#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6f s VAL 17 N 0.00 5.44 -0.38 1.39 1.01 0.56 -4.00 120.40 124.43 1s6f s VAL 17 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1s6f s VAL 17 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1s6f s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1s6f n GLY 18 N 2.93 0.59 0.00 4.51 0.00 -1.24 -1.80 105.19 110.19 1s6f n GLY 18 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1s6f n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6f n GLY 19 N -2.29 2.70 3.17 -0.02 0.00 -1.26 -4.84 105.19 102.64 1s6f n GLY 19 Ca -0.04 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1s6f n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6f s TYR 20 N 2.49 0.20 -0.04 1.61 1.13 -0.35 -4.97 117.35 117.42 1s6f s TYR 20 Ca 0.00 -0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 54.78 1s6f s TYR 20 Cb 0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1s6f s TYR 20 CO 0.00 -0.46 1.34 0.99 -2.51 0.00 0.00 175.55 174.90 1s6f s THR 21 N -3.36 3.95 0.69 -3.49 2.01 -1.26 -0.10 115.64 114.08 1s6f s THR 21 Ca 0.01 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.13 1s6f s THR 21 Cb 0.03 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1s6f s THR 21 CO -0.08 -0.02 1.25 0.00 -0.69 0.00 0.00 174.62 175.08 1s6f n ALA 23 N -2.32 1.24 -1.68 0.00 0.00 -1.26 -4.87 120.51 111.62 1s6f n ALA 23 Ca 0.15 0.37 -0.46 0.00 0.00 0.00 0.00 53.44 53.50 1s6f n ALA 23 Cb 0.49 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 1s6f n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6f n ALA 24 N 0.66 1.50 -1.32 0.00 0.00 -1.26 -1.96 120.51 118.13 1s6f n ALA 24 Ca 0.06 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1s6f n ALA 24 Cb 0.35 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 1s6f n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s6f n ASN 25 N 4.08 -5.58 0.00 0.00 4.13 -1.26 -4.87 115.26 111.76 1s6f n ASN 25 Ca 0.18 0.27 0.13 0.00 1.68 0.00 0.00 54.58 56.84 1s6f n ASN 25 Cb 0.30 -4.05 0.71 0.00 -1.54 0.00 0.00 39.78 35.20 1s6f n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s6f n SER 26 N -1.08 0.00 -3.13 6.41 3.41 -0.83 -3.96 113.62 114.44 1s6f n SER 26 Ca -0.11 -0.31 -0.25 0.00 -0.26 0.00 0.00 58.87 57.94 1s6f n SER 26 Cb 0.57 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1s6f n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s6f n ILE 27 N -1.21 2.03 0.35 -1.33 2.08 -1.26 -4.97 119.36 115.05 1s6f n ILE 27 Ca 0.15 -5.19 0.11 0.00 0.56 0.00 0.00 62.75 58.38 1s6f n ILE 27 Cb 0.18 -1.44 0.50 0.00 -0.75 0.00 0.00 39.64 38.13 1s6f n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s6f n PRO 28 N 0.27 0.18 0.05 0.38 -0.04 -1.25 -1.47 135.00 133.11 1s6f n PRO 28 Ca 0.29 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1s6f n PRO 28 Cb 0.45 -1.88 0.29 0.00 -0.04 0.00 0.00 33.50 32.33 1s6f n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s6f n TYR 29 N -2.22 0.45 -2.20 0.54 0.18 -1.14 -2.26 117.16 110.51 1s6f n TYR 29 Ca 0.01 0.13 -0.42 0.00 1.88 0.00 0.00 57.90 59.50 1s6f n TYR 29 Cb 0.19 -0.61 -0.03 0.00 -0.38 0.00 0.00 39.34 38.50 1s6f n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s6f s GLN 30 N -3.10 4.33 0.28 -3.48 2.00 -0.54 -0.86 119.66 118.29 1s6f s GLN 30 Ca 0.09 2.03 0.11 0.00 -2.00 0.00 0.00 55.36 55.59 1s6f s GLN 30 Cb 0.15 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.61 1s6f s GLN 30 CO 0.67 -0.44 -0.09 0.14 -0.50 0.00 0.00 175.29 175.07 1s6f s VAL 31 N 1.28 2.90 -0.16 1.34 -7.23 -0.36 -4.48 120.40 113.70 1s6f s VAL 31 Ca 0.64 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1s6f s VAL 31 Cb -0.35 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1s6f s VAL 31 CO 0.30 -0.36 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.11 1s6f s SER 32 N -3.60 4.51 -0.12 4.85 0.15 -0.76 -2.16 113.70 116.57 1s6f s SER 32 Ca 0.31 -0.22 -0.18 0.00 0.70 0.00 0.00 55.95 56.56 1s6f s SER 32 Cb -0.05 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1s6f s SER 32 CO 0.18 0.15 0.48 -0.76 1.20 0.00 0.00 173.24 174.48 1s6f s LEU 33 N 0.49 4.27 -0.02 3.45 1.43 0.17 -0.47 118.68 128.00 1s6f s LEU 33 Ca -0.05 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1s6f s LEU 33 Cb -0.15 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1s6f s LEU 33 CO 0.03 -0.01 -0.11 0.21 0.23 0.00 0.00 176.35 176.70 1s6f s ASN 34 N 0.65 1.39 -0.04 2.29 3.84 -0.03 -1.47 114.94 121.57 1s6f s ASN 34 Ca 0.26 -0.22 0.17 0.00 0.21 0.00 0.00 52.86 53.28 1s6f s ASN 34 Cb -0.15 -0.27 0.31 0.00 -0.55 0.00 0.00 41.25 40.59 1s6f s ASN 34 CO 0.10 0.11 1.13 -1.54 -2.79 0.00 0.00 177.10 174.12 1s6f n SER 37 N 3.03 0.94 0.00 -4.21 3.41 -1.26 -1.51 113.62 114.03 1s6f n SER 37 Ca -0.16 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1s6f n SER 37 Cb 0.55 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1s6f n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6f n GLY 38 N 0.01 2.41 3.45 5.00 0.00 -1.26 -5.06 105.19 109.74 1s6f n GLY 38 Ca 0.07 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1s6f n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6f s SER 39 N -0.25 -0.05 0.24 1.61 1.04 -1.26 -5.14 113.70 109.89 1s6f s SER 39 Ca 0.00 -0.87 -0.31 0.00 0.48 0.00 0.00 55.95 55.24 1s6f s SER 39 Cb 0.00 0.51 -0.13 0.00 0.10 0.00 0.00 66.02 66.50 1s6f s SER 39 CO 0.00 -1.01 1.39 1.57 0.98 0.00 0.00 173.24 176.17 1s6f n HIS 40 N -0.30 2.11 0.00 5.02 -0.00 -1.26 -4.33 115.22 116.46 1s6f n HIS 40 Ca -0.05 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.58 1s6f n HIS 40 Cb 0.63 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.05 1s6f n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s6f n PHE 41 N 1.85 0.00 -3.59 1.57 -1.74 -0.54 -4.94 117.46 110.06 1s6f n PHE 41 Ca 0.12 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.91 1s6f n PHE 41 Cb 0.31 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.29 1s6f n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s6f s GLY 43 N -2.80 1.90 0.30 0.00 0.00 0.04 -0.66 107.32 106.10 1s6f s GLY 43 Ca 0.05 -1.81 -0.19 0.00 0.00 0.00 0.00 44.72 42.77 1s6f s GLY 43 CO -0.05 -1.56 0.83 -0.32 0.00 0.00 0.00 173.10 172.00 1s6f s GLY 44 N -4.43 0.12 -0.09 0.20 0.00 -0.92 -3.64 107.32 98.57 1s6f s GLY 44 Ca 0.56 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1s6f s GLY 44 CO 0.34 0.18 -0.11 -0.56 0.00 0.00 0.00 173.10 172.96 1s6f s SER 45 N -3.06 2.03 -0.18 1.64 0.01 -0.25 -1.22 113.70 112.67 1s6f s SER 45 Ca 0.15 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1s6f s SER 45 Cb -0.05 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 1s6f s SER 45 CO 0.08 -0.03 1.55 -0.22 0.41 0.00 0.00 173.24 175.03 1s6f s LEU 46 N 1.15 4.03 0.00 2.44 2.96 -0.04 -0.67 118.68 128.55 1s6f s LEU 46 Ca -0.05 1.74 0.06 0.00 -0.22 0.00 0.00 54.13 55.65 1s6f s LEU 46 Cb -0.14 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1s6f s LEU 46 CO -0.02 -1.10 0.32 2.30 -1.32 0.00 0.00 176.35 176.52 1s6f n ILE 47 N 6.04 0.00 -3.57 6.68 -5.35 -0.58 -1.22 119.36 121.36 1s6f n ILE 47 Ca 0.17 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 62.15 1s6f n ILE 47 Cb 0.45 1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 1s6f