ASN 77 N 5.87 0.61 -0.01 -4.21 4.13 -1.26 -4.96 115.26 115.43 3mu1 n ASN 77 Ca 0.12 -0.19 -0.00 0.00 1.68 0.00 0.00 54.58 56.18 3mu1 n ASN 77 Cb 0.46 0.81 -0.00 0.00 -1.54 0.00 0.00 39.78 39.51 3mu1 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mu1 n GLY 78 N 1.36 0.40 0.00 7.41 0.00 -1.26 -4.87 105.19 108.23 3mu1 n GLY 78 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3mu1 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mu1 n THR 79 N -2.77 0.00 -2.70 2.61 -2.24 -1.26 -5.09 114.28 102.83 3mu1 n THR 79 Ca -0.00 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 3mu1 n THR 79 Cb 0.12 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3mu1 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mu1 s GLU 80 N -0.09 4.51 -0.04 -0.78 8.01 -1.23 -4.42 118.70 124.66 3mu1 s GLU 80 Ca 0.00 1.42 0.06 0.00 0.01 0.00 0.00 54.97 56.45 3mu1 s GLU 80 Cb 0.00 -2.80 -0.01 0.00 -4.31 0.00 0.00 34.13 27.01 3mu1 s GLU 80 CO 0.00 0.19 -0.21 -0.65 0.01 0.00 0.00 175.26 174.60 3mu1 s GLN 81 N -2.06 2.00 -0.14 1.61 -0.21 -0.64 -4.99 119.66 115.24 3mu1 s GLN 81 Ca 0.51 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 55.15 3mu1 s GLN 81 Cb -0.21 -1.79 -0.00 0.00 1.00 0.00 0.00 33.01 32.01 3mu1 s GLN 81 CO 0.26 0.36 -0.18 0.71 -2.12 0.00 0.00 175.29 174.32 3mu1 s TYR 82 N -0.22 2.71 -0.01 0.91 1.51 -1.26 -1.45 117.35 119.54 3mu1 s TYR 82 Ca 0.01 -1.07 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 3mu1 s TYR 82 Cb -0.11 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 3mu1 s TYR 82 CO 0.02 -0.46 -0.06 0.54 -1.11 0.00 0.00 175.55 174.47 3mu1 s VAL 83 N 0.66 0.50 0.70 0.71 0.11 -0.46 -5.00 120.40 117.62 3mu1 s VAL 83 Ca -0.09 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.58 3mu1 s VAL 83 Cb -0.16 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3mu1 s VAL 83 CO 0.02 0.15 1.09 -0.83 -3.33 0.00 0.00 175.10 172.20 3mu1 s GLY 84 N -0.02 1.92 -0.29 6.54 0.00 -1.26 -0.80 107.32 113.41 3mu1 s GLY 84 Ca 0.01 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 44.97 3mu1 s GLY 84 CO -0.00 0.73 0.34 0.14 0.00 0.00 0.00 173.10 174.30 3mu1 s VAL 85 N -2.63 5.20 -0.10 1.40 1.01 -1.19 -0.70 120.40 123.39 3mu1 s VAL 85 Ca 0.64 0.39 0.03 0.00 0.00 0.00 0.00 61.98 63.04 3mu1 s VAL 85 Cb -0.18 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 3mu1 s VAL 85 CO 0.48 0.13 0.45 1.67 0.00 0.00 0.00 175.10 177.82 3mu1 n GLN 86 N 5.29 0.70 -3.82 2.72 7.27 0.86 -4.85 117.38 125.55 3mu1 n GLN 86 Ca -0.10 0.26 -0.12 0.00 0.07 0.00 0.00 57.00 57.11 3mu1 n GLN 86 Cb 0.51 -1.73 -0.11 0.00 2.41 0.00 0.00 30.24 31.32 3mu1 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mu1 s LYS 87 N -2.57 0.41 -0.18 3.69 2.20 -1.09 -4.98 119.74 117.22 3mu1 s LYS 87 Ca -0.15 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 3mu1 s LYS 87 Cb 0.07 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 3mu1 s LYS 87 CO 0.79 -0.09 -0.18 0.42 -0.36 0.00 0.00 175.35 175.93 3mu1 s ILE 88 N -0.64 1.95 -0.37 5.43 1.01 -1.26 -0.97 121.20 126.35 3mu1 s ILE 88 Ca -0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 3mu1 s ILE 88 Cb -0.04 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.71 3mu1 s ILE 88 CO 0.01 0.49 0.15 -0.69 0.00 0.00 0.00 174.94 174.90 3mu1 s VAL 89 N 1.33 3.42 0.14 2.92 1.01 0.35 -5.00 120.40 124.57 3mu1 s VAL 89 Ca 0.04 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.25 3mu1 s VAL 89 Cb -0.13 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 3mu1 s VAL 89 CO -0.12 -0.45 0.47 -0.69 0.00 0.00 0.00 175.10 174.30 3mu1 s VAL 90 N 1.25 5.01 0.07 2.92 1.01 -1.26 -0.74 120.40 128.65 3mu1 s VAL 90 Ca 0.03 0.48 -0.35 0.00 0.00 0.00 0.00 61.98 62.13 3mu1 s VAL 90 Cb -0.22 -3.65 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 3mu1 s VAL 90 CO -0.02 0.15 1.55 1.57 0.00 0.00 0.00 175.10 178.36 3mu1 n HIS 91 N 0.50 2.01 0.25 5.22 -0.00 -0.84 -4.84 115.22 117.52 3mu1 n HIS 91 Ca -0.04 0.38 0.14 0.00 0.46 0.00 0.00 57.72 58.65 3mu1 n HIS 91 Cb 0.52 -2.48 0.69 0.00 -0.12 0.00 0.00 29.99 28.60 3mu1 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mu1 h PRO 92 N 6.01 0.00 -0.03 1.57 0.13 -1.92 -1.09 132.00 136.67 3mu1 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mu1 h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3mu1 h PRO 92 CO 0.87 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.29 3mu1 n TYR 93 N -2.46 0.00 -1.78 1.56 4.01 -1.26 -4.94 117.16 112.29 3mu1 n TYR 93 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3mu1 n TYR 93 Cb 0.10 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3mu1 n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mu1 s TRP 94 N -2.01 2.70 -0.14 -0.72 -0.11 -0.42 -4.90 118.94 113.34 3mu1 s TRP 94 Ca 0.29 0.89 -0.01 0.00 1.22 0.00 0.00 56.10 58.48 3mu1 s TRP 94 Cb 0.20 -4.06 0.04 0.00 -1.50 0.00 0.00 33.47 28.15 3mu1 s TRP 94 CO 0.31 -3.44 -0.01 1.21 -4.62 0.00 0.00 176.95 170.39 3mu1 s ASN 95 N 0.31 2.39 0.56 5.86 3.84 -1.26 -4.98 114.94 121.66 3mu1 s ASN 95 Ca 0.60 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 53.48 3mu1 s ASN 95 Cb -0.48 -0.67 1.46 0.00 -0.55 0.00 0.00 41.25 41.02 3mu1 s ASN 95 CO 0.52 -0.21 1.92 0.00 -2.79 0.00 0.00 177.10 176.54 3mu1 h THR 96 N 6.38 0.52 0.00 -5.21 1.03 -1.98 -0.40 112.91 113.25 3mu1 h THR 96 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 3mu1 h THR 96 Cb 1.12 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 3mu1 h THR 96 CO 0.34 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.32 3mu1 n ASP 97 N -4.06 0.00 -2.73 0.00 9.92 -1.26 -4.40 116.55 114.02 3mu1 n ASP 97 Ca 0.12 -0.70 -0.05 0.00 -0.53 0.00 0.00 54.79 53.62 3mu1 n ASP 97 Cb 0.74 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.26 3mu1 n ASP 97 