#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fig s VAL 2 N 0.00 1.64 0.00 5.18 -7.23 -1.26 -4.63 120.40 114.10 1fig s VAL 2 Ca 0.00 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1fig s VAL 2 Cb 0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1fig s VAL 2 CO 0.00 -0.27 0.00 1.67 -0.31 0.00 0.00 175.10 176.19 1fig n GLN 3 N -0.60 0.00 -4.04 4.82 7.27 -0.95 -5.04 117.38 118.84 1fig n GLN 3 Ca -0.05 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.70 1fig n GLN 3 Cb 0.64 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.14 1fig n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1fig s LEU 4 N 0.00 3.87 -0.30 1.69 2.01 -1.26 -1.14 118.68 123.54 1fig s LEU 4 Ca 0.00 -1.67 -0.18 0.00 0.01 0.00 0.00 54.13 52.28 1fig s LEU 4 Cb 0.00 -1.55 -0.01 0.00 0.01 0.00 0.00 46.19 44.64 1fig s LEU 4 CO 0.00 -0.27 0.54 -1.58 1.01 0.00 0.00 176.35 176.06 1fig s GLN 5 N 1.05 3.87 0.03 1.70 2.00 -0.23 -3.98 119.66 124.10 1fig s GLN 5 Ca -0.01 0.14 0.06 0.00 -2.00 0.00 0.00 55.36 53.55 1fig s GLN 5 Cb -0.20 -3.73 -0.02 0.00 0.80 0.00 0.00 33.01 29.87 1fig s GLN 5 CO -0.06 -0.51 -0.18 -0.65 -0.50 0.00 0.00 175.29 173.39 1fig s GLN 6 N 2.42 1.23 -0.14 1.67 -0.21 -1.26 0.37 119.66 123.74 1fig s GLN 6 Ca 0.21 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.79 1fig s GLN 6 Cb -0.15 -1.28 0.03 0.00 1.00 0.00 0.00 33.01 32.61 1fig s GLN 6 CO 0.11 0.33 -0.08 -1.54 -2.12 0.00 0.00 175.29 171.99 1fig s SER 7 N -0.98 2.51 0.32 5.90 1.04 -1.25 -4.85 113.70 116.39 1fig s SER 7 Ca 0.05 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1fig s SER 7 Cb -0.08 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 1fig s SER 7 CO 0.01 -0.13 0.31 -0.83 0.98 0.00 0.00 173.24 173.58 1fig s GLY 8 N 1.64 2.06 0.03 7.32 0.00 -1.26 -4.65 107.32 112.46 1fig s GLY 8 Ca 0.03 -1.92 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 1fig s GLY 8 CO -0.08 -1.36 0.20 2.56 0.00 0.00 0.00 173.10 174.41 1fig s PRO 9 N -3.43 3.44 -0.07 2.90 0.04 -1.26 -4.76 135.00 131.87 1fig s PRO 9 Ca 0.38 -0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.08 1fig s PRO 9 Cb 0.02 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 1fig s PRO 9 CO 0.25 0.64 -0.15 -1.21 0.04 0.00 0.00 177.00 176.56 1fig s GLU 10 N -2.25 2.69 -0.25 4.56 8.01 -1.15 -4.80 118.70 125.51 1fig s GLU 10 Ca 0.32 -0.72 -0.07 0.00 0.01 0.00 0.00 54.97 54.50 1fig s GLU 10 Cb -0.13 -2.40 -0.03 0.00 -4.31 0.00 0.00 34.13 27.27 1fig s GLU 10 CO 0.24 0.51 0.06 -1.17 0.01 0.00 0.00 175.26 174.91 1fig s LEU 11 N -0.44 3.42 0.29 1.80 1.98 -1.26 -2.23 118.68 122.24 1fig s LEU 11 Ca 0.05 -0.25 0.07 0.00 -2.89 0.00 0.00 54.13 51.12 1fig s LEU 11 Cb -0.12 -1.91 -0.06 0.00 0.66 0.00 0.00 46.19 44.76 1fig s LEU 11 CO 0.02 -0.04 -0.07 -1.61 -1.89 0.00 0.00 176.35 172.76 1fig s GLU 12 N 1.60 1.60 0.79 1.98 0.41 -0.93 -4.94 118.70 119.21 1fig s GLU 12 Ca 0.06 -1.81 -0.12 0.00 -0.41 0.00 0.00 54.97 52.69 1fig s GLU 12 Cb -0.15 -1.28 0.07 0.00 -1.78 0.00 0.00 34.13 30.99 1fig s GLU 12 CO 0.03 0.07 1.14 0.21 -0.49 0.00 0.00 175.26 176.22 1fig s LYS 13 N -3.70 2.12 -0.13 1.61 2.20 -1.26 0.57 119.74 121.16 1fig s LYS 13 Ca 0.30 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.93 1fig s LYS 13 Cb 0.03 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1fig s LYS 13 CO 0.13 -1.52 1.66 -2.14 -0.36 0.00 0.00 175.35 173.12 1fig s PRO 14 N -5.41 3.98 0.00 4.03 0.02 -1.26 -3.86 135.00 132.50 1fig s PRO 14 Ca 0.61 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1fig s PRO 14 Cb -0.12 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.38 1fig s PRO 14 CO 0.51 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1fig n GLY 15 N 4.41 4.38 3.72 0.52 0.00 0.80 -4.95 105.19 114.07 1fig n GLY 15 Ca 0.18 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1fig n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fig s ALA 16 N -0.01 1.46 -0.35 4.61 0.00 -1.25 -3.38 121.76 122.84 1fig s ALA 16 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 1fig s ALA 16 Cb 0.00 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 20.05 1fig s ALA 16 CO 0.00 -2.43 0.09 -1.12 0.00 0.00 0.00 175.76 172.31 1fig s SER 17 N -3.52 5.03 -0.42 0.00 0.01 -1.26 -3.21 113.70 110.32 1fig s SER 17 Ca 0.64 -1.73 -0.29 0.00 1.31 0.00 0.00 55.95 55.88 1fig s SER 17 Cb -0.18 -1.75 0.03 0.00 0.21 0.00 0.00 66.02 64.33 1fig s SER 17 CO 0.57 -0.40 1.11 -0.69 0.41 0.00 0.00 173.24 174.24 1fig s VAL 18 N 1.15 4.32 -0.74 3.43 1.01 -1.15 -4.90 120.40 123.52 1fig s VAL 18 Ca 0.03 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 1fig s VAL 18 Cb -0.21 -4.54 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1fig s VAL 18 CO -0.03 -0.82 1.35 -0.75 0.00 0.00 0.00 175.10 174.84 1fig s LYS 19 N 4.16 3.15 0.26 2.72 2.20 -1.26 -3.78 119.74 127.18 1fig s LYS 19 Ca 0.47 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1fig s LYS 19 Cb -0.09 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 1fig s LYS 19 CO 0.26 -2.22 0.29 0.42 -0.36 0.00 0.00 175.35 173.74 1fig s ILE 20 N 6.06 4.66 0.09 5.43 1.01 -0.76 -5.00 121.20 132.70 1fig s ILE 20 Ca 0.39 -1.20 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1fig s ILE 20 Cb -0.08 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1fig s ILE 20 CO 0.14 -0.31 0.14 -0.94 0.00 0.00 0.00 174.94 173.98 1fig s SER 21 N -3.94 0.21 -0.08 3.58 1.04 -1.26 -1.50 113.70 111.74 1fig s SER 21 Ca 0.35 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 1fig s SER 21 Cb -0.08 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1fig s SER 21 CO 0.27 -0.72 0.25 0.00 0.98 0.00 0.00 173.24 174.02 1fig s LYS 23 N -0.12 2.52 0.00 0.00 1.02 0.16 -0.65 119.74 122.68 1fig s LYS 23 Ca -0.02 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 1fig s LYS 23 Cb -0.03 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1fig s LYS 23 CO 0.01 -0.54 1.16 0.00 -0.92 0.00 0.00 175.35 175.06 1fig s ALA 24 N 1.25 3.39 -0.21 5.17 0.00 -1.26 -1.07 121.76 129.03 1fig