n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s6f s ASN 48 N -1.34 -0.34 0.62 7.28 3.84 -1.12 -4.68 114.94 119.20 1s6f s ASN 48 Ca 0.03 -0.21 0.36 0.00 0.21 0.00 0.00 52.86 53.24 1s6f s ASN 48 Cb 0.04 0.51 2.06 0.00 -0.55 0.00 0.00 41.25 43.31 1s6f s ASN 48 CO 0.20 -0.89 2.30 0.77 -2.79 0.00 0.00 177.10 176.69 1s6f h SER 49 N 2.26 0.00 -0.01 -4.21 4.64 -1.96 -1.84 113.55 112.43 1s6f h SER 49 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1s6f h SER 49 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1s6f h SER 49 CO 0.44 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 176.05 1s6f n GLN 50 N -3.55 1.70 -4.13 4.77 6.02 -1.26 -0.59 117.38 120.34 1s6f n GLN 50 Ca -0.03 -0.77 -0.16 0.00 -0.01 0.00 0.00 57.00 56.04 1s6f n GLN 50 Cb 0.08 -1.27 -0.15 0.00 1.02 0.00 0.00 30.24 29.93 1s6f n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s6f s TRP 51 N -1.90 0.45 -0.10 1.08 0.52 -0.69 -0.98 118.94 117.32 1s6f s TRP 51 Ca 0.13 -0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.17 1s6f s TRP 51 Cb 0.13 -0.32 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 1s6f s TRP 51 CO 0.41 -0.03 -0.10 0.08 0.02 0.00 0.00 176.95 177.33 1s6f s VAL 52 N 0.03 3.35 -0.13 4.03 1.01 -0.45 -1.53 120.40 126.72 1s6f s VAL 52 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1s6f s VAL 52 Cb -0.04 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1s6f s VAL 52 CO -0.00 0.55 0.08 0.54 0.00 0.00 0.00 175.10 176.28 1s6f s VAL 53 N -0.21 5.02 0.00 2.92 0.11 0.15 -0.76 120.40 127.63 1s6f s VAL 53 Ca 0.01 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1s6f s VAL 53 Cb -0.13 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1s6f s VAL 53 CO 0.03 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.13 1s6f n SER 54 N 2.49 0.00 -4.73 3.54 2.88 -0.19 -1.09 113.62 116.52 1s6f n SER 54 Ca -0.19 -0.99 -0.38 0.00 -1.33 0.00 0.00 58.87 55.99 1s6f n SER 54 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1s6f n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6f s ALA 55 N -1.66 3.47 0.49 -1.46 0.00 -1.26 -1.17 121.76 120.17 1s6f s ALA 55 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 51.96 51.98 1s6f s ALA 55 Cb 0.00 -2.68 1.16 0.00 0.00 0.00 0.00 23.12 21.60 1s6f s ALA 55 CO 0.00 0.04 2.10 0.00 0.00 0.00 0.00 175.76 177.90 1s6f h ALA 56 N 6.48 1.98 0.00 0.00 0.00 -1.68 -0.80 119.26 125.23 1s6f h ALA 56 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1s6f h ALA 56 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1s6f h ALA 56 CO 0.74 -0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.60 1s6f n HIS 57 N -4.50 0.39 1.71 0.00 1.44 -1.26 -1.35 115.22 111.65 1s6f n HIS 57 Ca 0.01 0.18 0.15 0.00 -2.01 0.00 0.00 57.72 56.04 1s6f n HIS 57 Cb 0.15 -0.78 0.78 0.00 0.12 0.00 0.00 29.99 30.25 1s6f n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s6f n TYR 59 N -0.81 1.92 -4.10 0.00 9.36 -0.46 -5.02 117.16 118.05 1s6f n TYR 59 Ca 0.20 0.47 -0.09 0.00 3.32 0.00 0.00 57.90 61.80 1s6f n TYR 59 Cb 0.21 -2.43 -0.10 0.00 -0.63 0.00 0.00 39.34 36.39 1s6f n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s6f s LYS 60 N 0.07 0.64 0.44 2.98 1.02 -1.26 -5.07 119.74 118.56 1s6f s LYS 60 Ca 0.74 -1.12 0.24 0.00 0.02 0.00 0.00 55.97 55.86 1s6f s LYS 60 Cb -0.74 -0.01 0.78 0.00 -0.52 0.00 0.00 37.83 37.33 1s6f s LYS 60 CO 0.47 -0.05 1.76 0.66 -0.92 0.00 0.00 175.35 177.27 1s6f h SER 61 N 3.45 0.00 -3.82 2.83 4.64 -2.00 -3.41 113.55 115.24 1s6f h SER 61 Ca -0.34 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.49 1s6f h SER 61 Cb 1.17 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.94 1s6f h SER 61 CO 0.59 0.18 -0.81 -0.13 -0.87 0.00 0.00 176.83 175.80 1s6f s ARG 62 N -3.47 1.31 -0.09 4.77 0.52 -1.26 -4.99 118.95 115.73 1s6f s ARG 62 Ca 0.02 -0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 54.76 1s6f s ARG 62 Cb 0.09 -1.17 0.04 0.00 0.52 0.00 0.00 34.95 34.42 1s6f s ARG 62 CO 0.64 0.15 0.22 0.42 0.02 0.00 0.00 175.30 176.76 1s6f s ILE 63 N 0.18 -0.03 -0.19 1.52 1.01 -1.26 -4.85 121.20 117.57 1s6f s ILE 63 Ca -0.04 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1s6f s ILE 63 Cb -0.10 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1s6f s ILE 63 CO 0.01 0.05 0.24 -1.58 0.00 0.00 0.00 174.94 173.66 1s6f s GLN 64 N 1.02 4.19 -0.12 2.79 0.74 -0.57 -0.77 119.66 126.94 1s6f s GLN 64 Ca -0.07 -0.05 -0.17 0.00 0.05 0.00 0.00 55.36 55.12 1s6f s GLN 64 Cb -0.09 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1s6f s GLN 64 CO -0.06 0.18 0.43 0.08 -0.55 0.00 0.00 175.29 175.37 1s6f s VAL 65 N 0.69 5.20 -0.32 1.34 1.01 0.11 -0.85 120.40 127.59 1s6f s VAL 65 Ca 0.13 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1s6f s VAL 65 Cb -0.13 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1s6f s VAL 65 CO 0.03 0.36 0.03 -0.13 0.00 0.00 0.00 175.10 175.38 1s6f s ARG 66 N 0.47 2.36 0.32 2.72 0.52 0.38 -0.97 118.95 124.76 1s6f s ARG 66 Ca 0.24 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 1s6f s ARG 66 Cb -0.15 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1s6f s ARG 66 CO 0.09 -0.68 0.46 -0.51 0.02 0.00 0.00 175.30 174.68 1s6f s LEU 67 N 1.24 4.06 -1.85 2.53 1.02 0.06 -1.83 118.68 123.91 1s6f s LEU 67 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1s6f s LEU 67 Cb -0.20 -2.87 0.00 0.00 0.02 0.00 0.00 46.19 43.14 1s6f s LEU 67 CO -0.01 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1s6f n GLY 69 N -1.62 -0.07 3.83 -3.19 0.00 -1.26 -1.58 105.19 101.31 1s6f n GLY 69 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1s6f n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s6f s GLU 70 N -4.82 4.12 0.12 1.61 0.41 -1.26 -3.66 118.70 115.21 1s6f s GLU 70 Ca 0.00 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 1s6f s GLU 70 Cb 0.00 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1s6f s GLU 70 CO 0.00 0.20 0.00 1.58 -0.49 0.00 0.00 175.26 176.55 1s6f n HIS 71 N -0.10 -0.68 -3.04 1.61 -0.00 -1.26 -4.60 115.22 107.15 1s6f n HIS 71 Ca 0.02 0.12 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 1s6f n HIS 71 Cb 0.53 0.21 -0.06 0.00 -0.00 0.00 0.00 29.99 30.67 1s6f n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s6f s ASN 72 N -5.42 6.29 0.00 0.26 3.84 -1.26 -1.93 114.94 116.72 1s6f s ASN 72 Ca 0.00 -0.56 0.20 0.00 0.21 0.00 0.00 52.86 52.70 1s6f s ASN 72 Cb 0.00 -2.35 0.93 0.00 -0.55 0.00 0.00 41.25 39.29 1s6f s ASN 72 CO 0.00 -0.97 1.62 2.30 -2.79 0.00 0.00 177.10 177.26 1s6f n ILE 73 N 5.88 0.50 0.94 -5.21 -5.35 -0.23 -2.85 119.36 113.04 1s6f n ILE 73 Ca -0.02 0.13 0.10 0.00 -0.27 0.00 0.00 62.75 62.68 1s6f n ILE 73 Cb 0.47 -0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 37.54 1s6f n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s6f n ASP 74 N -1.37 1.71 -3.97 7.28 8.00 -1.26 -4.94 116.55 122.00 1s6f n ASP 74 Ca 0.08 -1.36 -0.18 0.00 0.71 0.00 0.00 54.79 54.04 1s6f n ASP 74 Cb 0.18 0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 41.74 1s6f n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s6f s VAL 75 N -2.48 0.54 -0.34 2.53 1.01 -1.13 -5.11 120.40 115.41 1s6f s VAL 75 Ca 0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1s6f s VAL 75 Cb 0.17 