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3mu1 n ASP 98 N -0.94 -2.72 -1.70 -2.24 -0.08 -0.16 -5.05 116.55 103.67 3mu1 n ASP 98 Ca 0.13 -2.58 0.00 0.00 -1.51 0.00 0.00 54.79 50.83 3mu1 n ASP 98 Cb 0.06 1.49 0.00 0.00 2.34 0.00 0.00 41.12 45.02 3mu1 n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3mu1 n VAL 99 N 2.33 0.14 0.00 5.18 3.14 -1.26 -3.87 118.33 123.99 3mu1 n VAL 99 Ca 0.12 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3mu1 n VAL 99 Cb 0.61 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 3mu1 n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mu1 n ALA 99 N 1.69 0.00 0.00 1.55 0.00 -1.26 -4.77 120.51 117.71 3mu1 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mu1 n ALA 99 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3mu1 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu1 n GLY 100 N 0.00 -1.39 2.41 0.00 0.00 -1.25 -4.99 105.19 99.97 3mu1 n GLY 100 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 3mu1 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mu1 n TYR 101 N 0.00 -0.24 -2.33 1.61 4.01 -1.26 -4.65 117.16 114.30 3mu1 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mu1 n TYR 101 Cb 0.00 -2.92 0.00 0.00 -0.31 0.00 0.00 39.34 36.11 3mu1 n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mu1 n ASP 102 N -0.71 4.64 -3.67 7.72 4.64 -1.26 -4.35 116.55 123.57 3mu1 n ASP 102 Ca -0.17 -2.92 -0.14 0.00 -1.38 0.00 0.00 54.79 50.18 3mu1 n ASP 102 Cb 0.56 -1.68 -0.08 0.00 -1.04 0.00 0.00 41.12 38.88 3mu1 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mu1 s ILE 103 N 3.23 0.01 0.00 5.18 2.07 -1.26 -3.84 121.20 126.59 3mu1 s ILE 103 Ca 0.49 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.52 3mu1 s ILE 103 Cb 0.07 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.90 3mu1 s ILE 103 CO 0.01 -0.05 0.26 0.00 -1.91 0.00 0.00 174.94 173.25 3mu1 s ALA 104 N -0.32 -0.63 -0.07 1.50 0.00 -0.30 -1.99 121.76 119.95 3mu1 s ALA 104 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3mu1 s ALA 104 Cb -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3mu1 s ALA 104 CO 0.03 -0.27 -0.21 -0.51 0.00 0.00 0.00 175.76 174.80 3mu1 s LEU 105 N -1.48 2.30 -0.17 0.00 1.43 0.08 -1.19 118.68 119.65 3mu1 s LEU 105 Ca -0.12 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3mu1 s LEU 105 Cb -0.05 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3mu1 s LEU 105 CO 0.02 0.24 -0.11 -0.76 0.23 0.00 0.00 176.35 175.97 3mu1 s LEU 106 N -0.11 2.70 -0.13 1.79 1.43 0.88 -0.49 118.68 124.76 3mu1 s LEU 106 Ca -0.04 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 3mu1 s LEU 106 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3mu1 s LEU 106 CO 0.04 0.08 0.56 -0.60 0.23 0.00 0.00 176.35 176.65 3mu1 s ARG 107 N 0.88 4.33 0.30 1.70 3.52 -0.14 -1.10 118.95 128.43 3mu1 s ARG 107 Ca -0.03 0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 3mu1 s ARG 107 Cb -0.15 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 3mu1 s ARG 107 CO 0.00 0.05 0.65 -0.51 -0.81 0.00 0.00 175.30 174.67 3mu1 s LEU 108 N 0.95 4.04 0.37 -0.88 1.43 0.16 -0.10 118.68 124.66 3mu1 s LEU 108 Ca 0.29 1.01 0.13 0.00 -1.03 0.00 0.00 54.13 54.53 3mu1 s LEU 108 Cb -0.16 -3.82 0.72 0.00 0.03 0.00 0.00 46.19 42.96 3mu1 s LEU 108 CO 0.12 -0.21 1.83 0.00 0.23 0.00 0.00 176.35 178.32 3mu1 h ALA 109 N 2.00 1.39 -2.28 4.21 0.00 -1.24 -3.42 119.26 119.91 3mu1 h ALA 109 Ca -0.47 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 53.86 3mu1 h ALA 109 Cb 1.18 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3mu1 h ALA 109 CO 0.66 0.46 -0.70 -0.65 0.00 0.00 0.00 179.25 179.02 3mu1 s GLN 110 N -4.20 0.85 0.08 0.00 1.11 -1.26 -5.04 119.66 111.20 3mu1 s GLN 110 Ca -0.03 -1.32 -0.25 0.00 0.01 0.00 0.00 55.36 53.77 3mu1 s GLN 110 Cb 0.14 -0.26 -0.06 0.00 -1.01 0.00 0.00 33.01 31.82 3mu1 s GLN 110 CO 0.73 -0.00 0.79 -1.12 0.01 0.00 0.00 175.29 175.69 3mu1 s SER 111 N -2.99 7.28 0.50 5.90 0.01 -1.26 -4.70 113.70 118.44 3mu1 s SER 111 Ca 0.11 1.52 -0.08 0.00 1.31 0.00 0.00 55.95 58.82 3mu1 s SER 111 Cb 0.04 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3mu1 s SER 111 CO -0.04 0.05 0.85 0.68 0.41 0.00 0.00 173.24 175.19 3mu1 s VAL 112 N -0.29 4.83 -0.09 3.43 -7.23 -0.56 -4.99 120.40 115.50 3mu1 s VAL 112 Ca 0.39 0.47 -0.18 0.00 -1.81 0.00 0.00 61.98 60.85 3mu1 s VAL 112 Cb -0.21 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 32.84 3mu1 s VAL 112 CO 0.24 -0.87 0.47 -0.89 -0.31 0.00 0.00 175.10 173.74 3mu1 s THR 113 N -2.79 5.14 0.18 5.32 2.01 -1.26 -4.88 115.64 119.36 3mu1 s THR 113 Ca 0.50 0.94 -0.19 0.00 0.31 0.00 0.00 61.69 63.25 3mu1 s THR 113 Cb -0.10 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 3mu1 s THR 113 CO 0.44 0.38 0.68 -0.76 -0.69 0.00 0.00 174.62 174.68 3mu1 s LEU 114 N 0.23 4.40 0.00 4.42 1.43 -1.26 -4.82 118.68 123.08 3mu1 s LEU 114 Ca 0.25 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 3mu1 s LEU 114 Cb -0.16 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3mu1 s LEU 114 CO 0.11 0.10 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 3mu1 n ASN 115 N 0.99 0.00 0.08 2.29 0.23 -0.49 -4.96 115.26 113.41 3mu1 n ASN 115 Ca -0.04 -0.97 0.09 0.00 -0.53 0.00 0.00 54.58 53.12 3mu1 n ASN 115 Cb 0.51 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.60 3mu1 n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mu1 n SER 116 N -0.85 0.38 -0.00 0.53 3.41 -1.26 -2.24 113.62 113.59 3mu1 n SER 116 Ca 0.00 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 3mu1 n SER 116 Cb 0.00 -0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 63.14 3mu1 n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mu1 n TYR 117 N -1.94 0.00 -3.74 7.33 4.01 -1.26 -4.77 117.16 116.79 3mu1 n