s ALA 24 Ca -0.04 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 1fig s ALA 24 Cb -0.19 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.55 1fig s ALA 24 CO -0.03 -0.52 0.09 -1.12 0.00 0.00 0.00 175.76 174.18 1fig s SER 25 N 1.20 2.74 0.00 0.00 0.01 -0.29 -4.88 113.70 112.48 1fig s SER 25 Ca 0.56 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1fig s SER 25 Cb -0.26 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1fig s SER 25 CO 0.26 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1fig n GLY 26 N 5.23 2.55 0.00 3.44 0.00 -1.26 -2.24 105.19 112.92 1fig n GLY 26 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1fig n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fig n PHE 27 N 0.00 -1.47 -1.89 1.61 7.35 -1.26 -4.97 117.46 116.83 1fig n PHE 27 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1fig n PHE 27 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1fig n PHE 27 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1fig s SER 28 N -0.85 6.52 -0.09 -2.13 0.01 -1.26 -4.95 113.70 110.95 1fig s SER 28 Ca 0.00 2.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.89 1fig s SER 28 Cb 0.00 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 1fig s SER 28 CO 0.00 -0.83 0.40 -0.07 0.41 0.00 0.00 173.24 173.15 1fig h LEU 29 N 5.73 -0.08 -7.72 2.44 4.07 -1.95 -3.45 115.31 114.36 1fig h LEU 29 Ca -0.45 -0.30 -0.17 0.00 0.08 0.00 0.00 57.88 57.04 1fig h LEU 29 Cb 1.21 0.02 0.04 0.00 1.08 0.00 0.00 40.66 43.02 1fig h LEU 29 CO 0.85 0.55 0.78 -0.81 -1.08 0.00 0.00 178.44 178.72 1fig n PRO 30 N -4.80 0.01 0.00 1.13 -0.04 -1.26 -3.94 135.00 126.10 1fig n PRO 30 Ca -0.04 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1fig n PRO 30 Cb 0.18 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1fig n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fig n GLY 31 N 4.40 1.12 0.00 0.55 0.00 -1.26 -5.15 105.19 104.85 1fig n GLY 31 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1fig n GLY 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1fig n HIS 32 N 0.00 0.00 -3.76 1.61 -0.00 -1.25 -4.98 115.22 106.84 1fig n HIS 32 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1fig n HIS 32 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 1fig n HIS 32 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1fig s ASN 33 N 0.00 -0.23 -0.51 0.26 0.01 -1.26 -4.30 114.94 108.91 1fig s ASN 33 Ca 0.00 0.46 -0.17 0.00 -0.71 0.00 0.00 52.86 52.44 1fig s ASN 33 Cb 0.00 0.39 0.08 0.00 0.41 0.00 0.00 41.25 42.14 1fig s ASN 33 CO 0.00 -0.13 0.53 -0.63 -1.51 0.00 0.00 177.10 175.36 1fig s ILE 34 N 0.80 5.07 -0.03 0.60 -1.09 -1.24 -4.63 121.20 120.67 1fig s ILE 34 Ca -0.06 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.24 1fig s ILE 34 Cb -0.07 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1fig s ILE 34 CO -0.05 -0.78 0.40 0.20 -1.23 0.00 0.00 174.94 173.49 1fig s ASN 35 N 2.97 6.76 -0.43 3.58 0.01 -1.26 -2.56 114.94 124.01 1fig s ASN 35 Ca 0.08 0.90 -0.09 0.00 -0.71 0.00 0.00 52.86 53.04 1fig s ASN 35 Cb -0.24 -2.25 0.09 0.00 0.41 0.00 0.00 41.25 39.26 1fig s ASN 35 CO 0.07 0.26 0.27 0.26 -1.51 0.00 0.00 177.10 176.46 1fig s TRP 36 N -0.72 3.36 0.24 2.20 0.52 -1.22 -3.11 118.94 120.21 1fig s TRP 36 Ca 0.23 -1.60 -0.03 0.00 0.02 0.00 0.00 56.10 54.72 1fig s TRP 36 Cb -0.16 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.06 1fig s TRP 36 CO 0.12 -0.87 0.47 0.42 0.02 0.00 0.00 176.95 177.11 1fig s ILE 37 N 1.41 5.11 -0.04 2.03 1.01 -1.24 -2.15 121.20 127.32 1fig s ILE 37 Ca 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1fig s ILE 37 Cb -0.24 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1fig s ILE 37 CO 0.02 -0.24 -0.08 0.54 0.00 0.00 0.00 174.94 175.18 1fig s VAL 38 N -1.96 0.79 -0.19 2.92 0.11 -0.07 -1.81 120.40 120.19 1fig s VAL 38 Ca 0.41 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1fig s VAL 38 Cb -0.11 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1fig s VAL 38 CO 0.29 0.27 0.03 -1.58 -3.33 0.00 0.00 175.10 170.78 1fig s GLN 39 N 0.55 3.78 0.48 1.54 0.74 -1.21 -1.09 119.66 124.46 1fig s GLN 39 Ca -0.09 -0.44 -0.19 0.00 0.05 0.00 0.00 55.36 54.69 1fig s GLN 39 Cb -0.13 -3.14 -0.09 0.00 1.10 0.00 0.00 33.01 30.76 1fig s GLN 39 CO 0.01 0.14 0.98 1.03 -0.55 0.00 0.00 175.29 176.91 1fig s ARG 40 N 0.70 4.00 -0.01 1.67 1.81 0.70 -3.57 118.95 124.25 1fig s ARG 40 Ca 0.01 1.10 -0.30 0.00 -1.72 0.00 0.00 55.73 54.82 1fig s ARG 40 Cb -0.14 -2.14 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 1fig s ARG 40 CO 0.02 -0.23 1.63 1.21 -0.68 0.00 0.00 175.30 177.25 1fig s ASN 41 N -2.52 6.67 -0.94 0.23 3.84 -1.26 -2.00 114.94 118.95 1fig s ASN 41 Ca 0.62 2.30 0.00 0.00 0.21 0.00 0.00 52.86 55.98 1fig s ASN 41 Cb -0.11 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1fig s ASN 41 CO 0.22 -0.89 0.00 0.61 -2.79 0.00 0.00 177.10 174.25 1fig n GLY 42 N 4.05 0.84 0.00 1.21 0.00 -1.26 -4.84 105.19 105.19 1fig n GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1fig n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fig n LYS 43 N -1.31 0.00 -4.55 1.61 5.02 -0.85 -5.18 118.16 112.90 1fig n LYS 43 Ca -0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.94 1fig n LYS 43 Cb 0.34 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.26 1fig n LYS 43 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fig s SER 44 N 1.00 2.99 0.46 4.39 0.15 -1.26 -4.73 113.70 116.70 1fig s SER 44 Ca 0.00 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.06 1fig s SER 44 Cb 0.00 0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1fig s SER 44 CO 0.00 -0.83 0.69 -0.76 1.20 0.00 0.00 173.24 173.54 1fig s LEU 45 N -3.63 3.61 0.14 3.45 1.43 -1.26 -0.21 118.68 122.20 1fig s LEU 45 Ca 0.24 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.38 1fig s LEU 45 Cb 0.04 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 43.17 1fig s LEU 45 CO 0.13 -0.73 1.06 -1.83 0.23 0.00 0.00 176.35 175.20 1fig s GLU 46 N -4.58 1.10 