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1s6f s VAL 75 CO 0.61 0.17 1.32 -0.76 0.00 0.00 0.00 175.10 176.43 1s6f s LEU 76 N 0.06 3.78 -0.03 3.92 1.43 -1.26 -4.66 118.68 121.92 1s6f s LEU 76 Ca -0.00 1.04 0.22 0.00 -1.03 0.00 0.00 54.13 54.36 1s6f s LEU 76 Cb -0.05 -3.54 -0.31 0.00 0.03 0.00 0.00 46.19 42.32 1s6f s LEU 76 CO -0.00 -1.19 0.49 -0.62 0.23 0.00 0.00 176.35 175.25 1s6f n GLU 77 N 7.56 0.66 0.00 1.70 1.02 -1.26 -5.01 120.64 125.31 1s6f n GLU 77 Ca 0.15 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1s6f n GLU 77 Cb 0.47 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1s6f n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6f n GLY 78 N 1.30 0.88 0.24 0.62 0.00 -1.26 -4.99 105.19 101.98 1s6f n GLY 78 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1s6f n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6f n ASN 79 N 0.00 1.25 -4.77 1.61 3.02 -1.26 -5.05 115.26 110.06 1s6f n ASN 79 Ca 0.00 -1.13 -0.38 0.00 -0.03 0.00 0.00 54.58 53.05 1s6f n ASN 79 Cb 0.00 0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 39.72 1s6f n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s6f s GLU 80 N -1.68 3.80 -0.11 3.52 8.01 -1.24 -4.40 118.70 126.60 1s6f s GLU 80 Ca 0.09 1.87 0.00 0.00 0.01 0.00 0.00 54.97 56.95 1s6f s GLU 80 Cb 0.10 -2.50 0.02 0.00 -4.31 0.00 0.00 34.13 27.44 1s6f s GLU 80 CO 0.35 -0.54 -0.10 -0.65 0.01 0.00 0.00 175.26 174.33 1s6f s GLN 81 N -2.56 1.67 -0.29 1.61 -0.21 -0.61 -4.97 119.66 114.29 1s6f s GLN 81 Ca 0.62 -0.33 -0.08 0.00 0.02 0.00 0.00 55.36 55.59 1s6f s GLN 81 Cb -0.31 -1.61 -0.00 0.00 1.00 0.00 0.00 33.01 32.08 1s6f s GLN 81 CO 0.38 -0.19 0.10 -0.06 -2.12 0.00 0.00 175.29 173.39 1s6f s PHE 82 N 1.44 3.14 -0.09 0.91 0.40 -1.26 -0.76 117.98 121.76 1s6f s PHE 82 Ca 0.00 -0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1s6f s PHE 82 Cb -0.13 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.15 1s6f s PHE 82 CO -0.06 -0.50 0.01 0.42 0.70 0.00 0.00 175.22 175.80 1s6f s ILE 83 N 1.56 0.35 0.45 0.64 1.01 -0.14 -4.98 121.20 120.08 1s6f s ILE 83 Ca 0.04 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.49 1s6f s ILE 83 Cb -0.17 -0.58 -0.07 0.00 0.01 0.00 0.00 42.46 41.65 1s6f s ILE 83 CO 0.04 0.18 1.27 0.20 0.00 0.00 0.00 174.94 176.62 1s6f s ASN 84 N 1.97 6.06 0.20 3.58 0.01 -1.26 -0.71 114.94 124.79 1s6f s ASN 84 Ca 0.04 2.56 -0.30 0.00 -0.71 0.00 0.00 52.86 54.45 1s6f s ASN 84 Cb -0.13 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 38.81 1s6f s ASN 84 CO -0.06 -1.01 1.38 0.00 -1.51 0.00 0.00 177.10 175.90 1s6f s ALA 85 N -1.36 3.59 -0.15 0.60 0.00 0.05 -1.12 121.76 123.36 1s6f s ALA 85 Ca 0.62 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.89 1s6f s ALA 85 Cb -0.35 -3.52 -0.23 0.00 0.00 0.00 0.00 23.12 19.01 1s6f s ALA 85 CO 0.44 -0.63 0.25 0.00 0.00 0.00 0.00 175.76 175.82 1s6f n ALA 86 N 2.80 1.42 -2.97 0.00 0.00 0.39 -4.74 120.51 117.42 1s6f n ALA 86 Ca 0.08 -1.04 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 1s6f n ALA 86 Cb 0.42 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 1s6f n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s6f s LYS 87 N -2.54 0.07 -0.19 0.00 1.02 -1.07 -4.99 119.74 112.04 1s6f s LYS 87 Ca -0.13 0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 1s6f s LYS 87 Cb 0.07 0.03 0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1s6f s LYS 87 CO 0.79 -0.01 -0.01 0.42 -0.92 0.00 0.00 175.35 175.62 1s6f s ILE 88 N 0.08 0.91 -0.26 2.17 1.01 -1.26 -0.37 121.20 123.48 1s6f s ILE 88 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1s6f s ILE 88 Cb -0.01 -1.28 0.07 0.00 0.01 0.00 0.00 42.46 41.25 1s6f s ILE 88 CO -0.00 -0.09 -0.06 -0.63 0.00 0.00 0.00 174.94 174.16 1s6f s ILE 89 N 1.69 1.88 0.42 2.92 1.01 -0.00 -4.99 121.20 124.13 1s6f s ILE 89 Ca -0.02 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 58.85 1s6f s ILE 89 Cb -0.17 -2.12 -0.10 0.00 0.01 0.00 0.00 42.46 40.07 1s6f s ILE 89 CO -0.07 -0.16 0.96 0.42 0.00 0.00 0.00 174.94 176.09 1s6f s THR 90 N 1.21 4.27 0.27 2.92 -4.23 -1.26 -0.89 115.64 117.93 1s6f s THR 90 Ca -0.04 1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 61.67 1s6f s THR 90 Cb -0.19 -3.66 -0.12 0.00 1.34 0.00 0.00 72.50 69.86 1s6f s THR 90 CO -0.07 -0.22 1.48 1.57 -0.54 0.00 0.00 174.62 176.85 1s6f n HIS 91 N -0.44 2.49 0.29 3.99 -0.00 -0.62 -4.87 115.22 116.07 1s6f n HIS 91 Ca 0.06 0.36 0.16 0.00 0.46 0.00 0.00 57.72 58.77 1s6f n HIS 91 Cb 0.53 -2.52 0.88 0.00 -0.12 0.00 0.00 29.99 28.76 1s6f n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s6f h PRO 92 N 4.30 0.00 -0.43 1.57 0.13 -1.94 -2.09 132.00 133.55 1s6f h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1s6f h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s6f h PRO 92 CO 0.76 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1s6f n ASN 93 N -3.44 3.98 -4.67 1.44 5.03 -1.26 -4.98 115.26 111.36 1s6f n ASN 93 Ca -0.02 -2.53 -0.50 0.00 0.87 0.00 0.00 54.58 52.40 1s6f n ASN 93 Cb 0.18 -0.47 -0.05 0.00 -1.02 0.00 0.00 39.78 38.42 1s6f n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1s6f n PHE 94 N 0.37 2.13 -3.62 3.10 7.35 -0.79 -4.62 117.46 121.39 1s6f n PHE 94 Ca 0.20 0.28 -0.40 0.00 -0.76 0.00 0.00 57.45 56.77 1s6f n PHE 94 Cb 0.77 -2.54 -0.11 0.00 0.35 0.00 0.00 39.48 37.95 1s6f n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s6f s ASN 95 N 2.41 5.67 0.63 -2.13 3.84 -0.50 -4.98 114.94 119.88 1s6f s ASN 95 Ca 0.88 -1.08 0.42 0.00 0.21 0.00 0.00 52.86 53.29 1s6f s ASN 95 Cb -0.79 -2.00 2.20 0.00 -0.55 0.00 0.00 41.25 40.11 1s6f s ASN 95 CO 0.49 -0.40 2.27 1.23 -2.79 0.00 0.00 177.10 177.90 1s6f h GLY 96 N 8.41 0.00 0.00 1.21 0.00 -1.93 0.73 103.07 111.49 1s6f h GLY 96 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1s6f h GLY 96 CO 0.67 0.00 -0.56 -2.01 0.00 0.00 0.00 176.54 174.65 1s6f n ASN 97 N -3.02 1.75 0.19 0.19 5.15 -1.26 -4.48 115.26 113.78 1s6f n ASN 97 Ca -0.02 0.58 0.13 0.00 -0.60 0.00 0.00 54.58 54.66 1s6f n ASN 97 Cb 0.10 -0.84 0.32 0.00 -0.53 0.00 0.00 39.78 38.84 1s6f n ASN 97 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1s6f h THR 98 N -0.96 0.00 -0.96 -0.44 1.35 -2.00 -3.47 112.91 106.44 1s6f h THR 98 Ca 0.00 -0.75 -0.35 0.00 -0.55 0.00 0.00 66.41 64.77 1s6f h THR 98 Cb 0.56 1.73 -0.13 0.00 -1.73 0.00 0.00 68.15 68.58 1s6f h THR 98 CO 0.00 0.00 -0.33 0.18 -0.25 0.00 0.00 175.52 175.12 1s6f n LEU 99 N -2.83 -1.28 -4.77 3.87 4.77 0.25 -5.01 117.00 111.99 1s6f n LEU 99 Ca 0.04 0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 56.00 1s6f n LEU 99 Cb 0.45 -2.43 0.01 0.00 -2.33 0.00 0.00 43.42 39.13 1s6f n LEU 99 CO 0.31 -0.82 1.06 -0.62 -1.33 0.00 0.00 177.39 175.99 1s6f s ASP 100 N -2.77 6.04 -1.28 -1.43 2.15 -1.23 -2.86 116.67 115.29 1s6f s ASP 100 Ca 0.00 2.89 -0.03 0.00 0.43 0.00 0.00 52.55 55.84 1s6f s ASP 100 Cb 0.00 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1s6f s ASP 100 CO 0.00 -1.06 1.01 0.59 -0.17 0.00 0.00 175.17 175.53 1s6f n ASN 101 N -0.02 -3.18 -4.26 -0.34 3.02 -1.26 -1.41 115.26 107.80 1s6f n ASN 101 Ca 0.04 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.53 1s6f n ASN 101 Cb 0.42 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1s6f