TYR 117 Ca 0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 3mu1 n TYR 117 Cb 0.15 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 38.86 3mu1 n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mu1 s VAL 118 N -2.97 0.59 0.04 -0.72 1.01 -0.95 -3.89 120.40 113.52 3mu1 s VAL 118 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3mu1 s VAL 118 Cb 0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3mu1 s VAL 118 CO 0.78 -0.29 0.03 -1.10 0.00 0.00 0.00 175.10 174.52 3mu1 s GLN 119 N 1.82 0.56 0.29 2.72 -1.52 -0.73 -1.39 119.66 121.41 3mu1 s GLN 119 Ca 0.01 -0.93 -0.29 0.00 -1.95 0.00 0.00 55.36 52.20 3mu1 s GLN 119 Cb -0.17 0.21 -0.10 0.00 -0.22 0.00 0.00 33.01 32.73 3mu1 s GLN 119 CO -0.11 -0.12 1.12 -0.51 -0.25 0.00 0.00 175.29 175.41 3mu1 s LEU 120 N -2.37 4.52 0.28 2.90 1.43 -1.26 -3.33 118.68 120.85 3mu1 s LEU 120 Ca -0.02 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 3mu1 s LEU 120 Cb 0.01 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3mu1 s LEU 120 CO -0.07 -0.20 1.09 -0.83 0.23 0.00 0.00 176.35 176.57 3mu1 s GLY 121 N -0.86 3.06 -0.11 -3.19 0.00 0.14 -4.80 107.32 101.55 3mu1 s GLY 121 Ca 0.45 0.87 -0.20 0.00 0.00 0.00 0.00 44.72 45.85 3mu1 s GLY 121 CO 0.42 1.47 0.54 0.14 0.00 0.00 0.00 173.10 175.67 3mu1 s VAL 122 N -1.18 5.14 0.16 1.40 1.01 -1.26 -4.79 120.40 120.88 3mu1 s VAL 122 Ca 0.44 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.51 3mu1 s VAL 122 Cb -0.31 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3mu1 s VAL 122 CO 0.40 0.29 0.32 -0.76 0.00 0.00 0.00 175.10 175.35 3mu1 s LEU 123 N 0.76 4.30 0.80 3.92 1.43 -1.26 -0.76 118.68 127.87 3mu1 s LEU 123 Ca 0.29 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3mu1 s LEU 123 Cb -0.16 -3.03 0.08 0.00 0.03 0.00 0.00 46.19 43.11 3mu1 s LEU 123 CO 0.12 0.03 1.17 -2.16 0.23 0.00 0.00 176.35 175.75 3mu1 s PRO 124 N -3.14 2.01 0.46 1.29 0.04 -1.26 -4.88 135.00 129.52 3mu1 s PRO 124 Ca 0.36 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.30 3mu1 s PRO 124 Cb -0.11 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3mu1 s PRO 124 CO 0.28 -1.57 1.12 1.03 0.04 0.00 0.00 177.00 177.91 3mu1 s ARG 125 N -5.56 3.79 0.29 4.56 0.52 -1.26 -4.82 118.95 116.47 3mu1 s ARG 125 Ca 0.62 1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 57.20 3mu1 s ARG 125 Cb -0.11 -2.35 -0.14 0.00 0.52 0.00 0.00 34.95 32.87 3mu1 s ARG 125 CO 0.49 -0.49 1.13 0.00 0.02 0.00 0.00 175.30 176.45 3mu1 n ALA 126 N -0.55 0.29 0.00 2.13 0.00 -1.26 -2.26 120.51 118.85 3mu1 n ALA 126 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3mu1 n ALA 126 Cb 0.49 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3mu1 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu1 n GLY 127 N 1.21 2.19 3.73 0.00 0.00 -0.72 -5.01 105.19 106.58 3mu1 n GLY 127 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3mu1 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mu1 s THR 128 N -2.57 2.62 -0.07 2.61 2.01 -0.96 -5.00 115.64 114.28 3mu1 s THR 128 Ca 0.00 0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.51 3mu1 s THR 128 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3mu1 s THR 128 CO 0.00 0.06 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.17 3mu1 s ILE 129 N 0.59 1.61 0.21 1.82 -1.09 -1.26 -4.76 121.20 118.31 3mu1 s ILE 129 Ca 0.65 -0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 58.10 3mu1 s ILE 129 Cb -0.43 -1.40 -0.08 0.00 -1.58 0.00 0.00 42.46 38.97 3mu1 s ILE 129 CO 0.37 0.46 0.71 -0.76 -1.23 0.00 0.00 174.94 174.49 3mu1 s LEU 130 N 0.31 4.37 0.71 2.97 1.43 -1.26 -5.03 118.68 122.17 3mu1 s LEU 130 Ca -0.12 1.40 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 3mu1 s LEU 130 Cb -0.15 -3.51 0.03 0.00 0.03 0.00 0.00 46.19 42.59 3mu1 s LEU 130 CO 0.05 0.06 1.19 0.00 0.23 0.00 0.00 176.35 177.88 3mu1 s ALA 131 N -1.47 2.21 0.33 4.21 0.00 -1.26 -4.87 121.76 120.90 3mu1 s ALA 131 Ca 0.41 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 3mu1 s ALA 131 Cb -0.17 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 3mu1 s ALA 131 CO 0.21 -1.73 1.04 -1.71 0.00 0.00 0.00 175.76 173.58 3mu1 n ASN 132 N -2.59 1.46 -2.01 0.00 5.15 -1.26 -2.39 115.26 113.62 3mu1 n ASN 132 Ca 0.13 1.15 -0.18 0.00 -0.60 0.00 0.00 54.58 55.08 3mu1 n ASN 132 Cb 0.50 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.42 3mu1 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mu1 n ASN 133 N 1.01 -5.22 -4.78 1.20 5.15 0.12 -4.94 115.26 107.80 3mu1 n ASN 133 Ca 0.09 0.01 -0.37 0.00 -0.60 0.00 0.00 54.58 53.70 3mu1 n ASN 133 Cb 0.34 -4.30 -0.04 0.00 -0.53 0.00 0.00 39.78 35.26 3mu1 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mu1 s SER 134 N -2.22 6.77 -0.08 1.20 0.01 -1.00 -4.60 113.70 113.77 3mu1 s SER 134 Ca 0.00 2.10 -0.30 0.00 1.31 0.00 0.00 55.95 59.06 3mu1 s SER 134 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3mu1 s SER 134 CO 0.00 -0.49 1.28 -2.16 0.41 0.00 0.00 173.24 172.28 3mu1 s PRO 135 N -2.37 4.29 0.07 12.44 0.04 -1.26 -1.27 135.00 146.95 3mu1 s PRO 135 Ca 0.56 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 3mu1 s PRO 135 Cb -0.24 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.64 3mu1 s PRO 135 CO 0.30 -0.57 0.14 0.00 0.04 0.00 0.00 177.00 176.91 3mu1 s TYR 137 N -3.60 1.96 0.02 0.00 2.02 0.08 -0.77 117.35 117.06 3mu1 s TYR 137 Ca 0.03 -0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 3mu1 s TYR 137 Cb 0.04 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 3mu1 s TYR 137 CO -0.09 -0.16 0.31 -1.50 -1.57 0.00 0.00 175.55 172.54 3mu1 s ILE 138 N -0.10 5.22 0.05 2.71 2.07 -0.01 -0.65 121.20 130.49 3mu1 s ILE 138 Ca -0.02 0.31 0.05 0.00 -1.41 0.00 0.00 60.65 59.59 3mu1 s ILE 138 Cb -0.12 -3.60 -0.02 0.00 0.13 0.00 