0.04 1.70 -1.05 -0.25 -4.93 118.70 110.73 1fig s GLU 46 Ca 0.49 -0.67 0.05 0.00 -0.15 0.00 0.00 54.97 54.69 1fig s GLU 46 Cb -0.10 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 1fig s GLU 46 CO 0.38 -0.51 -0.13 -0.46 0.95 0.00 0.00 175.26 175.48 1fig s TRP 47 N -2.60 1.17 -0.07 4.83 -0.00 -1.26 -0.89 118.94 120.11 1fig s TRP 47 Ca 0.18 -0.36 -0.05 0.00 -0.00 0.00 0.00 56.10 55.86 1fig s TRP 47 Cb -0.01 -0.69 -0.02 0.00 -0.00 0.00 0.00 33.47 32.75 1fig s TRP 47 CO 0.03 0.03 -0.10 -0.89 -0.00 0.00 0.00 176.95 176.01 1fig n ILE 48 N 1.85 0.68 -1.38 5.86 5.41 -0.91 -4.74 119.36 126.13 1fig n ILE 48 Ca -0.18 0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1fig n ILE 48 Cb 0.55 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1fig n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fig n GLY 49 N 1.63 -1.56 3.23 7.39 0.00 -1.26 0.39 105.19 115.01 1fig n GLY 49 Ca -0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1fig n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fig s ASN 50 N -1.65 1.34 -0.10 1.61 2.20 -0.68 -3.42 114.94 114.25 1fig s ASN 50 Ca 0.00 -1.10 0.00 0.00 -0.94 0.00 0.00 52.86 50.82 1fig s ASN 50 Cb 0.00 0.08 0.02 0.00 -2.00 0.00 0.00 41.25 39.35 1fig s ASN 50 CO 0.00 -0.49 -0.09 -0.51 -2.94 0.00 0.00 177.10 173.07 1fig s ILE 51 N -3.57 1.03 -0.11 0.54 1.10 -1.06 -3.43 121.20 115.69 1fig s ILE 51 Ca 0.20 -0.33 -0.29 0.00 -0.51 0.00 0.00 60.65 59.72 1fig s ILE 51 Cb 0.05 -1.02 -0.07 0.00 0.15 0.00 0.00 42.46 41.58 1fig s ILE 51 CO 0.01 0.36 2.12 -0.67 -2.11 0.00 0.00 174.94 174.65 1fig n ASP 52 N 4.60 3.64 -2.38 4.50 2.03 -1.13 -3.60 116.55 124.22 1fig n ASP 52 Ca -0.16 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1fig n ASP 52 Cb 0.50 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1fig n ASP 52 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1fig n PRO 52 N 8.24 0.00 0.02 -0.67 -0.02 -1.26 -3.99 135.00 137.33 1fig n PRO 52 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1fig n PRO 52 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1fig n PRO 52 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1fig n TYR 53 N 2.60 -1.47 -3.06 6.00 9.36 -1.26 -4.39 117.16 124.95 1fig n TYR 53 Ca 0.00 0.15 -0.08 0.00 3.32 0.00 0.00 57.90 61.29 1fig n TYR 53 Cb 0.00 0.58 0.03 0.00 -0.63 0.00 0.00 39.34 39.31 1fig n TYR 53 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1fig n TYR 54 N -2.19 -2.60 -1.77 2.98 4.01 -1.26 -4.92 117.16 111.41 1fig n TYR 54 Ca 0.00 -0.88 -0.29 0.00 -0.16 0.00 0.00 57.90 56.57 1fig n TYR 54 Cb 0.00 -0.23 0.04 0.00 -0.31 0.00 0.00 39.34 38.85 1fig n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fig n GLY 55 N 2.08 6.15 3.74 2.72 0.00 -1.26 -4.38 105.19 114.24 1fig n GLY 55 Ca 0.06 -2.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.13 1fig n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fig n GLY 56 N -0.77 1.21 2.65 -0.02 0.00 -1.26 -4.80 105.19 102.18 1fig n GLY 56 Ca 0.51 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.74 1fig n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fig s THR 57 N -0.18 -0.17 -0.15 2.61 -4.23 -1.25 -2.82 115.64 109.45 1fig s THR 57 Ca 0.63 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.72 1fig s THR 57 Cb -0.52 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1fig s THR 57 CO 0.51 -0.36 0.31 0.20 -0.54 0.00 0.00 174.62 174.74 1fig s ASN 58 N 2.20 6.47 0.07 3.99 0.01 -1.22 -4.95 114.94 121.51 1fig s ASN 58 Ca 0.05 0.55 0.05 0.00 -0.71 0.00 0.00 52.86 52.80 1fig s ASN 58 Cb -0.16 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1fig s ASN 58 CO -0.17 0.11 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.03 1fig s PHE 59 N 0.39 1.17 0.03 2.20 0.08 -1.26 -1.68 117.98 118.91 1fig s PHE 59 Ca 0.17 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 1fig s PHE 59 Cb -0.13 -0.66 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 1fig s PHE 59 CO 0.05 0.05 1.26 1.21 -0.10 0.00 0.00 175.22 177.69 1fig s ASN 60 N -1.80 7.00 -0.14 1.36 3.04 0.16 -4.89 114.94 119.68 1fig s ASN 60 Ca -0.02 2.03 -0.01 0.00 0.04 0.00 0.00 52.86 54.91 1fig s ASN 60 Cb -0.09 -2.57 -0.02 0.00 -1.54 0.00 0.00 41.25 37.03 1fig s ASN 60 CO 0.02 -0.56 1.13 -0.81 -3.04 0.00 0.00 177.10 173.84 1fig n PRO 61 N 4.46 0.39 0.02 0.43 -0.04 -1.26 -0.23 135.00 138.76 1fig n PRO 61 Ca 0.10 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1fig n PRO 61 Cb 0.45 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1fig n PRO 61 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fig n LYS 62 N 4.27 0.00 -2.82 0.54 4.81 -1.26 -5.03 118.16 118.66 1fig n LYS 62 Ca 0.08 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.09 1fig n LYS 62 Cb 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.08 1fig n LYS 62 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1fig s PHE 63 N -2.00 2.99 -0.08 5.64 0.08 0.68 -4.80 117.98 120.49 1fig s PHE 63 Ca 0.00 -1.32 -0.05 0.00 0.12 0.00 0.00 56.93 55.68 1fig s PHE 63 Cb 0.00 -4.41 0.03 0.00 -0.57 0.00 0.00 43.02 38.07 1fig s PHE 63 CO 0.00 -1.61 0.20 0.15 -0.10 0.00 0.00 175.22 173.86 1fig s LYS 64 N 3.23 0.19 0.00 0.44 1.02 -1.26 -3.96 119.74 119.39 1fig s LYS 64 Ca 0.38 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1fig s LYS 64 Cb -0.03 -0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1fig s LYS 64 CO -0.08 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1fig n GLY 65 N 3.64 2.61 2.22 -3.33 0.00 -1.26 -4.71 105.19 104.37 1fig n GLY 65 Ca -0.20 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1fig n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fig n LYS 66 N 0.00 2.38 -3.15 1.61 5.02 -1.26 -4.62 118.16 118.14 1fig n LYS 66 Ca 0.00 -3.11 0.04 0.00 -2.02 0.00 0.00 58.31 53.23 1fig n LYS 66 Cb 0.00 -2.20 -0.00 0.00 -0.02 0.00 0.00 35.03 32.81 1fig n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fig s ALA 67 N -3.45 -2.65 -0.33 7.82 0.00 -1.23 -4.16 121.76 117.75 1fig s ALA 67 Ca 0.59 