n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s6f n ASP 102 N -3.07 4.58 -3.80 6.41 2.03 -1.13 -4.21 116.55 117.35 1s6f n ASP 102 Ca -0.20 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.09 1s6f n ASP 102 Cb 0.63 -1.71 -0.12 0.00 -0.72 0.00 0.00 41.12 39.21 1s6f n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s6f s ILE 103 N 3.67 -0.00 0.04 5.18 2.07 -1.26 -3.80 121.20 127.10 1s6f s ILE 103 Ca 0.51 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.68 1s6f s ILE 103 Cb 0.07 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 1s6f s ILE 103 CO 0.02 0.00 0.13 0.00 -1.91 0.00 0.00 174.94 173.18 1s6f s MET 104 N 0.13 0.64 -0.06 3.50 0.23 -0.32 -1.58 119.30 121.84 1s6f s MET 104 Ca -0.00 -0.75 0.04 0.00 -1.03 0.00 0.00 55.69 53.94 1s6f s MET 104 Cb -0.02 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 1s6f s MET 104 CO 0.00 -0.17 -0.18 -0.51 -2.03 0.00 0.00 175.02 172.13 1s6f s LEU 105 N -2.21 2.52 -0.19 0.18 1.43 -0.07 -1.02 118.68 119.32 1s6f s LEU 105 Ca -0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1s6f s LEU 105 Cb -0.00 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1s6f s LEU 105 CO -0.05 0.29 -0.17 -0.63 0.23 0.00 0.00 176.35 176.02 1s6f s ILE 106 N -0.43 2.28 -0.15 -0.59 1.01 0.06 -0.82 121.20 122.57 1s6f s ILE 106 Ca 0.05 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 1s6f s ILE 106 Cb -0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1s6f s ILE 106 CO 0.02 0.50 0.48 -0.75 0.00 0.00 0.00 174.94 175.19 1s6f s LYS 107 N 1.32 4.29 0.32 2.79 2.20 0.51 -1.34 119.74 129.82 1s6f s LYS 107 Ca 0.05 0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 55.79 1s6f s LYS 107 Cb -0.13 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1s6f s LYS 107 CO -0.11 0.06 1.09 -0.51 -0.36 0.00 0.00 175.35 175.52 1s6f s LEU 108 N 0.94 4.41 0.52 5.43 1.43 -0.15 -0.46 118.68 130.80 1s6f s LEU 108 Ca 0.25 2.21 0.30 0.00 -1.03 0.00 0.00 54.13 55.85 1s6f s LEU 108 Cb -0.15 -3.82 1.40 0.00 0.03 0.00 0.00 46.19 43.65 1s6f s LEU 108 CO 0.10 -0.28 2.02 0.77 0.23 0.00 0.00 176.35 179.19 1s6f h SER 109 N 3.34 0.00 -5.10 2.29 4.64 -1.41 -3.42 113.55 113.89 1s6f h SER 109 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1s6f h SER 109 Cb 1.21 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.12 1s6f h SER 109 CO 0.65 0.11 -0.65 -0.94 -0.87 0.00 0.00 176.83 175.14 1s6f s SER 110 N -5.97 0.31 0.37 4.97 1.04 -1.26 -5.00 113.70 108.17 1s6f s SER 110 Ca -0.01 -0.68 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 1s6f s SER 110 Cb 0.12 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 1s6f s SER 110 CO 0.57 -0.46 1.26 -2.84 0.98 0.00 0.00 173.24 172.75 1s6f s PRO 111 N -2.61 4.15 0.35 4.02 0.02 -1.26 -4.90 135.00 134.76 1s6f s PRO 111 Ca -0.05 2.07 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 1s6f s PRO 111 Cb -0.01 -2.86 -0.10 0.00 0.02 0.00 0.00 34.50 31.55 1s6f s PRO 111 CO -0.05 -0.31 1.25 0.00 -0.33 0.00 0.00 177.00 177.56 1s6f s ALA 112 N -1.26 3.39 -0.11 -1.55 0.00 0.24 -4.99 121.76 117.48 1s6f s ALA 112 Ca 0.54 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 1s6f s ALA 112 Cb -0.36 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1s6f s ALA 112 CO 0.47 -0.58 0.74 -0.08 0.00 0.00 0.00 175.76 176.30 1s6f s THR 113 N -1.21 4.99 -0.17 0.00 -1.32 -1.26 -4.83 115.64 111.84 1s6f s THR 113 Ca 0.51 1.48 -0.18 0.00 -1.21 0.00 0.00 61.69 62.29 1s6f s THR 113 Cb -0.37 -4.06 -0.04 0.00 -1.51 0.00 0.00 72.50 66.52 1s6f s THR 113 CO 0.48 0.16 0.50 -0.76 -2.21 0.00 0.00 174.62 172.80 1s6f s LEU 114 N 1.36 4.19 0.00 9.08 1.43 -1.26 -4.75 118.68 128.74 1s6f s LEU 114 Ca 0.37 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1s6f s LEU 114 Cb -0.17 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1s6f s LEU 114 CO 0.16 -0.11 0.00 -0.46 0.23 0.00 0.00 176.35 176.16 1s6f n ASN 115 N 4.38 0.00 0.24 2.29 0.23 -0.09 -4.98 115.26 117.32 1s6f n ASN 115 Ca -0.06 -0.18 0.09 0.00 -0.53 0.00 0.00 54.58 53.90 1s6f n ASN 115 Cb 0.51 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.80 1s6f n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s6f h SER 116 N 0.00 0.00 0.00 0.53 4.64 -1.99 -3.15 113.55 113.58 1s6f h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s6f h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s6f h SER 116 CO 0.00 0.19 -1.17 0.54 -0.87 0.00 0.00 176.83 175.51 1s6f n ARG 117 N -3.88 0.80 -3.73 4.77 5.12 -1.26 -4.79 116.66 113.69 1s6f n ARG 117 Ca -0.02 -0.05 -0.28 0.00 -1.93 0.00 0.00 57.85 55.57 1s6f n ARG 117 Cb 0.28 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 30.02 1s6f n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s6f s VAL 118 N -2.92 0.57 0.04 1.55 1.01 -1.19 -4.18 120.40 115.28 1s6f s VAL 118 Ca 0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1s6f s VAL 118 Cb 0.13 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1s6f s VAL 118 CO 0.77 -0.30 0.08 0.00 0.00 0.00 0.00 175.10 175.64 1s6f s ALA 119 N 1.82 -0.00 0.57 5.51 0.00 -0.96 -0.92 121.76 127.79 1s6f s ALA 119 Ca 0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 1s6f s ALA 119 Cb -0.17 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1s6f s ALA 119 CO -0.12 -0.32 1.00 0.95 0.00 0.00 0.00 175.76 177.27 1s6f s THR 120 N -2.69 4.66 -0.01 0.00 -4.23 -1.26 -2.87 115.64 109.23 1s6f s THR 120 Ca -0.04 0.95 0.06 0.00 -1.18 0.00 0.00 61.69 61.48 1s6f s THR 120 Cb -0.01 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1s6f s THR 120 CO -0.05 -0.97 -0.20 0.54 -0.54 0.00 0.00 174.62 173.41 1s6f s VAL 121 N -2.95 2.61 0.58 2.29 0.11 -0.36 -4.86 120.40 117.82 1s6f s VAL 121 Ca 0.56 -1.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.42 1s6f s VAL 121 Cb -0.11 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1s6f s VAL 121 CO 0.45 0.51 1.20 -0.44 -3.33 0.00 0.00 175.10 173.50 1s6f s SER 122 N -0.89 5.30 0.62 3.54 0.01 -1.23 -4.57 113.70 116.47 1s6f s SER 122 Ca 0.12 2.37 -0.11 0.00 1.31 0.00 0.00 55.95 59.63 1s6f s SER 122 Cb -0.10 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1s6f s SER 122 CO 0.01 -1.52 1.03 -0.76 0.41 0.00 0.00 173.24 172.42 1s6f s LEU 123 N -3.98 3.22 0.29 2.44 1.43 -1.26 -0.75 118.68 120.07 1s6f s LEU 123 Ca 0.76 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 1s6f s LEU 123 Cb -0.30 -4.