0.00 42.46 38.85 3mu1 s ILE 138 CO 0.02 0.37 -0.15 0.42 -1.91 0.00 0.00 174.94 173.69 3mu1 s THR 139 N -1.30 1.23 0.00 4.00 -4.23 -1.19 -1.08 115.64 113.07 3mu1 s THR 139 Ca 0.28 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3mu1 s THR 139 Cb -0.14 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.59 3mu1 s THR 139 CO 0.16 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 3mu1 n GLY 140 N 1.80 -0.85 1.15 3.99 0.00 -0.72 -4.48 105.19 106.08 3mu1 n GLY 140 Ca -0.18 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.71 3mu1 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mu1 n TRP 141 N -0.57 1.25 -1.20 1.61 8.01 -1.26 -1.69 117.44 123.58 3mu1 n TRP 141 Ca 0.00 -1.03 -0.24 0.00 -1.31 0.00 0.00 57.50 54.92 3mu1 n TRP 141 Cb 0.00 -0.41 0.19 0.00 -2.01 0.00 0.00 31.31 29.08 3mu1 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mu1 n GLY 142 N -0.50 -2.28 3.68 6.99 0.00 -1.25 -1.97 105.19 109.86 3mu1 n GLY 142 Ca 0.26 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 3mu1 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mu1 n LEU 143 N 0.00 4.13 -0.32 0.99 4.77 0.59 -2.63 117.00 124.53 3mu1 n LEU 143 Ca 0.12 1.01 0.12 0.00 -0.03 0.00 0.00 56.01 57.23 3mu1 n LEU 143 Cb 0.46 -1.48 0.11 0.00 -2.33 0.00 0.00 43.42 40.19 3mu1 n LEU 143 CO 0.33 -0.99 0.37 0.35 -1.33 0.00 0.00 177.39 176.12 3mu1 n THR 144 N -0.75 0.00 -3.77 -5.08 -2.24 -0.90 -1.11 114.28 100.43 3mu1 n THR 144 Ca 0.09 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 3mu1 n THR 144 Cb 0.42 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.46 3mu1 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mu1 s ARG 145 N -2.59 0.71 0.11 -0.78 0.52 -1.26 -4.27 118.95 111.39 3mu1 s ARG 145 Ca 0.18 -0.36 -0.35 0.00 -0.52 0.00 0.00 55.73 54.68 3mu1 s ARG 145 Cb 0.18 0.31 -0.15 0.00 0.52 0.00 0.00 34.95 35.81 3mu1 s ARG 145 CO 0.61 -0.21 1.51 2.41 0.02 0.00 0.00 175.30 179.64 3mu1 n THR 147 N 0.98 0.03 -1.89 0.02 -1.04 -1.26 -0.02 114.28 111.10 3mu1 n THR 147 Ca -0.20 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 3mu1 n THR 147 Cb 0.57 -1.30 -0.05 0.00 -1.82 0.00 0.00 70.33 67.73 3mu1 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mu1 n ASN 148 N 3.31 -5.45 -0.19 8.00 3.02 -1.26 -4.96 115.26 117.72 3mu1 n ASN 148 Ca 0.18 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 3mu1 n ASN 148 Cb 0.25 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 3mu1 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu1 n GLY 149 N -0.75 1.77 3.29 7.41 0.00 0.98 -5.13 105.19 112.76 3mu1 n GLY 149 Ca -0.21 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 3mu1 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mu1 s GLN 150 N 3.92 1.18 0.56 1.61 -2.07 -1.26 -4.92 119.66 118.69 3mu1 s GLN 150 Ca 0.00 -1.52 -0.21 0.00 -1.82 0.00 0.00 55.36 51.81 3mu1 s GLN 150 Cb 0.00 -0.84 -0.04 0.00 -1.09 0.00 0.00 33.01 31.04 3mu1 s GLN 150 CO 0.00 0.12 1.31 1.28 -1.32 0.00 0.00 175.29 176.68 3mu1 n LEU 151 N -0.28 5.39 -4.77 2.60 4.77 -1.26 -2.12 117.00 121.33 3mu1 n LEU 151 Ca -0.09 0.94 -0.35 0.00 -0.03 0.00 0.00 56.01 56.48 3mu1 n LEU 151 Cb 0.61 -1.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.16 3mu1 n LEU 151 CO 0.33 -0.78 0.80 0.00 -1.33 0.00 0.00 177.39 176.41 3mu1 s ALA 152 N -1.32 2.64 -0.07 -1.18 0.00 -0.83 -4.84 121.76 116.16 3mu1 s ALA 152 Ca 0.74 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.51 3mu1 s ALA 152 Cb -0.42 -3.39 -0.28 0.00 0.00 0.00 0.00 23.12 19.03 3mu1 s ALA 152 CO 0.48 -0.91 0.56 1.96 0.00 0.00 0.00 175.76 177.85 3mu1 h GLN 153 N 1.08 0.30 -6.24 0.00 4.20 -1.94 -3.46 115.11 109.05 3mu1 h GLN 153 Ca -0.50 -0.51 -0.65 0.00 0.06 0.00 0.00 58.65 57.05 3mu1 h GLN 153 Cb 1.27 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 29.14 3mu1 h GLN 153 CO 0.56 1.20 -0.63 0.95 -0.67 0.00 0.00 178.83 180.24 3mu1 s THR 154 N -2.58 4.28 0.15 -0.54 -4.23 -1.26 -0.35 115.64 111.11 3mu1 s THR 154 Ca -0.17 -0.82 -0.34 0.00 -1.18 0.00 0.00 61.69 59.17 3mu1 s THR 154 Cb 0.06 -3.03 -0.14 0.00 1.34 0.00 0.00 72.50 70.73 3mu1 s THR 154 CO 0.82 0.16 1.53 -0.11 -0.54 0.00 0.00 174.62 176.48 3mu1 n LEU 155 N 0.65 2.82 -4.72 4.79 7.94 -0.29 -4.84 117.00 123.36 3mu1 n LEU 155 Ca -0.10 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.62 3mu1 n LEU 155 Cb 0.52 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 3mu1 n LEU 155 CO 0.41 -0.43 -0.28 -1.10 -1.11 0.00 0.00 177.39 174.87 3mu1 s GLN 156 N 0.84 2.61 0.02 1.96 -1.52 -0.68 -1.28 119.66 121.60 3mu1 s GLN 156 Ca 0.80 -1.02 0.03 0.00 -1.95 0.00 0.00 55.36 53.22 3mu1 s GLN 156 Cb -0.73 -2.47 -0.02 0.00 -0.22 0.00 0.00 33.01 29.57 3mu1 s GLN 156 CO 0.40 0.47 -0.09 1.14 -0.25 0.00 0.00 175.29 176.95 3mu1 s GLN 157 N -3.02 0.68 0.01 2.91 -2.07 0.59 -1.76 119.66 116.99 3mu1 s GLN 157 Ca 0.29 -0.54 0.01 0.00 -1.82 0.00 0.00 55.36 53.30 3mu1 s GLN 157 Cb -0.10 -0.61 -0.01 0.00 -1.09 0.00 0.00 33.01 31.20 3mu1 s GLN 157 CO 0.21 0.15 -0.03 0.00 -1.32 0.00 0.00 175.29 174.30 3mu1 s ALA 158 N -0.69 0.21 -0.29 2.60 0.00 -0.24 -0.52 121.76 122.84 3mu1 s ALA 158 Ca -0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 3mu1 s ALA 158 Cb -0.06 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3mu1 s ALA 158 CO 0.00 -0.01 0.85 -0.47 0.00 0.00 0.00 175.76 176.13 3mu1 s TYR 159 N -0.50 3.23 -0.30 0.00 5.04 -1.26 -0.83 117.35 122.73 3mu1 s TYR 159 Ca -0.04 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.56 3mu1 s TYR 159 Cb -0.04 -3.23 0.10 0.00 0.35 0.00 0.00 41.96 39.14 3mu1 s TYR 159 CO -0.00 -0.54 0.10 -0.51 -1.34 0.00 0.00 175.55 173.26 3mu1 s LEU 160 N 3.02 1.82 0.36 6.97 1.43 0.05 -4.95 118.68 127.38 3mu1 s LEU 160 Ca 0.35 -1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 