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.74 1fig s ALA 67 Cb 0.49 -2.55 0.10 0.00 0.00 0.00 0.00 23.12 21.15 1fig s ALA 67 CO 0.07 -1.82 0.07 0.99 0.00 0.00 0.00 175.76 175.06 1fig s THR 68 N 2.85 1.72 -0.25 0.00 2.01 -1.20 -4.87 115.64 115.90 1fig s THR 68 Ca 0.13 -1.96 -0.14 0.00 0.31 0.00 0.00 61.69 60.04 1fig s THR 68 Cb -0.09 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1fig s THR 68 CO -0.25 -0.62 0.30 -0.76 -0.69 0.00 0.00 174.62 172.61 1fig s LEU 69 N 1.19 4.07 -0.10 4.42 1.02 -1.26 -1.54 118.68 126.48 1fig s LEU 69 Ca 0.10 0.24 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 1fig s LEU 69 Cb -0.18 -2.33 0.03 0.00 0.02 0.00 0.00 46.19 43.73 1fig s LEU 69 CO -0.15 -0.09 0.26 -0.89 0.02 0.00 0.00 176.35 175.50 1fig s THR 70 N 1.68 -0.01 -0.04 5.49 2.01 -0.06 -4.87 115.64 119.84 1fig s THR 70 Ca 0.13 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 1fig s THR 70 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1fig s THR 70 CO 0.09 0.02 0.14 0.54 -0.69 0.00 0.00 174.62 174.72 1fig s VAL 71 N 0.58 5.20 0.14 3.82 0.11 -1.25 0.67 120.40 129.67 1fig s VAL 71 Ca -0.04 -0.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1fig s VAL 71 Cb -0.05 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1fig s VAL 71 CO -0.03 0.42 0.04 1.51 -3.33 0.00 0.00 175.10 173.70 1fig s ASP 72 N -1.60 5.07 0.00 3.54 1.47 -1.18 -5.01 116.67 118.97 1fig s ASP 72 Ca 0.22 -0.24 0.00 0.00 1.18 0.00 0.00 52.55 53.71 1fig s ASP 72 Cb -0.12 -1.20 0.00 0.00 -0.34 0.00 0.00 42.92 41.26 1fig s ASP 72 CO 0.13 0.11 0.03 2.29 0.68 0.00 0.00 175.17 178.41 1fig n LYS 73 N 0.06 0.00 0.00 2.11 2.85 -1.26 -3.76 118.16 118.15 1fig n LYS 73 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1fig n LYS 73 Cb 0.54 -0.35 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 1fig n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1fig n SER 74 N -0.05 0.00 -3.91 -5.58 3.41 -1.26 -1.22 113.62 105.00 1fig n SER 74 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1fig n SER 74 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1fig n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1fig s SER 75 N 0.00 4.70 0.00 4.04 0.01 -1.26 -5.01 113.70 116.18 1fig s SER 75 Ca 0.00 -3.65 0.00 0.00 1.31 0.00 0.00 55.95 53.61 1fig s SER 75 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1fig s SER 75 CO 0.00 -0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.33 1fig n SER 76 N 2.25 0.00 -4.85 2.44 7.64 -0.36 -4.76 113.62 115.98 1fig n SER 76 Ca 0.16 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.68 1fig n SER 76 Cb 0.34 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1fig n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fig s THR 77 N 0.00 5.03 -0.13 0.44 2.01 -1.25 -4.31 115.64 117.43 1fig s THR 77 Ca 0.00 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 1fig s THR 77 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1fig s THR 77 CO 0.00 0.39 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.53 1fig s LEU 78 N -1.60 3.29 0.31 4.42 2.01 0.17 -3.07 118.68 124.21 1fig s LEU 78 Ca 0.30 -0.06 0.10 0.00 0.01 0.00 0.00 54.13 54.48 1fig s LEU 78 Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 1fig s LEU 78 CO 0.16 0.24 -0.04 -0.31 1.01 0.00 0.00 176.35 177.42 1fig s TYR 79 N -0.07 2.52 -0.12 0.29 1.51 0.21 -0.65 117.35 121.06 1fig s TYR 79 Ca 0.02 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.61 1fig s TYR 79 Cb -0.13 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1fig s TYR 79 CO 0.03 0.56 0.30 1.41 -1.11 0.00 0.00 175.55 176.74 1fig s MET 80 N -3.66 0.34 -0.17 -0.62 1.75 -0.57 -0.88 119.30 115.49 1fig s MET 80 Ca 0.33 0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 55.19 1fig s MET 80 Cb -0.02 0.12 0.07 0.00 2.84 0.00 0.00 34.83 37.84 1fig s MET 80 CO 0.18 -0.07 0.16 -1.58 -0.65 0.00 0.00 175.02 173.07 1fig s HIS 81 N 0.40 -0.10 0.00 4.11 5.04 -0.59 -1.82 115.29 122.34 1fig s HIS 81 Ca -0.02 0.11 0.01 0.00 -1.54 0.00 0.00 55.06 53.62 1fig s HIS 81 Cb -0.04 -0.46 -0.04 0.00 0.04 0.00 0.00 32.58 32.09 1fig s HIS 81 CO -0.02 -0.51 0.04 -0.48 -2.34 0.00 0.00 174.74 171.43 1fig s LEU 82 N 2.26 3.70 0.12 8.88 2.34 -1.25 -3.20 118.68 131.53 1fig s LEU 82 Ca 0.05 0.06 0.03 0.00 0.06 0.00 0.00 54.13 54.32 1fig s LEU 82 Cb -0.15 -2.16 -0.04 0.00 -0.56 0.00 0.00 46.19 43.28 1fig s LEU 82 CO -0.10 0.27 -0.08 -0.89 -1.06 0.00 0.00 176.35 174.49 1fig s THR 82 N -1.16 0.93 -1.32 5.48 2.01 -1.26 -2.92 115.64 117.40 1fig s THR 82 Ca 0.22 -2.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.16 1fig s THR 82 Cb -0.12 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1fig s THR 82 CO 0.13 -0.80 1.09 -1.20 -0.69 0.00 0.00 174.62 173.14 1fig n SER 82 N -0.12 -4.61 -4.67 3.53 7.64 -1.22 -4.76 113.62 109.41 1fig n SER 82 Ca -0.11 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 1fig n SER 82 Cb 0.61 -4.93 -0.03 0.00 -1.01 0.00 0.00 64.21 58.85 1fig n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fig s LEU 82 N -6.98 4.42 -0.01 -3.43 2.01 -1.20 -4.74 118.68 108.76 1fig s LEU 82 Ca 0.38 2.69 0.02 0.00 0.01 0.00 0.00 54.13 57.22 1fig s LEU 82 Cb -0.17 -3.54 -0.00 0.00 0.01 0.00 0.00 46.19 42.49 1fig s LEU 82 CO 0.74 -1.04 -0.07 -1.58 1.01 0.00 0.00 176.35 175.41 1fig s GLN 83 N 4.00 0.66 0.12 1.70 0.74 -1.26 -0.14 119.66 125.48 1fig s GLN 83 Ca 0.86 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1fig s GLN 83 Cb -0.43 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.04 1fig s GLN 83 CO 0.40 0.14 0.26 0.43 -0.55 0.00 0.00 175.29 175.97 1fig n SER 84 N 3.01 0.00 -0.47 6.67 7.64 -1.26 -1.03 113.62 128.18 1fig n SER 84 Ca -0.15 0.09 0.07 0.00 1.01 0.00 0.00 58.87 59.90 1fig n SER 84 Cb 0.57 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.80 1fig n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fig n GLU 85 N -0.80 1.35 0.00 1.43 4.71 -1.26 -4.08 120.64 121.99 1fig n GLU 85 Ca 0.00 -1.11 0.11 0.00 -0.01 0.00 0.00 57.16 56.16 