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.37 1s6f s LEU 123 CO 0.32 -0.89 1.55 -2.84 0.23 0.00 0.00 176.35 174.72 1s6f s PRO 124 N -5.18 4.15 0.16 1.29 0.02 -1.26 -4.72 135.00 129.46 1s6f s PRO 124 Ca 0.55 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.98 1s6f s PRO 124 Cb -0.11 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1s6f s PRO 124 CO 0.54 -0.57 1.56 -0.09 -0.33 0.00 0.00 177.00 178.11 1s6f h ARG 125 N 4.70 1.00 -3.63 5.54 2.43 -1.96 -3.48 114.38 118.98 1s6f h ARG 125 Ca -0.47 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.23 1s6f h ARG 125 Cb 1.22 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1s6f h ARG 125 CO 0.77 1.09 -0.12 0.45 -1.51 0.00 0.00 179.97 180.65 1s6f s SER 127 N -6.67 -0.10 0.36 -3.80 0.15 -1.26 -5.15 113.70 97.22 1s6f s SER 127 Ca -0.12 -0.87 -0.26 0.00 0.70 0.00 0.00 55.95 55.41 1s6f s SER 127 Cb 0.12 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1s6f s SER 127 CO 0.87 -1.11 1.08 0.00 1.20 0.00 0.00 173.24 175.28 1s6f s ALA 129 N -1.46 3.47 0.70 0.00 0.00 -1.26 -5.01 121.76 118.20 1s6f s ALA 129 Ca 0.53 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.32 1s6f s ALA 129 Cb -0.26 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1s6f s ALA 129 CO 0.33 -0.47 1.23 0.00 0.00 0.00 0.00 175.76 176.85 1s6f s ALA 130 N 0.49 2.19 0.31 0.00 0.00 -1.26 -4.96 121.76 118.54 1s6f s ALA 130 Ca 0.57 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1s6f s ALA 130 Cb -0.33 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.17 1s6f s ALA 130 CO 0.34 -1.78 1.28 0.00 0.00 0.00 0.00 175.76 175.60 1s6f n ALA 132 N -2.47 1.09 -0.24 0.00 0.00 -1.26 -2.06 120.51 115.56 1s6f n ALA 132 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1s6f n ALA 132 Cb 0.50 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1s6f n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6f n GLY 133 N 1.13 1.52 3.72 0.00 0.00 0.80 -4.97 105.19 107.38 1s6f n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1s6f n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s6f n THR 134 N -2.00 0.22 -2.76 2.61 -1.04 -0.88 -4.66 114.28 105.78 1s6f n THR 134 Ca 0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 1s6f n THR 134 Cb 0.00 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 66.55 1s6f n THR 134 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6f s GLU 135 N 0.78 4.61 0.34 -2.82 0.41 -1.26 -1.11 118.70 119.64 1s6f s GLU 135 Ca 0.73 1.37 0.04 0.00 -0.41 0.00 0.00 54.97 56.70 1s6f s GLU 135 Cb -0.52 -3.41 -0.06 0.00 -1.78 0.00 0.00 34.13 28.35 1s6f s GLU 135 CO 0.36 0.10 0.06 0.00 -0.49 0.00 0.00 175.26 175.29 1s6f s LEU 137 N -3.52 1.83 -0.09 0.00 2.96 0.61 -1.11 118.68 119.36 1s6f s LEU 137 Ca 0.35 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1s6f s LEU 137 Cb 0.08 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1s6f s LEU 137 CO 0.15 -0.01 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 1s6f s ILE 138 N 1.25 3.71 0.05 6.68 1.01 -0.08 -1.38 121.20 132.45 1s6f s ILE 138 Ca 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1s6f s ILE 138 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1s6f s ILE 138 CO -0.08 0.57 0.07 -0.94 0.00 0.00 0.00 174.94 174.56 1s6f s SER 139 N -0.49 0.28 0.00 3.58 1.04 -1.17 -0.70 113.70 116.24 1s6f s SER 139 Ca 0.07 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1s6f s SER 139 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1s6f s SER 139 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1s6f n GLY 140 N 0.37 -2.17 1.51 7.32 0.00 -0.69 -4.25 105.19 107.29 1s6f n GLY 140 Ca -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 1s6f n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s6f n TRP 141 N 0.79 1.75 -1.62 1.61 8.01 -1.26 -2.13 117.44 124.59 1s6f n TRP 141 Ca 0.00 -1.22 -0.23 0.00 -1.31 0.00 0.00 57.50 54.74 1s6f n TRP 141 Cb 0.00 -0.55 0.16 0.00 -2.01 0.00 0.00 31.31 28.91 1s6f n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s6f n GLY 142 N -0.51 -1.56 3.66 6.99 0.00 -1.25 -4.23 105.19 108.29 1s6f n GLY 142 Ca 0.34 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.24 1s6f n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s6f n ASN 143 N -3.74 2.44 -0.66 1.61 5.15 0.31 -3.34 115.26 117.03 1s6f n ASN 143 Ca 0.13 1.16 0.10 0.00 -0.60 0.00 0.00 54.58 55.37 1s6f n ASN 143 Cb 0.45 -1.40 0.04 0.00 -0.53 0.00 0.00 39.78 38.34 1s6f n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s6f n THR 144 N 1.39 0.00 -4.50 -0.44 -2.24 -0.34 -1.08 114.28 107.07 1s6f n THR 144 Ca 0.10 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 1s6f n THR 144 Cb 0.32 1.34 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 1s6f n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s6f s LYS 145 N -2.05 3.09 0.21 -0.78 3.01 -1.26 -4.32 119.74 117.64 1s6f s LYS 145 Ca 0.21 -0.51 0.21 0.00 -1.01 0.00 0.00 55.97 54.87 1s6f s LYS 145 Cb 0.17 -2.74 0.02 0.00 -1.01 0.00 0.00 37.83 34.27 1s6f s LYS 145 CO 0.40 0.54 1.09 0.66 0.51 0.00 0.00 175.35 178.55 1s6f h SER 146 N 5.67 0.00 -3.79 2.83 4.64 -1.93 -3.43 113.55 117.54 1s6f h SER 146 Ca -0.44 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.21 1s6f h SER 146 Cb 1.18 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.92 1s6f h SER 146 CO 0.56 0.14 -0.74 -0.55 -0.87 0.00 0.00 176.83 175.37 1s6f s SER 147 N -5.61 4.70 0.00 4.97 0.15 -1.26 -5.00 113.70 111.66 1s6f s SER 147 Ca 0.00 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1s6f s SER 147 Cb 0.09 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1s6f s SER 147 CO 0.78 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1s6f n GLY 148 N 4.50 -0.99 3.01 9.45 0.00 -1.26 -4.96 105.19 114.93 1s6f n GLY 148 Ca -0.11 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1s6f n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6f s SER 149 N -4.00 -0.09 -0.13 1.61 1.04 -1.26 -4.68 113.70 106.19 1s6f s SER 149 Ca 0.00 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.53 1s6f s SER 149 Cb 0.00 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1s6f s SER 149 CO 0.00 -0.09 0.27 -0.55 0.98 0.00 0.00 173.24 173.85 1s6f s SER 150 N -0.17 0.14 -0.25 7.02 0.15 -1.26 -4.95 113.70 114.37 1s6f s SER 150 Ca -0.02 0.60 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 1s6f s SER 150 Cb -0.02 0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1s6f s SER 150 CO 0.00 -0.22 0.16 -0.31 1.20 0.00 0.00 173.24 174.08 1s6f s TYR 151 N 2.08 3.26 0.42 3.44 1.51 -1.26 -1.20 117.35 125.60 1s6f s TYR 151 Ca -0.02 0.14 -0.21 0.00 -1.01 0.00 0.00 57.07 55.97 1s6f s TYR 151 Cb -0.11 -2.31 -0.11 0.00 -0.11 0.00 0.00 41.96 39.32 1s6f s TYR 151 CO -0.09 -0.05 0.95 -1.25 -1.11 0.00 0.00 175.55 174.01 1s6f s PRO 152 N 1.35 4.25 0.13 -1.71 0.04 -1.26 -4.98 135.00 132.82 1s6f s PRO 152 Ca 0.07 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 1s6f s PRO 152 Cb -0.15 -2.23 -0.11 0.00 0.04 0.00 0.00 34.50 32.05 1s6f s PRO 152 CO 0.07 -0.01 1.29 0.77 0.04 0.00 0.00 177.00 179.16 1s6f h SER 153 N 2.01 0.40 -2.76 6.66 0.02 -1.93 -3.47 113.55 114.48 1s6f h SER 153 Ca -0.49 -0.35 -0.65 0.00 -0.84 0.00 0.00 61.79 59.46 1s6f h SER 153 Cb 1.18 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1s6f h SER 153 CO 0.61 1.18 -0.43 -0.76 -1.14 0.00 0.00 176.83 176.29 1s6f s LEU 154 N -7.47 4.39 0.18 5.07 1.43 -1.26 -1.07 118.68 119.96 1s6f s LEU 154 Ca -0.04 0.52 -0.32 0.00 -1.03 0.00 0.00 54.13 53.26 1s6f s LEU 154 Cb 0.09 -2.34 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 1s6f s LEU 154 CO 0.86 0.34 1.64 -0.22 0.23 0.00 0.00 176.35 179.20 1s6f s LEU 155 N -1.34 4.37 0.08 1.79 2.96 -0.81 -4.86 118.68 120.87 1s6f s LEU 155 Ca 0.21 2.71 0.01 0.00 -0.22 0.00 0.00 54.13 56.84 1s6f s LEU 155 Cb -0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1s6f s LEU 155 CO 0.10 -0.89 0.21 -1.10 -1.32 0.00 0.00 176.35 173.35 1s6f s GLN 156 N 1.26 3.36 0.07 1.98 -1.52 -0.90 -1.08 119.66 122.82 1s6f s GLN 156 Ca 0.72 -0.51 0.04 0.00 -1.95 0.00 0.00 55.36 53.66 1s6f s GLN 156 Cb -0.46 -2.98 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1s6f