51.63 3mu1 s LEU 160 Cb -0.14 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.24 3mu1 s LEU 160 CO 0.11 -0.42 1.37 -2.16 0.23 0.00 0.00 176.35 175.48 3mu1 s PRO 161 N 1.73 4.20 0.71 1.29 0.05 -1.26 -3.81 135.00 137.92 3mu1 s PRO 161 Ca 0.09 2.34 -0.14 0.00 0.05 0.00 0.00 61.00 63.34 3mu1 s PRO 161 Cb -0.17 -2.99 0.03 0.00 0.05 0.00 0.00 34.50 31.42 3mu1 s PRO 161 CO -0.28 -0.36 1.15 0.95 0.05 0.00 0.00 177.00 178.51 3mu1 s THR 162 N -1.15 2.78 -0.19 1.26 -4.23 -0.39 -0.73 115.64 112.98 3mu1 s THR 162 Ca 0.51 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 3mu1 s THR 162 Cb -0.42 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 70.60 3mu1 s THR 162 CO 0.56 -0.23 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.61 3mu1 s VAL 163 N -2.24 1.65 0.78 2.29 1.01 -0.20 -0.70 120.40 122.98 3mu1 s VAL 163 Ca 0.70 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 3mu1 s VAL 163 Cb -0.24 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.51 3mu1 s VAL 163 CO 0.45 0.22 1.12 1.51 0.00 0.00 0.00 175.10 178.39 3mu1 s ASP 164 N 1.40 4.25 0.29 3.32 1.47 -1.26 -4.04 116.67 122.11 3mu1 s ASP 164 Ca -0.00 1.99 0.04 0.00 1.18 0.00 0.00 52.55 55.76 3mu1 s ASP 164 Cb -0.16 -2.54 0.68 0.00 -0.34 0.00 0.00 42.92 40.56 3mu1 s ASP 164 CO -0.09 -2.21 1.77 0.22 0.68 0.00 0.00 175.17 175.54 3mu1 h TYR 165 N -0.98 0.96 -0.99 2.11 3.20 -1.93 0.15 116.97 119.49 3mu1 h TYR 165 Ca -0.44 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.50 3mu1 h TYR 165 Cb 1.25 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 3mu1 h TYR 165 CO 0.54 0.20 0.65 0.00 -1.64 0.00 0.00 178.16 177.92 3mu1 h ALA 166 N 1.63 1.35 0.01 1.82 0.00 -1.97 0.43 119.26 122.53 3mu1 h ALA 166 Ca 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 3mu1 h ALA 166 Cb 0.85 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mu1 h ALA 166 CO -0.39 0.56 -0.07 0.82 0.00 0.00 0.00 179.25 180.17 3mu1 h ILE 167 N 1.26 1.77 0.00 0.00 2.04 -1.50 -3.34 117.51 117.74 3mu1 h ILE 167 Ca 0.39 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.89 3mu1 h ILE 167 Cb -0.01 3.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 3mu1 h ILE 167 CO -0.12 0.62 0.00 0.00 0.00 0.00 0.00 178.15 178.65 3mu1 n SER 169 N -2.87 6.79 0.00 0.00 3.41 0.13 -0.79 113.62 120.28 3mu1 n SER 169 Ca 0.01 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 3mu1 n SER 169 Cb 0.30 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 3mu1 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mu1 n SER 170 N 1.55 0.00 0.00 4.04 3.41 -1.26 -3.40 113.62 117.96 3mu1 n SER 170 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3mu1 n SER 170 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3mu1 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mu1 n TYR 171 N 0.00 0.00 0.74 7.33 4.02 -1.26 -4.82 117.16 123.17 3mu1 n TYR 171 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3mu1 n TYR 171 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3mu1 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mu1 n TRP 172 N 0.00 0.00 -3.91 -0.72 7.02 0.03 -4.87 117.44 114.99 3mu1 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mu1 n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3mu1 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mu1 n GLY 173 N 1.31 1.62 0.35 6.99 0.00 -1.22 -0.55 105.19 113.70 3mu1 n GLY 173 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3mu1 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mu1 n SER 174 N -1.86 0.47 0.20 1.61 3.41 -1.26 -2.50 113.62 113.69 3mu1 n SER 174 Ca 0.00 -1.33 0.09 0.00 -0.26 0.00 0.00 58.87 57.37 3mu1 n SER 174 Cb 0.00 -0.23 0.29 0.00 -0.26 0.00 0.00 64.21 64.00 3mu1 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mu1 h THR 175 N 0.00 0.46 -3.31 6.66 2.02 -1.18 -3.44 112.91 114.11 3mu1 h THR 175 Ca 0.00 -1.35 -0.64 0.00 0.77 0.00 0.00 66.41 65.19 3mu1 h THR 175 Cb 0.23 1.99 -0.19 0.00 -1.74 0.00 0.00 68.15 68.44 3mu1 h THR 175 CO 0.00 0.23 -0.64 0.54 0.37 0.00 0.00 175.52 176.02 3mu1 s VAL 176 N -3.35 4.15 0.36 3.16 0.11 -1.04 -4.88 120.40 118.91 3mu1 s VAL 176 Ca 0.03 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.89 3mu1 s VAL 176 Cb 0.08 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 3mu1 s VAL 176 CO 0.67 0.51 0.25 -0.54 -3.33 0.00 0.00 175.10 172.65 3mu1 s LYS 177 N 0.13 2.53 0.58 1.54 -0.14 -1.26 -4.86 119.74 118.25 3mu1 s LYS 177 Ca 0.01 -1.46 0.36 0.00 -1.36 0.00 0.00 55.97 53.51 3mu1 s LYS 177 Cb -0.13 -2.32 1.66 0.00 -1.68 0.00 0.00 37.83 35.36 3mu1 s LYS 177 CO 0.02 0.04 2.10 -0.97 -0.76 0.00 0.00 175.35 175.78 3mu1 h ASN 178 N 1.33 0.00 -0.09 2.83 -1.24 -1.99 -1.99 115.58 114.43 3mu1 h ASN 178 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 3mu1 h ASN 178 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 3mu1 h ASN 178 CO 0.61 0.03 0.00 -1.54 -1.29 0.00 0.00 177.43 175.23 3mu1 n SER 179 N -3.17 0.97 -4.43 1.15 3.41 -1.26 -4.82 113.62 105.48 3mu1 n SER 179 Ca -0.01 -2.05 -0.22 0.00 -0.26 0.00 0.00 58.87 56.33 3mu1 n SER 179 Cb 0.24 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 3mu1 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mu1 s MET 180 N -1.63 1.56 -0.05 4.33 -1.94 -0.75 -1.08 119.30 119.75 3mu1 s MET 180 Ca 0.07 -1.71 0.06 0.00 -1.71 0.00 0.00 55.69 52.41 3mu1 s MET 180 Cb 0.04 -1.54 -0.01 0.00 2.01 0.00 0.00 34.83 35.33 3mu1 s MET 180 CO 0.04 0.28 -0.24 0.08 -0.01 0.00 0.00 175.02 175.16 3mu1 s VAL 181 N -2.66 1.98 0.05 -6.03 1.01 0.40 -4.69 120.40 110.46 3mu1 s VAL 181 Ca 0.27 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3mu1 s VAL 181 Cb -0.04 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3mu1 s VAL 181 CO 0.12 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.73 