1fig n GLU 85 Cb 0.26 -1.25 0.55 0.00 -1.01 0.00 0.00 31.44 29.99 1fig n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1fig n ASP 86 N 0.41 0.00 -4.37 1.62 8.00 -0.20 -4.58 116.55 117.43 1fig n ASP 86 Ca 0.07 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.54 1fig n ASP 86 Cb 0.33 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 1fig n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fig n SER 87 N -1.39 2.05 -0.27 -2.24 7.64 -1.26 -4.72 113.62 113.42 1fig n SER 87 Ca 0.08 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1fig n SER 87 Cb 0.23 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 1fig n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fig n ALA 88 N 15.57 0.00 -2.40 -0.43 0.00 -1.01 -4.59 120.51 127.66 1fig n ALA 88 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1fig n ALA 88 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1fig n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1fig s VAL 89 N -2.52 2.85 0.09 0.00 -7.23 -1.23 -1.49 120.40 110.88 1fig s VAL 89 Ca 0.00 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1fig s VAL 89 Cb 0.00 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 1fig s VAL 89 CO 0.00 -0.08 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.28 1fig s TYR 90 N -2.46 1.14 0.26 2.82 2.02 0.62 -3.35 117.35 118.40 1fig s TYR 90 Ca 0.42 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1fig s TYR 90 Cb -0.02 -0.62 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1fig s TYR 90 CO 0.25 0.04 0.05 0.71 -1.57 0.00 0.00 175.55 175.03 1fig s TYR 91 N -2.09 1.60 0.04 2.71 2.02 -0.75 -3.10 117.35 117.77 1fig s TYR 91 Ca 0.04 -1.04 0.04 0.00 -0.37 0.00 0.00 57.07 55.74 1fig s TYR 91 Cb -0.05 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 1fig s TYR 91 CO 0.01 -0.16 -0.12 0.00 -1.57 0.00 0.00 175.55 173.71 1fig s ALA 93 N -0.88 -0.44 0.02 0.00 0.00 -1.18 -1.08 121.76 118.20 1fig s ALA 93 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1fig s ALA 93 Cb -0.08 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1fig s ALA 93 CO 0.01 -0.52 -0.01 0.50 0.00 0.00 0.00 175.76 175.74 1fig s ARG 94 N -3.63 0.30 -0.22 0.00 3.52 0.17 -4.25 118.95 114.84 1fig s ARG 94 Ca 0.03 -0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 54.86 1fig s ARG 94 Cb 0.03 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 1fig s ARG 94 CO -0.10 -0.05 0.75 -0.98 -0.81 0.00 0.00 175.30 174.11 1fig s ARG 95 N -1.33 4.20 -0.23 5.12 1.70 -1.26 -2.98 118.95 124.16 1fig s ARG 95 Ca -0.15 0.82 -0.09 0.00 -0.47 0.00 0.00 55.73 55.84 1fig s ARG 95 Cb -0.09 -3.62 -0.11 0.00 -0.57 0.00 0.00 34.95 30.56 1fig s ARG 95 CO -0.01 -0.41 -0.28 -2.13 -1.08 0.00 0.00 175.30 171.39 1fig n ARG 96 N 5.61 0.51 0.00 3.89 3.00 -1.26 -5.03 116.66 123.38 1fig n ARG 96 Ca 0.03 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1fig n ARG 96 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.59 1fig n ARG 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1fig n ASP 97 N -3.88 0.72 -2.20 6.15 8.00 -1.26 -4.96 116.55 119.11 1fig n ASP 97 Ca -0.45 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 54.77 1fig n ASP 97 Cb 0.84 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 42.06 1fig n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fig n GLY 98 N 5.00 5.35 1.15 0.44 0.00 -1.26 -4.55 105.19 111.32 1fig n GLY 98 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1fig n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fig n ASN 99 N -1.00 2.85 -0.81 1.61 6.94 -1.26 -4.92 115.26 118.67 1fig n ASN 99 Ca 0.59 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 1fig n ASN 99 Cb 1.07 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1fig n ASN 99 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fig n TYR 100 N 0.10 0.00 0.00 -2.53 9.36 -1.26 -4.33 117.16 118.50 1fig n TYR 100 Ca 0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1fig n TYR 100 Cb 0.70 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.41 1fig n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fig n GLY 100 N -0.30 1.64 3.74 2.98 0.00 -1.26 -5.15 105.19 106.84 1fig n GLY 100 Ca 0.00 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1fig n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fig s PHE 100 N 0.00 3.85 -0.18 1.61 0.08 -1.26 -4.99 117.98 117.09 1fig s PHE 100 Ca 0.00 1.83 -0.18 0.00 0.12 0.00 0.00 56.93 58.70 1fig s PHE 100 Cb 0.00 -3.06 -0.14 0.00 -0.57 0.00 0.00 43.02 39.25 1fig s PHE 100 CO 0.00 0.18 0.13 1.15 -0.10 0.00 0.00 175.22 176.57 1fig h THR 101 N 3.54 0.67 -2.80 0.64 2.02 -1.90 -3.45 112.91 111.64 1fig h THR 101 Ca -0.44 -1.81 -0.74 0.00 0.77 0.00 0.00 66.41 64.19 1fig h THR 101 Cb 1.21 1.57 -0.21 0.00 -1.74 0.00 0.00 68.15 68.98 1fig h THR 101 CO 0.70 0.23 0.79 -0.31 0.37 0.00 0.00 175.52 177.30 1fig s TYR 102 N -2.29 3.55 0.50 3.16 2.02 -1.23 -4.91 117.35 118.14 1fig s TYR 102 Ca -0.23 -1.95 0.01 0.00 -0.37 0.00 0.00 57.07 54.53 1fig s TYR 102 Cb 0.04 -4.13 0.01 0.00 -0.40 0.00 0.00 41.96 37.48 1fig s TYR 102 CO 0.47 -1.28 0.71 -1.58 -1.57 0.00 0.00 175.55 172.31 1fig s TRP 103 N 1.22 3.03 0.00 2.71 0.52 -1.26 0.46 118.94 125.61 1fig s TRP 103 Ca 0.33 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.53 1fig s TRP 103 Cb -0.06 -2.52 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 1fig s TRP 103 CO -0.06 -0.61 0.00 0.41 0.02 0.00 0.00 176.95 176.71 1fig n GLY 104 N -2.19 1.21 0.00 0.98 0.00 -0.24 -4.66 105.19 100.28 1fig n GLY 104 Ca 0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1fig n GLY 104 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fig n GLN 105 N 0.00 0.45 -3.34 1.61 -0.06 -1.26 -4.88 117.38 109.90 1fig n GLN 105 Ca 0.00 0.00 -0.45 0.00 -2.00 0.00 0.00 57.00 54.55 1fig n GLN 105 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1fig n GLN 105 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1fig s GLY 106 N -1.58 2.07 -0.44 1.69 0.00 -1.26 -4.82 107.32 102.98 1fig s GLY 