s GLN 156 CO 0.32 0.59 -0.11 0.00 -0.25 0.00 0.00 175.29 175.83 1s6f s LEU 158 N -1.85 -0.04 -0.06 0.00 2.96 0.12 -1.21 118.68 118.59 1s6f s LEU 158 Ca -0.03 0.78 -0.23 0.00 -0.22 0.00 0.00 54.13 54.44 1s6f s LEU 158 Cb -0.08 1.14 -0.04 0.00 0.50 0.00 0.00 46.19 47.70 1s6f s LEU 158 CO 0.01 -0.19 0.67 -0.54 -1.32 0.00 0.00 176.35 174.97 1s6f s LYS 159 N 1.59 4.42 -0.15 1.98 -0.14 -1.26 -0.90 119.74 125.27 1s6f s LYS 159 Ca -0.08 0.82 -0.22 0.00 -1.36 0.00 0.00 55.97 55.14 1s6f s LYS 159 Cb -0.10 -3.43 0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1s6f s LYS 159 CO -0.11 0.11 0.57 0.00 -0.76 0.00 0.00 175.35 175.16 1s6f s ALA 160 N 0.64 -1.43 0.25 5.17 0.00 -0.27 -4.99 121.76 121.14 1s6f s ALA 160 Ca 0.36 1.40 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 1s6f s ALA 160 Cb -0.18 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.27 1s6f s ALA 160 CO 0.17 -0.30 0.59 -1.25 0.00 0.00 0.00 175.76 174.98 1s6f s PRO 161 N -0.25 3.84 0.17 0.00 0.04 -1.26 -0.49 135.00 137.05 1s6f s PRO 161 Ca -0.04 0.35 -0.32 0.00 0.04 0.00 0.00 61.00 61.04 1s6f s PRO 161 Cb -0.03 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 1s6f s PRO 161 CO 0.03 0.28 1.58 0.08 0.04 0.00 0.00 177.00 179.01 1s6f s VAL 162 N -1.85 2.59 0.30 -0.36 1.01 -0.27 -1.68 120.40 120.13 1s6f s VAL 162 Ca 0.49 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 1s6f s VAL 162 Cb -0.11 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1s6f s VAL 162 CO 0.20 0.03 0.65 -0.76 0.00 0.00 0.00 175.10 175.23 1s6f s LEU 163 N 1.13 4.06 0.53 3.92 1.43 -0.07 -0.14 118.68 129.53 1s6f s LEU 163 Ca 0.70 1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 54.64 1s6f s LEU 163 Cb -0.44 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 1s6f s LEU 163 CO 0.31 -0.19 1.14 -1.54 0.23 0.00 0.00 176.35 176.30 1s6f n SER 164 N -0.53 1.69 0.25 2.29 3.41 -1.26 -4.59 113.62 114.88 1s6f n SER 164 Ca 0.02 0.93 0.09 0.00 -0.26 0.00 0.00 58.87 59.65 1s6f n SER 164 Cb 0.53 -1.46 0.64 0.00 -0.26 0.00 0.00 64.21 63.66 1s6f n SER 164 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s6f h ASP 165 N 1.14 0.00 0.50 4.04 3.04 -1.96 -1.61 116.42 121.57 1s6f h ASP 165 Ca -0.48 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.28 1s6f h ASP 165 Cb 1.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1s6f h ASP 165 CO 0.55 0.13 -0.24 0.77 -2.04 0.00 0.00 179.24 178.41 1s6f h SER 166 N 0.00 -0.57 -0.82 4.15 4.64 -1.99 -1.18 113.55 117.79 1s6f h SER 166 Ca -0.00 -0.06 0.18 0.00 -0.47 0.00 0.00 61.79 61.43 1s6f h SER 166 Cb 0.26 0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 62.39 1s6f h SER 166 CO 0.02 -0.25 0.33 0.28 -0.87 0.00 0.00 176.83 176.34 1s6f h SER 167 N -0.90 0.28 -0.10 4.97 0.02 -1.85 0.18 113.55 116.15 1s6f h SER 167 Ca -0.07 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1s6f h SER 167 Cb 0.60 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1s6f h SER 167 CO 0.11 0.05 0.03 0.00 -1.14 0.00 0.00 176.83 175.88 1s6f h LYS 169 N -0.04 0.18 -0.13 0.00 1.57 -0.80 -2.68 116.57 114.68 1s6f h LYS 169 Ca 0.03 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1s6f h LYS 169 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1s6f h LYS 169 CO -0.00 0.68 -0.37 1.03 -0.57 0.00 0.00 179.45 180.22 1s6f h SER 170 N 0.14 0.28 0.64 0.86 0.87 -0.82 -2.70 113.55 112.82 1s6f h SER 170 Ca -0.00 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1s6f h SER 170 Cb 1.02 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1s6f h SER 170 CO 0.08 0.63 -0.56 0.28 -0.53 0.00 0.00 176.83 176.73 1s6f h SER 171 N 0.23 0.00 -2.05 6.23 0.02 -1.06 -3.37 113.55 113.55 1s6f h SER 171 Ca 0.02 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1s6f h SER 171 Cb 0.77 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.91 1s6f h SER 171 CO 0.06 0.56 -0.98 -1.22 -1.14 0.00 0.00 176.83 174.11 1s6f n TYR 172 N -3.78 0.73 -1.65 3.45 4.02 -1.04 -4.86 117.16 114.03 1s6f n TYR 172 Ca -0.01 -3.73 -0.50 0.00 -0.01 0.00 0.00 57.90 53.65 1s6f n TYR 172 Cb 0.59 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 1s6f n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s6f n PRO 173 N 1.17 1.73 -0.59 -0.72 -0.02 -1.04 -1.63 135.00 133.90 1s6f n PRO 173 Ca 0.24 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1s6f n PRO 173 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1s6f n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s6f n GLY 174 N 3.42 1.80 0.00 -1.23 0.00 -1.26 -4.85 105.19 103.07 1s6f n GLY 174 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1s6f n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s6f n GLN 175 N -2.00 1.34 -3.14 1.61 1.13 -0.65 -4.92 117.38 110.76 1s6f n GLN 175 Ca 0.00 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.56 1s6f n GLN 175 Cb 0.00 -1.23 -0.07 0.00 0.11 0.00 0.00 30.24 29.05 1s6f n GLN 175 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s6f s ILE 176 N -2.63 4.88 0.92 5.09 -1.09 -1.25 -5.05 121.20 122.06 1s6f s ILE 176 Ca -0.01 0.20 -0.15 0.00 -2.23 0.00 0.00 60.65 58.47 1s6f s ILE 176 Cb 0.09 -4.14 0.16 0.00 -1.58 0.00 0.00 42.46 36.99 1s6f s ILE 176 CO 0.53 -0.48 1.28 0.42 -1.23 0.00 0.00 174.94 175.46 1s6f s THR 177 N 2.70 2.00 -1.15 2.92 -4.23 -1.26 -4.94 115.64 111.68 1s6f s THR 177 Ca 0.22 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.81 1s6f s THR 177 Cb -0.15 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.79 1s6f s THR 177 CO 0.17 0.00 1.21 0.61 -0.54 0.00 0.00 174.62 176.08 1s6f n GLY 178 N -3.60 -0.70 1.34 3.99 0.00 -1.26 -2.69 105.19 102.27 1s6f n GLY 178 Ca 0.13 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1s6f n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6f n ASN 179 N -1.43 4.42 -4.04 1.61 3.02 -1.26 -4.92 115.26 112.66 1s6f n ASN 179 Ca 0.03 -2.55 -0.20 0.00 -0.03 0.00 0.00 54.58 51.83 1s6f n ASN 179 Cb 0.08 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 38.57 1s6f n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s6f s MET 180 N -2.02 0.89 0.08 3.52 -1.94 -1.09 -0.98 119.30 117.76 1s6f s MET 180 Ca 0.46 -0.37 0.04 0.00 -1.71 0.00 0.00 55.69 54.11 1s6f s MET 180 Cb 0.31 -0.85 -0.03 0.00 2.01 0.00 0.00 34.83 36.27 1s6f s MET 180 CO 0.19 0.21 -0.12 0.96 -0.01 0.00 0.00 175.02 176.25 1s6f s ILE 181 N -0.18 1.02 -0.11 2.53 -4.36 0.24 -4.81 121.20 115.53 1s6f s ILE 181 Ca 0.03 -1.42 -0.05 0.00 -0.26 0.00 0.00 60.65 58.95 1s6f s ILE 181 Cb -0.05 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1s6f s ILE 181 CO -0.00 -0.36 0.08 0.00 0.24 0.00 0.00 174.94 174.89 1s6f s VAL 183 N -0.97 0.03 -4.04 0.00 1.01 -0.90 -0.90 120.40 114.64 1s6f s VAL 183 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1s6f s VAL 183 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1s6f s VAL 183 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1s6f n GLY 184 N 4.20 0.50 2.76 4.51 0.00 -0.68 -3.52 105.19 112.96 1s6f n GLY 184 Ca -0.27 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 1s6f n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6f s PHE 184 N -4.00 0.77 0.48 1.61 0.40 -1.26 -4.39 117.98 111.60 1s6f s PHE 184 Ca 0.00 -0.40 0.39 0.00 -0.60 0.00 0.00 56.93 56.32 1s6f s PHE 184 Cb 