3mu1 s ALA 183 N -1.14 -0.80 0.00 0.00 0.00 -0.63 -1.03 121.76 118.16 3mu1 s ALA 183 Ca 0.21 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3mu1 s ALA 183 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3mu1 s ALA 183 CO 0.12 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3mu1 n GLY 184 N 2.06 0.78 1.36 0.00 0.00 0.09 -1.77 105.19 107.71 3mu1 n GLY 184 Ca -0.17 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3mu1 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mu1 n GLY 185 N 0.00 0.62 0.02 -0.02 0.00 -1.26 -4.69 105.19 99.85 3mu1 n GLY 185 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3mu1 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mu1 n ASP 186 N 0.63 0.10 0.00 1.61 3.85 -1.26 -1.91 116.55 119.58 3mu1 n ASP 186 Ca 0.00 0.05 0.00 0.00 -0.71 0.00 0.00 54.79 54.13 3mu1 n ASP 186 Cb 0.00 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 3mu1 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mu1 n GLY 187 N 1.39 1.35 0.45 6.12 0.00 -1.26 -4.77 105.19 108.48 3mu1 n GLY 187 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3mu1 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mu1 n VAL 188 N -2.00 0.48 -4.87 1.61 0.31 -1.26 -4.61 118.33 107.99 3mu1 n VAL 188 Ca 0.00 -0.15 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 3mu1 n VAL 188 Cb 0.00 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.50 3mu1 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mu1 s ARG 188 N -2.16 2.58 -0.13 5.55 0.52 -1.26 -3.86 118.95 120.18 3mu1 s ARG 188 Ca -0.12 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3mu1 s ARG 188 Cb 0.04 -2.41 0.13 0.00 0.52 0.00 0.00 34.95 33.23 3mu1 s ARG 188 CO 0.17 0.60 1.03 0.45 0.02 0.00 0.00 175.30 177.56 3mu1 s SER 189 N -0.66 -0.31 1.08 0.23 0.15 -0.79 -4.30 113.70 109.10 3mu1 s SER 189 Ca 0.10 0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.84 3mu1 s SER 189 Cb -0.11 0.28 0.24 0.00 -1.71 0.00 0.00 66.02 64.72 3mu1 s SER 189 CO 0.01 -0.38 1.06 -0.83 1.20 0.00 0.00 173.24 174.30 3mu1 s GLY 190 N -1.62 1.58 0.00 9.45 0.00 -1.26 -0.43 107.32 115.04 3mu1 s GLY 190 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3mu1 s GLY 190 CO -0.03 0.62 0.00 0.00 0.00 0.00 0.00 173.10 173.69 3mu1 s GLN 192 N -1.06 4.27 0.00 0.00 1.11 -1.26 -1.93 119.66 120.79 3mu1 s GLN 192 Ca 0.00 2.29 0.00 0.00 0.01 0.00 0.00 55.36 57.66 3mu1 s GLN 192 Cb 0.00 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 28.88 3mu1 s GLN 192 CO 0.00 -0.43 0.00 0.41 0.01 0.00 0.00 175.29 175.28 3mu1 n GLY 193 N 2.39 1.09 0.03 3.09 0.00 -1.26 -0.30 105.19 110.22 3mu1 n GLY 193 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3mu1 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mu1 n ASP 194 N 0.00 0.48 -4.55 1.61 8.00 -0.81 -3.91 116.55 117.38 3mu1 n ASP 194 Ca 0.00 -0.16 -0.47 0.00 0.71 0.00 0.00 54.79 54.87 3mu1 n ASP 194 Cb 0.00 1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 3mu1 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mu1 n SER 195 N -2.11 0.80 0.00 -2.24 7.64 -1.25 -1.58 113.62 114.88 3mu1 n SER 195 Ca -0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3mu1 n SER 195 Cb 0.49 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3mu1 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mu1 n GLY 196 N 1.62 3.02 3.93 0.23 0.00 0.02 -0.66 105.19 113.35 3mu1 n GLY 196 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3mu1 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu1 s GLY 197 N -2.35 1.69 0.40 -0.02 0.00 -0.61 -3.15 107.32 103.28 3mu1 s GLY 197 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 3mu1 s GLY 197 CO 0.00 -0.51 0.82 2.56 0.00 0.00 0.00 173.10 175.98 3mu1 s PRO 198 N -5.37 3.93 -0.27 2.90 0.04 -1.26 -0.69 135.00 134.27 3mu1 s PRO 198 Ca 0.63 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.32 3mu1 s PRO 198 Cb -0.09 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3mu1 s PRO 198 CO 0.46 -0.02 0.03 -1.17 0.04 0.00 0.00 177.00 176.34 3mu1 s LEU 199 N -3.56 3.54 -0.23 -3.56 2.96 -0.40 -3.15 118.68 114.28 3mu1 s LEU 199 Ca 0.55 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 3mu1 s LEU 199 Cb -0.10 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3mu1 s LEU 199 CO 0.25 -0.14 0.13 -1.00 -1.32 0.00 0.00 176.35 174.27 3mu1 s HIS 200 N 1.47 3.27 -0.01 5.38 3.76 0.17 -1.17 115.29 128.16 3mu1 s HIS 200 Ca 0.03 0.12 0.06 0.00 -0.15 0.00 0.00 55.06 55.12 3mu1 s HIS 200 Cb -0.16 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 3mu1 s HIS 200 CO 0.00 0.03 -0.19 0.00 -0.85 0.00 0.00 174.74 173.73 3mu1 s LEU 202 N -0.49 4.22 -0.07 0.00 2.96 -1.15 -1.16 118.68 122.99 3mu1 s LEU 202 Ca 0.07 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3mu1 s LEU 202 Cb -0.07 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.78 3mu1 s LEU 202 CO -0.01 -0.64 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.66 3mu1 s VAL 203 N 2.82 0.61 -1.51 1.68 1.01 0.02 -4.78 120.40 120.26 3mu1 s VAL 203 Ca 0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 3mu1 s VAL 203 Cb -0.14 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.64 3mu1 s VAL 203 CO 0.15 0.27 0.89 0.59 0.00 0.00 0.00 175.10 177.01 3mu1 n ASN 204 N 4.57 -3.83 0.00 3.32 3.02 -1.26 -2.17 115.26 118.91 3mu1 n ASN 204 Ca -0.16 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3mu1 n ASN 204 Cb 0.50 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3mu1 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu1 n GLY 205 N -1.66 1.86 3.40 7.41 0.00 -1.26 -5.00 105.19 109.93 3mu1 n GLY 205 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3mu1 n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mu1 s GLN 206 N -0.22 1.59 0.13 1.61 -1.52 -0.92 -5.10 119.66 115.23 3mu1 s GLN 206 Ca 0.00 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 51.88 3mu1 s GLN 206 Cb 0.00 -1.97 -0.07 0.00 -0.22 0.00 0.00 33.01 30.75 3mu1 s GLN 206 CO 0.00 0.47 0.88 0.71 -0.25 0.00 0.00 175.29 177.10 3mu1 s TYR 207 N -1.01 3.84 0.14 0.91 2.02 -1.26 -0.80 117.35 121.20 3mu1 s TYR 207 Ca 0.14 1.71 0.04 0.00 -0.37 0.00 0.00 57.07 58.59 3mu1 s TYR 207 Cb -0.10 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 3mu1 s TYR 207 CO 0.06 0.32 -0.09 0.00 -1.57 0.00 0.00 175.55 174.27 3mu1 s ALA 208 N -0.43 1.40 -0.56 3.71 0.00 -0.31 -4.70 121.76 120.86 3mu1 s ALA 208 Ca 0.42 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 3mu1 s ALA 208 Cb -0.23 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3mu1 s ALA 208 CO 0.28 -0.13 0.73 0.08 0.00 0.00 0.00 175.76 176.71 3mu1 s VAL 209 N -3.39 4.74 -0.56 0.00 1.01 0.06 -0.81 120.40 121.46 3mu1 s VAL 209 Ca 0.17 -0.60 0.23 0.00 0.00 0.00 0.00 61.98 61.78 3mu1 s VAL 209 Cb 0.03 -4.44 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 3mu1 s VAL 209 CO 0.00 -1.04 0.99 1.41 0.00 0.00 0.00 175.10 176.47 3mu1 n HIS 210 N 6.54 0.30 -3.94 5.22 8.25 -0.32 -4.12 115.22 127.15 3mu1 n HIS 210 Ca -0.07 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3mu1 n HIS 210 Cb 0.44 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 3mu1 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mu1 s GLY 211 N -3.75 0.15 -0.23 -1.41 0.00 -1.18 -1.44 107.32 99.46 3mu1 s GLY 211 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 3mu1 s GLY 211 CO 0.81 -0.44 -0.02 0.14 0.00 0.00 0.00 173.10 173.59 3mu1 s VAL 212 N -1.14 3.49 0.20 1.40 1.01 -0.65 -1.27 120.40 123.44 3mu1 s VAL 212 Ca -0.12 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.01 3mu1 s VAL 212 Cb -0.08 -2.63 -0.12 0.00 0.00 0.00 0.00 36.38 33.55 3mu1 s VAL 212 CO -0.00 0.36 1.72 -0.89 0.00 0.00 0.00 175.10 176.29 3mu1 s THR 213 N 1.48 2.09 0.08 3.92 2.01 0.13 -0.23 115.64 125.12 3mu1 s THR 213 Ca 0.05 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3mu1 s THR 213 Cb -0.15 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3mu1 s THR 213 CO -0.02 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 173.67 3mu1 n SER 214 N 4.10 0.71 -3.77 3.53 2.88 -0.01 -0.80 113.62 120.25 3mu1 n SER 214 Ca 0.16 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 3mu1 n SER 214 Cb 0.36 -0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.57 3mu1 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mu1 s PHE 215 N -2.00 -0.02 0.34 0.66 -0.71 -0.62 -4.96 117.98 110.68 3mu1 s PHE 215 Ca 0.00 -0.33 0.03 0.00 -1.04 0.00 0.00 56.93 55.60 3mu1 s PHE 215 Cb 0.00 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 3mu1 s PHE 215 CO 0.00 -0.85 0.10 0.14 -1.34 0.00 0.00 175.22 173.27 3mu1 s VAL 216 N -3.89 0.81 0.26 -2.49 -7.23 -1.26 -1.00 120.40 105.60 3mu1 s VAL 216 Ca 0.10 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 3mu1 s VAL 216 Cb 0.00 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 3mu1 s VAL 216 CO -0.03 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 174.96 3mu1 s SER 217 N -3.50 7.17 0.51 4.85 1.04 -1.25 -4.90 113.70 117.63 3mu1 s SER 217 Ca 0.32 2.30 0.37 0.00 0.48 0.00 0.00 55.95 59.41 3mu1 s SER 217 Cb 0.06 -2.62 1.52 0.00 0.10 0.00 0.00 66.02 65.08 3mu1 s SER 217 CO 0.15 -0.24 1.71 0.03 0.98 0.00 0.00 173.24 175.87 3mu1 h ARG 217 N 4.18 0.06 0.00 4.02 3.08 -2.00 -0.27 114.38 123.45 3mu1 h ARG 217 Ca -0.46 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.43 3mu1 h ARG 217 Cb 1.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3mu1 h ARG 217 CO 0.69 0.04 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.81 3mu1 h LEU 218 N 0.06 0.00 0.00 3.04 3.38 -2.04 -3.48 115.31 116.27 3mu1 h LEU 218 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.68 3mu1 h LEU 218 Cb 2.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.38 3mu1 h LEU 218 CO -0.12 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.77 3mu1 n GLY 219 N 0.98 1.46 0.32 0.83 0.00 -0.11 -5.06 105.19 103.60 3mu1 n GLY 219 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3mu1 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu1 s ASN 221 N -4.07 6.68 -0.07 0.00 4.22 -1.26 -4.71 114.94 115.73 3mu1 s ASN 221 Ca -0.11 -2.53 0.03 0.00 -2.14 0.00 0.00 52.86 48.11 3mu1 s ASN 221 Cb 0.01 -2.22 0.01 0.00 1.28 0.00 0.00 41.25 40.33 3mu1 s ASN 221 CO 0.34 -0.64 -0.17 -0.69 -2.04 0.00 0.00 177.10 173.90 3mu1 s VAL 221 N 0.49 1.45 0.28 3.54 1.01 -1.26 -4.65 120.40 121.26 3mu1 s VAL 221 Ca 0.17 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3mu1 s VAL 221 Cb -0.13 -1.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 3mu1 s VAL 221 CO -0.07 0.42 1.53 -0.89 0.00 0.00 0.00 175.10 176.09 3mu1 s THR 222 N 0.43 2.29 -1.97 3.92 2.01 -1.26 -1.66 115.64 119.40 3mu1 s THR 222 Ca -0.13 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3mu1 s THR 222 Cb -0.15 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3mu1 s THR 222 CO 0.05 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.56 3mu1 n ARG 223 N 2.13 -1.37 -3.42 4.92 1.74 -0.80 -4.92 116.66 114.93 3mu1 n ARG 223 Ca 0.07 1.13 -0.26 0.00 -0.77 0.00 0.00 57.85 58.02 3mu1 n ARG 223 Cb 0.39 -5.49 -0.08 0.00 -1.02 0.00 0.00 32.46 26.25 3mu1 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mu1 n LYS 224 N -2.52 1.79 -1.51 5.56 4.76 -0.66 -4.19 118.16 121.39 3mu1 n LYS 224 Ca -0.20 -4.16 -0.35 0.00 -2.87 0.00 0.00 58.31 50.73 3mu1 n LYS 224 Cb 0.64 -1.94 0.09 0.00 -1.84 0.00 0.00 35.03 31.97 3mu1 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3mu1 s PRO 225 N -1.83 2.22 0.40 1.97 0.04 -1.26 -4.53 135.00 132.00 3mu1 s PRO 225 Ca 0.36 