106 Ca 0.00 -2.36 -0.21 0.00 0.00 0.00 0.00 44.72 42.16 1fig s GLY 106 CO 0.00 1.14 0.64 -1.59 0.00 0.00 0.00 173.10 173.29 1fig s THR 107 N 1.62 4.83 0.13 0.90 2.01 -1.18 -4.50 115.64 119.46 1fig s THR 107 Ca 0.03 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1fig s THR 107 Cb -0.28 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1fig s THR 107 CO 0.05 -0.61 0.12 -0.22 -0.69 0.00 0.00 174.62 173.26 1fig s LEU 108 N 2.80 3.81 -0.02 4.42 0.20 -1.26 -0.27 118.68 128.35 1fig s LEU 108 Ca 0.22 -0.08 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 1fig s LEU 108 Cb -0.14 -2.45 0.02 0.00 -0.43 0.00 0.00 46.19 43.19 1fig s LEU 108 CO 0.18 0.11 0.04 -0.69 -0.29 0.00 0.00 176.35 175.70 1fig s VAL 109 N -1.62 -0.03 0.01 1.68 1.01 -0.55 -2.91 120.40 117.98 1fig s VAL 109 Ca 0.30 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1fig s VAL 109 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1fig s VAL 109 CO 0.23 0.05 -0.25 -0.89 0.00 0.00 0.00 175.10 174.23 1fig s THR 110 N 0.58 2.01 -0.57 3.92 2.01 -0.95 -2.40 115.64 120.25 1fig s THR 110 Ca -0.05 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 60.81 1fig s THR 110 Cb -0.07 -1.69 0.17 0.00 0.01 0.00 0.00 72.50 70.92 1fig s THR 110 CO -0.02 0.47 0.41 -0.69 -0.69 0.00 0.00 174.62 174.10 1fig s VAL 111 N -0.67 1.79 -0.13 3.82 1.01 -1.26 -2.18 120.40 122.77 1fig s VAL 111 Ca 0.10 -3.49 -0.27 0.00 0.00 0.00 0.00 61.98 58.32 1fig s VAL 111 Cb -0.10 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1fig s VAL 111 CO 0.00 -1.08 0.67 -0.55 0.00 0.00 0.00 175.10 174.14 1fig s SER 112 N -0.70 -0.66 -0.89 3.32 0.15 0.19 -4.53 113.70 110.58 1fig s SER 112 Ca 0.27 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.81 1fig s SER 112 Cb -0.04 0.88 -0.13 0.00 -1.71 0.00 0.00 66.02 65.03 1fig s SER 112 CO -0.16 -0.45 3.15 0.00 1.20 0.00 0.00 173.24 176.98 1fig n ALA 113 N 1.65 6.97 -2.54 5.45 0.00 -1.26 -4.52 120.51 126.26 1fig n ALA 113 Ca -0.17 -2.90 -0.22 0.00 0.00 0.00 0.00 53.44 50.14 1fig n ALA 113 Cb 0.56 -2.83 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 1fig n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fig s ALA 114 N 1.12 1.74 0.47 0.00 0.00 -1.26 -5.10 121.76 118.73 1fig s ALA 114 Ca 0.67 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 1fig s ALA 114 Cb 0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 1fig s ALA 114 CO -0.05 0.29 1.03 0.21 0.00 0.00 0.00 175.76 177.24 1fig s LYS 115 N -2.13 3.88 0.56 0.00 2.47 -1.26 -5.02 119.74 118.24 1fig s LYS 115 Ca 0.07 1.36 -0.17 0.00 -1.56 0.00 0.00 55.97 55.67 1fig s LYS 115 Cb -0.09 -2.15 -0.05 0.00 -1.46 0.00 0.00 37.83 34.08 1fig s LYS 115 CO 0.04 -0.36 1.06 0.95 0.16 0.00 0.00 175.35 177.20 1fig s THR 116 N -1.96 3.77 -0.05 3.43 -4.23 -1.26 -4.88 115.64 110.46 1fig s THR 116 Ca 0.66 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 62.07 1fig s THR 116 Cb -0.16 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.32 1fig s THR 116 CO 0.20 -0.41 0.09 -0.89 -0.54 0.00 0.00 174.62 173.07 1fig s THR 117 N -2.29 -0.14 0.28 3.99 2.01 -1.22 -4.95 115.64 113.33 1fig s THR 117 Ca 0.65 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 1fig s THR 117 Cb -0.16 -0.19 -0.10 0.00 0.01 0.00 0.00 72.50 72.05 1fig s THR 117 CO 0.32 0.15 1.39 -2.84 -0.69 0.00 0.00 174.62 172.95 1fig s PRO 118 N 1.96 4.29 1.05 4.92 0.02 -1.26 -2.74 135.00 143.24 1fig s PRO 118 Ca 0.01 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 1fig s PRO 118 Cb -0.12 -3.09 0.12 0.00 0.02 0.00 0.00 34.50 31.43 1fig s PRO 118 CO -0.04 -0.34 0.43 -0.35 -0.33 0.00 0.00 177.00 176.37 1fig n PRO 119 N 1.72 -1.20 -3.61 5.54 -0.04 -1.26 -4.68 135.00 131.47 1fig n PRO 119 Ca 0.04 -0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 62.90 1fig n PRO 119 Cb 0.41 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1fig n PRO 119 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1fig s SER 120 N -2.08 3.21 0.11 3.54 0.01 -1.26 -4.99 113.70 112.24 1fig s SER 120 Ca 0.60 -2.66 -0.31 0.00 1.31 0.00 0.00 55.95 54.89 1fig s SER 120 Cb -0.18 -0.81 -0.07 0.00 0.21 0.00 0.00 66.02 65.16 1fig s SER 120 CO 0.66 -0.25 1.29 -0.69 0.41 0.00 0.00 173.24 174.66 1fig s VAL 121 N 0.38 3.61 0.02 3.43 1.01 -1.26 -0.72 120.40 126.86 1fig s VAL 121 Ca 0.21 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1fig s VAL 121 Cb -0.18 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1fig s VAL 121 CO -0.04 0.11 -0.04 -0.31 0.00 0.00 0.00 175.10 174.82 1fig s TYR 122 N 0.90 0.37 -0.10 5.22 2.02 -0.67 -4.98 117.35 120.11 1fig s TYR 122 Ca 0.61 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.84 1fig s TYR 122 Cb -0.34 -0.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.94 1fig s TYR 122 CO 0.31 -0.09 0.28 -1.25 -1.57 0.00 0.00 175.55 173.23 1fig s PRO 123 N -1.00 3.93 -0.06 -1.71 0.04 -1.26 -2.39 135.00 132.56 1fig s PRO 123 Ca -0.08 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.10 1fig s PRO 123 Cb -0.07 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1fig s PRO 123 CO -0.00 0.52 -0.12 -0.51 0.04 0.00 0.00 177.00 176.93 1fig s LEU 124 N -0.40 2.86 0.29 -3.56 2.01 -0.74 -5.01 118.68 114.13 1fig s LEU 124 Ca 0.18 -0.15 0.09 0.00 0.01 0.00 0.00 54.13 54.27 1fig s LEU 124 Cb -0.14 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.42 1fig s LEU 124 CO 0.07 0.35 0.00 0.00 1.01 0.00 0.00 176.35 177.77 1fig s ALA 125 N -0.72 3.18 -0.01 4.21 0.00 -1.26 -3.90 121.76 123.26 1fig s ALA 125 Ca 0.11 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 1fig s ALA 125 Cb -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1fig s ALA 125 CO 0.01 0.21 -0.09 -0.35 0.00 0.00 0.00 175.76 175.53 1fig n PRO 126 N -0.92 0.14 0.00 0.00 -0.05 -1.26 -5.00 135.00 127.91 1fig n PRO 126 Ca -0.06 0.06 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1fig n PRO 126 Cb 0.60 -0.63 0.00 0.00 -0.05 0.00 0.00 33.50 33.41 1fig n PRO 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1fig n GLY 