0.00 -0.88 2.01 0.00 0.51 0.00 0.00 43.02 44.66 1s6f s PHE 184 CO 0.00 -0.43 2.23 -0.07 0.70 0.00 0.00 175.22 177.65 1s6f h LEU 185 N 8.30 0.00 -1.48 -0.37 3.38 -1.94 -2.45 115.31 120.75 1s6f h LEU 185 Ca -0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1s6f h LEU 185 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s6f h LEU 185 CO 0.29 0.01 -0.10 1.05 0.09 0.00 0.00 178.44 179.78 1s6f h GLU 186 N 0.00 0.00 0.00 1.13 -0.00 -1.96 0.14 114.58 113.89 1s6f h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1s6f h GLU 186 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1s6f h GLU 186 CO 0.00 0.10 0.00 0.41 -0.00 0.00 0.00 179.01 179.53 1s6f n GLY 187 N -0.09 0.56 1.38 1.06 0.00 -0.92 -4.27 105.19 102.90 1s6f n GLY 187 Ca -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1s6f n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6f n GLY 188 N 0.74 2.66 2.62 -0.02 0.00 -0.13 -4.96 105.19 106.09 1s6f n GLY 188 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1s6f n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6f s LYS 188 N -0.63 0.12 0.20 1.61 1.02 -1.26 -3.62 119.74 117.19 1s6f s LYS 188 Ca 0.00 -0.16 -0.23 0.00 0.02 0.00 0.00 55.97 55.60 1s6f s LYS 188 Cb 0.00 -1.52 0.05 0.00 -0.52 0.00 0.00 37.83 35.83 1s6f s LYS 188 CO 0.00 -0.77 0.81 0.34 -0.92 0.00 0.00 175.35 174.81 1s6f s ASP 189 N 2.17 -0.27 0.87 2.83 2.15 -0.74 -4.23 116.67 119.45 1s6f s ASP 189 Ca 0.05 -0.43 -0.13 0.00 0.43 0.00 0.00 52.55 52.47 1s6f s ASP 189 Cb -0.16 0.60 0.12 0.00 -0.30 0.00 0.00 42.92 43.19 1s6f s ASP 189 CO -0.18 -1.10 1.18 -0.94 -0.17 0.00 0.00 175.17 173.97 1s6f s SER 190 N -2.88 3.90 0.33 -0.34 1.04 -1.26 -0.32 113.70 114.16 1s6f s SER 190 Ca 0.10 0.77 -0.08 0.00 0.48 0.00 0.00 55.95 57.21 1s6f s SER 190 Cb -0.03 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.90 1s6f s SER 190 CO 0.02 -2.29 0.59 0.00 0.98 0.00 0.00 173.24 172.54 1s6f n GLN 192 N -0.48 1.33 0.00 0.00 7.27 -1.26 -1.33 117.38 122.91 1s6f n GLN 192 Ca -0.04 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1s6f n GLN 192 Cb 0.52 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 30.99 1s6f n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s6f n GLY 193 N 3.59 0.54 0.05 1.69 0.00 -1.26 -0.53 105.19 109.28 1s6f n GLY 193 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1s6f n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s6f n ASP 194 N 0.00 0.63 -4.60 1.61 8.00 -0.44 -3.76 116.55 117.99 1s6f n ASP 194 Ca 0.00 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 1s6f n ASP 194 Cb 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1s6f n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s6f n SER 195 N -1.98 1.17 0.00 -2.24 7.64 -1.26 -1.77 113.62 115.18 1s6f n SER 195 Ca 0.04 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1s6f n SER 195 Cb 0.41 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1s6f n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6f n GLY 196 N 1.21 3.11 3.94 0.23 0.00 0.08 -0.78 105.19 112.99 1s6f n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1s6f n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s6f s GLY 197 N -2.06 1.80 0.26 -0.02 0.00 -0.73 -3.41 107.32 103.16 1s6f s GLY 197 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 1s6f s GLY 197 CO 0.00 -0.49 0.76 2.56 0.00 0.00 0.00 173.10 175.93 1s6f s PRO 198 N -5.89 4.24 -0.24 2.90 0.04 -1.26 -1.40 135.00 133.38 1s6f s PRO 198 Ca 0.75 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1s6f s PRO 198 Cb -0.03 -2.76 0.04 0.00 0.04 0.00 0.00 34.50 31.79 1s6f s PRO 198 CO 0.53 0.32 -0.11 0.08 0.04 0.00 0.00 177.00 177.86 1s6f s VAL 199 N -1.64 2.33 -0.13 -0.36 1.01 -0.19 -3.04 120.40 118.38 1s6f s VAL 199 Ca 0.47 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1s6f s VAL 199 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1s6f s VAL 199 CO 0.20 0.13 -0.21 -0.69 0.00 0.00 0.00 175.10 174.53 1s6f s VAL 200 N 1.19 2.20 -0.08 2.92 1.01 -0.48 -0.78 120.40 126.38 1s6f s VAL 200 Ca -0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1s6f s VAL 200 Cb -0.18 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1s6f s VAL 200 CO -0.06 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.54 1s6f n ASN 202 N 4.76 -2.72 -0.14 0.00 3.02 -1.26 -1.55 115.26 117.37 1s6f n ASN 202 Ca -0.14 -0.94 -0.02 0.00 -0.03 0.00 0.00 54.58 53.45 1s6f n ASN 202 Cb 0.50 -3.18 -0.01 0.00 -0.61 0.00 0.00 39.78 36.48 1s6f n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s6f n GLY 203 N -1.64 0.52 3.22 7.41 0.00 -1.26 -5.01 105.19 108.43 1s6f n GLY 203 Ca -0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1s6f n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s6f s GLN 204 N -1.17 1.97 -0.54 1.61 -0.21 -0.60 -3.56 119.66 117.17 1s6f s GLN 204 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 55.36 54.32 1s6f s GLN 204 Cb 0.00 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.23 1s6f s GLN 204 CO 0.00 0.40 1.41 -1.17 -2.12 0.00 0.00 175.29 173.81 1s6f s LEU 209 N -0.31 3.43 -0.06 2.90 2.96 0.07 -1.17 118.68 126.51 1s6f s LEU 209 Ca 0.03 0.35 0.18 0.00 -0.22 0.00 0.00 54.13 54.47 1s6f s LEU 209 Cb -0.10 -3.13 -0.28 0.00 0.50 0.00 0.00 46.19 43.18 1s6f s LEU 209 CO 0.01 -1.66 0.33 0.00 -1.32 0.00 0.00 176.35 173.71 1s6f n GLN 210 N 8.57 0.70 -4.03 1.98 1.13 0.04 -4.05 117.38 121.72 1s6f n GLN 210 Ca 0.13 -0.13 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1s6f n GLN 210 Cb 0.49 -1.45 -0.11 0.00 0.11 0.00 0.00 30.24 29.29 1s6f n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s6f s GLY 211 N -4.40 0.36 -0.09 1.08 0.00 -1.01 -1.95 107.32 101.31 1s6f s GLY 211 Ca -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1s6f s GLY 211 CO 0.77 -0.94 -0.20 -0.42 0.00 0.00 0.00 173.10 172.30 1s6f s ILE 212 N -2.45 1.74 0.03 0.90 1.01 -1.05 -1.03 121.20 120.35 1s6f s ILE 212 Ca -0.06 -0.83 -0.33 0.00 0.00 0.00 0.00 60.65 59.43 1s6f s ILE 212 Cb -0.03 -1.52 -0.12 0.00 0.01 0.00 0.00 42.46 40.80 1s6f s ILE 212 CO -0.04 0.49 1.80 0.52 0.00 0.00 0.00 174.94 177.71 1s6f n VAL 213 N 3.61 0.40 0.01 2.92 0.31 -0.49 -1.06 118.33 124.03 1s6f n VAL 213 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1s6f n VAL 213 Cb 0.53 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1s6f n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s6f n SER 214 N 5.68 0.16 -3.87 4.52 2.88 -1.04 -0.74 113.62 121.20 1s6f n SER 214 Ca 0.20 0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1s6f n SER 214 Cb 0.32 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1s6f n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s6f s TRP 215 N -1.19 -0.06 0.07 0.66 1.48 -0.70 -4.92 118.94 114.28 1s6f s TRP 215 Ca 0.00 -0.38 -0.27 0.00 -1.06 0.00 0.00 56.10 54.39 1s6f s TRP 215 Cb 0.00 0.59 0.08 0.00 -1.16 0.00 0.00 33.47 32.99 1s6f s TRP 215 CO 0.00 -1.19 0.90 0.20 -4.06 0.00 0.00 176.95 172.80 1s6f s GLY 216 N -2.95 -0.38 -0.61 3.67 0.00 -1.26 -0.11 107.32 105.69 1s6f s GLY 216 Ca 0.14 0.62 -0.26 0.00 0.00 0.00 0.00 44.72 45.22 1s6f s GLY 216 CO 0.08 0.19 1.08 -0.47 0.00 0.00 0.00 173.10 173.97 1s6f s TYR 217 N -3.23 2.63 0.00 1.90 5.04 -1.26 -4.80 117.35 117.63 1s6f s TYR 217 Ca 0.08 