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 3mu1 s PRO 225 Cb 0.12 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.73 3mu1 s PRO 225 CO -0.07 -1.82 1.42 2.41 0.04 0.00 0.00 177.00 178.98 3mu1 n THR 226 N -2.44 2.27 -4.41 1.26 -1.04 -0.73 -4.75 114.28 104.44 3mu1 n THR 226 Ca 0.15 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.32 3mu1 n THR 226 Cb 0.49 -1.83 -0.12 0.00 -1.82 0.00 0.00 70.33 67.05 3mu1 n THR 226 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3mu1 s VAL 227 N -1.14 3.91 0.07 12.58 1.01 -0.17 -1.60 120.40 135.06 3mu1 s VAL 227 Ca 0.56 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.28 3mu1 s VAL 227 Cb -0.49 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3mu1 s VAL 227 CO 0.61 0.51 -0.26 -0.36 0.00 0.00 0.00 175.10 175.60 3mu1 s PHE 228 N 0.22 2.33 0.17 5.22 0.08 0.32 -0.83 117.98 125.49 3mu1 s PHE 228 Ca -0.02 -0.40 -0.32 0.00 0.12 0.00 0.00 56.93 56.31 3mu1 s PHE 228 Cb -0.14 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.86 3mu1 s PHE 228 CO 0.03 0.20 1.60 0.99 -0.10 0.00 0.00 175.22 177.94 3mu1 s THR 229 N -0.90 2.54 -0.50 0.64 2.01 0.68 -0.45 115.64 119.67 3mu1 s THR 229 Ca 0.13 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 3mu1 s THR 229 Cb -0.10 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.20 3mu1 s THR 229 CO 0.04 0.03 1.18 -0.60 -0.69 0.00 0.00 174.62 174.57 3mu1 s ARG 230 N 1.24 3.66 0.33 4.92 3.52 -0.24 -1.64 118.95 130.73 3mu1 s ARG 230 Ca 0.71 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 3mu1 s ARG 230 Cb -0.45 -3.95 0.55 0.00 -1.56 0.00 0.00 34.95 29.55 3mu1 s ARG 230 CO 0.31 -1.48 1.98 0.28 -0.81 0.00 0.00 175.30 175.59 3mu1 h VAL 231 N 6.25 1.16 0.00 7.11 2.07 -1.55 -1.35 116.25 129.94 3mu1 h VAL 231 Ca -0.24 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3mu1 h VAL 231 Cb 1.06 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3mu1 h VAL 231 CO 1.14 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 177.37 3mu1 n SER 232 N -4.43 0.22 -0.00 0.57 3.41 -1.26 -1.20 113.62 110.91 3mu1 n SER 232 Ca 0.09 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3mu1 n SER 232 Cb 0.06 -0.62 0.48 0.00 -0.26 0.00 0.00 64.21 63.88 3mu1 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mu1 n ALA 233 N -1.60 2.81 -0.22 7.33 0.00 -0.51 -1.76 120.51 126.55 3mu1 n ALA 233 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.26 3mu1 n ALA 233 Cb 0.09 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.22 3mu1 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mu1 n TYR 234 N -1.49 0.00 -0.31 0.00 4.02 -0.34 -4.78 117.16 114.26 3mu1 n TYR 234 Ca 0.07 -0.48 0.02 0.00 -0.01 0.00 0.00 57.90 57.50 3mu1 n TYR 234 Cb 0.34 -0.05 0.16 0.00 -0.02 0.00 0.00 39.34 39.76 3mu1 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mu1 h ILE 235 N 0.42 1.00 -0.42 -0.72 1.08 -1.71 0.44 117.51 117.60 3mu1 h ILE 235 Ca 0.00 -0.32 -0.08 0.00 -0.39 0.00 0.00 64.86 64.07 3mu1 h ILE 235 Cb 0.61 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3mu1 h ILE 235 CO 0.00 0.17 -0.05 0.77 -0.69 0.00 0.00 178.15 178.35 3mu1 h SER 236 N 0.94 0.78 0.37 1.72 4.64 -1.91 -1.62 113.55 118.46 3mu1 h SER 236 Ca 0.39 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3mu1 h SER 236 Cb 0.24 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3mu1 h SER 236 CO -0.20 0.93 -0.23 -0.25 -0.87 0.00 0.00 176.83 176.22 3mu1 h TRP 237 N 0.61 -0.59 -0.35 4.77 7.01 -1.75 -0.81 115.95 124.84 3mu1 h TRP 237 Ca 0.11 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.17 3mu1 h TRP 237 Cb 0.56 0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.78 3mu1 h TRP 237 CO 0.04 -0.35 -0.02 0.82 -2.79 0.00 0.00 178.44 176.15 3mu1 h ILE 238 N -0.57 0.72 -0.83 2.65 2.04 -0.82 -0.74 117.51 119.96 3mu1 h ILE 238 Ca -0.04 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3mu1 h ILE 238 Cb 0.47 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3mu1 h ILE 238 CO 0.04 0.01 0.47 0.78 0.00 0.00 0.00 178.15 179.45 3mu1 h ASN 239 N 0.08 1.02 -0.59 1.72 2.35 -1.20 -1.81 115.58 117.16 3mu1 h ASN 239 Ca 0.17 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3mu1 h ASN 239 Cb 0.24 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3mu1 h ASN 239 CO -0.30 0.81 0.28 0.78 -1.65 0.00 0.00 177.43 177.35 3mu1 h ASN 240 N 1.16 0.77 -0.07 5.81 2.35 -0.58 0.25 115.58 125.26 3mu1 h ASN 240 Ca 0.30 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3mu1 h ASN 240 Cb 0.00 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 3mu1 h ASN 240 CO -0.05 0.68 0.04 0.58 -1.65 0.00 0.00 177.43 177.03 3mu1 h VAL 241 N 0.80 1.08 -0.62 2.81 2.07 -0.82 -2.03 116.25 119.54 3mu1 h VAL 241 Ca 0.20 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3mu1 h VAL 241 Cb 0.12 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3mu1 h VAL 241 CO -0.03 0.07 0.01 0.40 0.02 0.00 0.00 177.57 178.05 3mu1 h ILE 242 N 0.03 1.27 -0.18 4.57 2.04 -1.11 -2.16 117.51 121.96 3mu1 h ILE 242 Ca 0.03 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 3mu1 h ILE 242 Cb 0.08 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3mu1 h ILE 242 CO -0.00 0.42 -0.23 0.00 0.00 0.00 0.00 178.15 178.34 3mu1 h ALA 243 N 1.00 1.28 0.00 1.87 0.00 -0.94 -2.91 119.26 119.56 3mu1 h ALA 243 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3mu1 h ALA 243 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3mu1 h ALA 243 CO 0.03 0.48 -0.16 0.77 0.00 0.00 0.00 179.25 180.37 3mu1 h SER 244 N 0.29 0.00 0.00 0.00 0.02 -1.01 -3.51 113.55 109.35 3mu1 h SER 244 Ca 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3mu1 h SER 244 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3mu1 h SER 244 CO 0.04 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.32