127 N 2.63 1.68 3.21 0.55 0.00 -1.26 -5.06 105.19 106.94 1fig n GLY 127 Ca -0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1fig n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fig n SER 128 N 0.00 1.59 -0.09 1.61 7.64 -1.26 -4.88 113.62 118.22 1fig n SER 128 Ca 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.45 1fig n SER 128 Cb 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1fig n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fig n ALA 129 N 7.35 0.00 -3.03 -0.43 0.00 -1.26 -5.16 120.51 117.98 1fig n ALA 129 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 1fig n ALA 129 Cb 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.60 1fig n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fig s ALA 130 N -2.00 1.09 -0.03 0.00 0.00 -1.26 -5.16 121.76 114.40 1fig s ALA 130 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1fig s ALA 130 Cb 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1fig s ALA 130 CO 0.00 0.18 0.30 1.14 0.00 0.00 0.00 175.76 177.37 1fig s GLN 133 N 0.19 0.61 0.00 0.00 0.00 -1.26 -5.06 119.66 114.14 1fig s GLN 133 Ca -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 55.36 55.20 1fig s GLN 133 Cb -0.10 0.27 0.00 0.00 0.00 0.00 0.00 33.01 33.18 1fig s GLN 133 CO 0.01 -0.16 0.00 0.25 0.00 0.00 0.00 175.29 175.39 1fig n THR 134 N 1.52 0.00 -3.69 3.63 -2.24 -1.26 -4.10 114.28 108.14 1fig n THR 134 Ca -0.20 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1fig n THR 134 Cb 0.56 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 1fig n THR 134 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fig s ASN 135 N -0.41 -0.47 0.00 3.42 6.03 -1.26 -5.07 114.94 117.18 1fig s ASN 135 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 52.86 52.62 1fig s ASN 135 Cb 0.00 0.82 0.00 0.00 -3.03 0.00 0.00 41.25 39.04 1fig s ASN 135 CO 0.00 -0.28 0.00 -1.20 -2.03 0.00 0.00 177.10 173.59 1fig n SER 136 N 2.28 0.00 -3.98 3.54 7.64 -1.26 -4.68 113.62 117.16 1fig n SER 136 Ca -0.16 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.42 1fig n SER 136 Cb 0.57 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.61 1fig n SER 136 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1fig s MET 137 N -0.59 1.90 0.29 1.43 0.00 -1.26 -4.61 119.30 116.46 1fig s MET 137 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 55.69 54.43 1fig s MET 137 Cb 0.00 -2.55 -0.10 0.00 0.00 0.00 0.00 34.83 32.18 1fig s MET 137 CO 0.00 -0.51 1.30 0.54 0.00 0.00 0.00 175.02 176.34 1fig s VAL 138 N 1.35 2.89 -0.18 10.11 0.11 -1.15 -4.82 120.40 128.71 1fig s VAL 138 Ca -0.04 0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 59.83 1fig s VAL 138 Cb -0.18 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1fig s VAL 138 CO -0.07 0.18 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.91 1fig s THR 139 N -0.77 3.25 -0.04 5.04 2.01 -1.26 -0.29 115.64 123.58 1fig s THR 139 Ca 0.51 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1fig s THR 139 Cb -0.38 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1fig s THR 139 CO 0.48 0.47 -0.04 -0.76 -0.69 0.00 0.00 174.62 174.07 1fig s LEU 140 N 1.01 3.32 0.05 4.42 1.02 -1.26 -4.88 118.68 122.35 1fig s LEU 140 Ca -0.00 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.21 1fig s LEU 140 Cb -0.15 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 1fig s LEU 140 CO -0.00 0.33 -0.23 -0.83 0.02 0.00 0.00 176.35 175.64 1fig s GLY 141 N -1.16 1.23 -0.00 -3.19 0.00 -1.25 -3.82 107.32 99.12 1fig s GLY 141 Ca 0.15 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1fig s GLY 141 CO 0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 173.10 171.96 1fig s LEU 143 N -0.38 1.67 -0.16 0.00 2.34 -1.01 -1.10 118.68 120.04 1fig s LEU 143 Ca 0.04 -1.41 -0.04 0.00 0.06 0.00 0.00 54.13 52.77 1fig s LEU 143 Cb -0.05 0.03 0.07 0.00 -0.56 0.00 0.00 46.19 45.68 1fig s LEU 143 CO -0.00 -0.75 0.15 -0.69 -1.06 0.00 0.00 176.35 173.99 1fig s VAL 144 N -3.71 -0.20 1.35 1.48 1.01 -1.05 -1.67 120.40 117.62 1fig s VAL 144 Ca 0.37 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 1fig s VAL 144 Cb 0.07 -0.54 0.34 0.00 0.00 0.00 0.00 36.38 36.25 1fig s VAL 144 CO 0.14 -0.16 0.99 -0.75 0.00 0.00 0.00 175.10 175.32 1fig s LYS 145 N 2.23 -2.38 0.12 2.72 2.20 0.11 -1.45 119.74 123.29 1fig s LYS 145 Ca 0.04 0.09 -0.35 0.00 -0.36 0.00 0.00 55.97 55.39 1fig s LYS 145 Cb -0.15 -1.45 -0.16 0.00 -1.51 0.00 0.00 37.83 34.56 1fig s LYS 145 CO -0.09 -4.51 1.22 0.41 -0.36 0.00 0.00 175.35 172.02 1fig n GLY 146 N 0.64 0.16 0.00 5.54 0.00 -1.25 -4.13 105.19 106.15 1fig n GLY 146 Ca 0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1fig n GLY 146 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1fig n TYR 147 N 1.90 0.00 -3.64 1.61 0.18 -0.38 -4.52 117.16 112.31 1fig n TYR 147 Ca 0.17 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.93 1fig n TYR 147 Cb 0.21 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.10 1fig n TYR 147 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1fig s PHE 148 N -1.29 -0.55 0.05 -3.48 2.19 -1.11 -1.69 117.98 112.10 1fig s PHE 148 Ca 0.00 1.11 0.00 0.00 0.33 0.00 0.00 56.93 58.37 1fig s PHE 148 Cb 0.00 0.33 0.01 0.00 -1.31 0.00 0.00 43.02 42.05 1fig s PHE 148 CO 0.00 -0.27 0.07 -2.30 1.83 0.00 0.00 175.22 174.55 1fig n PRO 149 N 3.65 0.80 -3.25 10.12 -0.02 -1.26 -3.38 135.00 141.66 1fig n PRO 149 Ca -0.18 -0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 60.66 1fig n PRO 149 Cb 0.58 -0.03 -0.06 0.00 -0.02 0.00 0.00 33.50 33.96 1fig n PRO 149 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fig s GLU 150 N -2.38 4.24 0.39 -0.52 2.56 -1.26 -4.54 118.70 117.19 1fig s GLU 150 Ca 0.05 0.74 0.08 0.00 0.00 0.00 0.00 54.97 55.83 1fig s GLU 150 Cb -0.00 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.84 1fig s GLU 150 CO 0.03 0.54 0.45 -1.25 -0.56 0.00 0.00 175.26 174.48 1fig s PRO 151 N -0.79 2.77 0.32 4.30 0.04 -1.26 -4.97 135.00 135.41 1fig s PRO 151 Ca 0.30 -1.31 0.03 