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1s6f s TYR 217 Cb -0.01 -4.33 0.00 0.00 0.35 0.00 0.00 41.96 37.97 1s6f s TYR 217 CO -0.05 -1.58 0.00 0.41 -1.34 0.00 0.00 175.55 172.99 1s6f n GLY 219 N 5.17 2.01 3.12 8.97 0.00 -1.26 -4.65 105.19 118.55 1s6f n GLY 219 Ca 0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1s6f n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6f n ALA 221 N 2.27 -0.31 -1.75 0.00 0.00 -1.26 -4.86 120.51 114.60 1s6f n ALA 221 Ca -0.17 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1s6f n ALA 221 Cb 0.57 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1s6f n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s6f s GLN 221 N -3.65 3.61 0.26 0.00 -0.21 -1.26 -0.96 119.66 117.44 1s6f s GLN 221 Ca 0.00 1.10 -0.31 0.00 0.02 0.00 0.00 55.36 56.17 1s6f s GLN 221 Cb 0.00 -2.08 -0.12 0.00 1.00 0.00 0.00 33.01 31.81 1s6f s GLN 221 CO 0.00 -0.56 1.54 1.17 -2.12 0.00 0.00 175.29 175.32 1s6f n LYS 222 N -1.80 2.42 -1.90 2.91 4.81 -1.26 -2.40 118.16 120.94 1s6f n LYS 222 Ca 0.08 0.86 -0.18 0.00 -0.87 0.00 0.00 58.31 58.20 1s6f n LYS 222 Cb 0.53 -2.61 -0.05 0.00 0.02 0.00 0.00 35.03 32.93 1s6f n LYS 222 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s6f n ASN 223 N 2.42 -4.88 -3.34 3.14 4.05 0.49 -4.92 115.26 112.23 1s6f n ASN 223 Ca 0.11 0.28 -0.26 0.00 0.45 0.00 0.00 54.58 55.16 1s6f n ASN 223 Cb 0.34 -4.25 -0.08 0.00 1.23 0.00 0.00 39.78 37.02 1s6f n ASN 223 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1s6f n LYS 224 N -2.50 1.54 -1.28 1.20 4.76 -1.01 -4.62 118.16 116.25 1s6f n LYS 224 Ca -0.19 -3.93 -0.30 0.00 -2.87 0.00 0.00 58.31 51.02 1s6f n LYS 224 Cb 0.62 -1.75 0.11 0.00 -1.84 0.00 0.00 35.03 32.16 1s6f n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s6f s PRO 225 N -1.70 1.89 0.35 1.97 0.04 -1.26 -4.32 135.00 131.97 1s6f s PRO 225 Ca 0.37 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1s6f s PRO 225 Cb 0.14 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1s6f s PRO 225 CO -0.07 -1.84 1.35 0.20 0.04 0.00 0.00 177.00 176.67 1s6f s GLY 226 N -3.47 2.98 -0.10 0.56 0.00 -1.23 -4.70 107.32 101.36 1s6f s GLY 226 Ca 0.62 1.34 0.02 0.00 0.00 0.00 0.00 44.72 46.69 1s6f s GLY 226 CO 0.56 1.99 -0.14 0.14 0.00 0.00 0.00 173.10 175.65 1s6f s VAL 227 N -1.15 2.99 0.01 1.40 1.01 0.85 -2.11 120.40 123.40 1s6f s VAL 227 Ca 0.51 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1s6f s VAL 227 Cb -0.41 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1s6f s VAL 227 CO 0.55 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.78 1s6f s TYR 228 N -0.08 1.03 0.22 5.22 1.51 -0.09 -1.72 117.35 123.44 1s6f s TYR 228 Ca -0.02 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.46 1s6f s TYR 228 Cb -0.14 -0.64 -0.10 0.00 -0.11 0.00 0.00 41.96 40.97 1s6f s TYR 228 CO 0.04 -0.00 1.51 0.99 -1.11 0.00 0.00 175.55 176.98 1s6f s THR 229 N -0.55 2.56 -1.04 -0.71 2.01 -0.22 -0.59 115.64 117.09 1s6f s THR 229 Ca 0.02 0.44 -0.22 0.00 0.31 0.00 0.00 61.69 62.24 1s6f s THR 229 Cb -0.06 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1s6f s THR 229 CO 0.00 0.06 1.46 -0.75 -0.69 0.00 0.00 174.62 174.70 1s6f s LYS 230 N 0.20 3.64 0.42 4.92 2.20 -0.15 -2.52 119.74 128.45 1s6f s LYS 230 Ca 0.64 -1.27 0.10 0.00 -0.36 0.00 0.00 55.97 55.08 1s6f s LYS 230 Cb -0.43 -5.35 0.91 0.00 -1.51 0.00 0.00 37.83 31.45 1s6f s LYS 230 CO 0.39 -2.18 2.01 0.28 -0.36 0.00 0.00 175.35 175.49 1s6f h VAL 231 N 6.59 1.12 0.00 4.02 2.07 -1.68 -1.69 116.25 126.67 1s6f h VAL 231 Ca 0.22 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1s6f h VAL 231 Cb 1.00 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1s6f h VAL 231 CO 1.41 0.15 0.00 0.00 0.02 0.00 0.00 177.57 179.15 1s6f n ASN 233 N -2.60 0.53 -0.51 0.00 4.13 -0.63 -4.25 115.26 111.93 1s6f n ASN 233 Ca -0.01 0.57 0.05 0.00 1.68 0.00 0.00 54.58 56.87 1s6f n ASN 233 Cb 0.11 -0.71 0.13 0.00 -1.54 0.00 0.00 39.78 37.77 1s6f n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1s6f n TYR 234 N -2.02 0.39 -0.17 3.10 4.01 -0.09 -4.71 117.16 117.68 1s6f n TYR 234 Ca 0.05 -0.55 -0.09 0.00 -0.16 0.00 0.00 57.90 57.15 1s6f n TYR 234 Cb 0.34 -0.06 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 1s6f n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s6f h VAL 235 N 1.50 1.25 -0.16 -0.72 2.07 -1.74 -0.15 116.25 118.30 1s6f h VAL 235 Ca 0.00 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1s6f h VAL 235 Cb 0.76 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1s6f h VAL 235 CO 0.02 0.33 0.05 0.78 0.02 0.00 0.00 177.57 178.76 1s6f h ASN 236 N 0.69 0.04 -0.73 0.57 4.21 -1.92 -0.77 115.58 117.68 1s6f h ASN 236 Ca 0.15 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1s6f h ASN 236 Cb 0.39 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.57 1s6f h ASN 236 CO 0.01 0.05 0.47 -0.25 -1.29 0.00 0.00 177.43 176.42 1s6f h TRP 237 N 0.12 0.93 -0.12 1.19 7.01 -1.82 -0.08 115.95 123.18 1s6f h TRP 237 Ca 0.07 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1s6f h TRP 237 Cb 0.05 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1s6f h TRP 237 CO -0.12 0.60 -0.03 0.82 -2.79 0.00 0.00 178.44 176.93 1s6f h ILE 238 N 0.99 1.29 -0.94 2.65 2.04 -0.85 -0.33 117.51 122.37 1s6f h ILE 238 Ca 0.27 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1s6f h ILE 238 Cb -0.09 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1s6f h ILE 238 CO -0.05 0.28 0.61 1.56 0.00 0.00 0.00 178.15 180.54 1s6f h GLN 239 N -0.08 1.24 -0.06 2.37 1.08 -0.94 -1.55 115.11 117.17 1s6f h GLN 239 Ca 0.03 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1s6f h GLN 239 Cb 0.44 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1s6f h GLN 239 CO 0.01 0.83 -0.04 1.96 -0.95 0.00 0.00 178.83 180.64 1s6f h GLN 240 N 1.28 -0.05 -0.62 1.46 4.20 -0.89 -0.91 115.11 119.57 1s6f h GLN 240 Ca 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1s6f h GLN 240 Cb -0.13 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1s6f h GLN 240 CO -0.07 -0.03 0.27 1.15 -0.67 0.00 0.00 178.83 179.47 1s6f h THR 241 N -0.05 1.23 -0.45 -0.54 2.02 -0.84 -0.97 112.91 113.31 1s6f h THR 241 Ca 0.04 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 1s6f h THR 241 Cb 0.11 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1s6f h THR 241 CO -0.09 0.27 -0.00 0.40 0.37 0.00 0.00 175.52 176.47 1s6f h ILE 242 N 0.87 1.26 -0.04 3.11 2.04 -1.13 -2.85 117.51 120.77 1s6f h ILE 242 Ca 0.21 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1s6f h ILE 242 Cb 0.17 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1s6f h ILE 242 CO -0.02 0.36 -0.40 0.00 0.00 0.00 0.00 178.15 178.09 1s6f h ALA 243 N 0.91 1.26 0.00 1.87 0.00 -0.91 -3.01 119.26 119.38 1s6f h ALA 243 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s6f h ALA 243 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1s6f h ALA 243 CO 0.02 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 1s6f n ALA 244 N -2.47 2.50 -0.90 0.00 0.00 -0.39 -5.10 120.51 114.15 1s6f n ALA 244 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1s6f n ALA 244 Cb 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1s6f n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59