0.00 0.04 0.00 0.00 61.00 60.06 1fig s PRO 151 Cb -0.19 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 1fig s PRO 151 CO 0.18 -0.13 0.07 0.08 0.04 0.00 0.00 177.00 177.24 1fig s VAL 152 N -2.35 1.01 -0.14 -0.36 1.01 -1.26 -4.44 120.40 113.86 1fig s VAL 152 Ca 0.49 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1fig s VAL 152 Cb -0.07 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1fig s VAL 152 CO 0.30 0.00 0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1fig s THR 153 N -3.38 -0.21 -0.05 3.92 2.01 -0.69 -4.93 115.64 112.31 1fig s THR 153 Ca 0.36 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 1fig s THR 153 Cb 0.08 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1fig s THR 153 CO 0.15 -0.08 0.34 0.68 -0.69 0.00 0.00 174.62 175.02 1fig s VAL 154 N 2.24 5.17 0.05 3.82 -7.23 -1.26 -1.98 120.40 121.21 1fig s VAL 154 Ca 0.04 0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 60.84 1fig s VAL 154 Cb -0.14 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 1fig s VAL 154 CO -0.08 0.56 0.06 0.42 -0.31 0.00 0.00 175.10 175.75 1fig s THR 156 N -0.81 0.16 -0.08 5.32 -4.23 -0.01 -4.93 115.64 111.06 1fig s THR 156 Ca 0.21 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1fig s THR 156 Cb -0.15 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1fig s THR 156 CO 0.10 -0.74 -0.02 0.26 -0.54 0.00 0.00 174.62 173.68 1fig s TRP 157 N -3.21 0.86 -0.40 3.99 0.52 -1.26 0.85 118.94 120.29 1fig s TRP 157 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1fig s TRP 157 Cb 0.02 -0.89 0.00 0.00 -1.15 0.00 0.00 33.47 31.46 1fig s TRP 157 CO -0.07 -0.36 0.00 0.09 0.02 0.00 0.00 176.95 176.63 1fig n ASN 162 N 5.00 -3.85 0.00 2.95 5.03 -0.19 -4.34 115.26 119.86 1fig n ASN 162 Ca -0.10 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1fig n ASN 162 Cb 0.50 -2.71 0.00 0.00 -1.02 0.00 0.00 39.78 36.55 1fig n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1fig n SER 163 N 0.12 0.00 0.00 6.41 7.64 -1.26 -3.67 113.62 122.86 1fig n SER 163 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1fig n SER 163 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1fig n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fig n GLY 164 N 0.00 -0.19 0.00 0.23 0.00 -1.26 -5.01 105.19 98.96 1fig n GLY 164 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1fig n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fig n SER 165 N 0.00 0.00 -3.39 1.61 7.64 -1.24 -2.23 113.62 116.01 1fig n SER 165 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1fig n SER 165 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1fig n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fig s LEU 166 N -1.80 0.43 -0.82 -3.43 1.02 -1.26 -4.96 118.68 107.86 1fig s LEU 166 Ca 0.00 -1.95 -0.07 0.00 0.02 0.00 0.00 54.13 52.14 1fig s LEU 166 Cb 0.00 0.14 0.21 0.00 0.02 0.00 0.00 46.19 46.56 1fig s LEU 166 CO 0.00 -0.27 0.71 -0.44 0.02 0.00 0.00 176.35 176.38 1fig s SER 167 N 1.16 6.15 0.00 2.29 0.01 -0.95 -4.37 113.70 117.99 1fig s SER 167 Ca 0.19 -3.14 0.00 0.00 1.31 0.00 0.00 55.95 54.31 1fig s SER 167 Cb -0.17 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1fig s SER 167 CO -0.02 -0.37 0.00 -1.20 0.41 0.00 0.00 173.24 172.06 1fig n SER 168 N 3.21 0.00 -3.47 2.44 7.64 -1.26 -4.89 113.62 117.29 1fig n SER 168 Ca 0.15 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.65 1fig n SER 168 Cb 0.40 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1fig n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fig n GLY 169 N 5.00 1.70 3.71 0.23 0.00 -1.26 -4.90 105.19 109.67 1fig n GLY 169 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1fig n GLY 169 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fig s VAL 171 N 5.68 3.19 -0.24 1.61 -7.23 -1.25 -3.86 120.40 118.30 1fig s VAL 171 Ca 0.55 0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 61.46 1fig s VAL 171 Cb 0.13 -3.50 0.13 0.00 0.56 0.00 0.00 36.38 33.70 1fig s VAL 171 CO 0.19 0.04 0.42 -1.00 -0.31 0.00 0.00 175.10 174.44 1fig s HIS 172 N 1.66 -0.92 -0.12 2.82 3.76 -1.24 -5.03 115.29 116.21 1fig s HIS 172 Ca 0.67 1.17 -0.03 0.00 -0.15 0.00 0.00 55.06 56.72 1fig s HIS 172 Cb -0.38 0.18 -0.03 0.00 1.11 0.00 0.00 32.58 33.46 1fig s HIS 172 CO 0.30 -0.67 -0.02 0.99 -0.85 0.00 0.00 174.74 174.50 1fig s THR 173 N 2.61 4.11 -0.17 1.30 2.01 -1.26 -0.80 115.64 123.43 1fig s THR 173 Ca 0.09 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 1fig s THR 173 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1fig s THR 173 CO -0.16 0.54 0.32 -0.36 -0.69 0.00 0.00 174.62 174.28 1fig s PHE 174 N -0.22 3.44 0.42 4.92 0.08 -0.87 -5.02 117.98 120.72 1fig s PHE 174 Ca 0.05 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.70 1fig s PHE 174 Cb -0.13 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1fig s PHE 174 CO 0.02 0.18 0.00 -2.30 -0.10 0.00 0.00 175.22 173.02 1fig n PRO 175 N 3.79 1.74 -4.30 0.24 -0.02 -1.26 -4.07 135.00 131.11 1fig n PRO 175 Ca -0.11 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.16 1fig n PRO 175 Cb 0.52 -0.83 -0.11 0.00 -0.02 0.00 0.00 33.50 33.05 1fig n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fig s ALA 176 N -1.74 1.83 0.28 3.55 0.00 -1.25 -4.65 121.76 119.78 1fig s ALA 176 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.63 1fig s ALA 176 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1fig s ALA 176 CO 0.00 0.21 0.35 0.08 0.00 0.00 0.00 175.76 176.40 1fig s VAL 177 N -1.95 4.49 -0.51 0.00 1.01 -1.26 -4.91 120.40 117.28 1fig s VAL 177 Ca 0.12 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 1fig s VAL 177 Cb -0.06 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1fig s VAL 177 CO 0.05 -0.26 0.99 -0.22 0.00 0.00 0.00 175.10 175.66 1fig s LEU 178 N -4.01 3.93 0.00 3.92 0.20 -1.26 -3.33 118.68 118.13 1fig s LEU 178 Ca 0.38 -0.02 0.27 0.00 0.69 0.00 0.00 54.13 55.46 1fig s LEU 178 Cb -0.08 -3.10 0.94 0.00 -0.43 0.00 0.00 46.19 43.52 1fig s LEU 178 CO 0.28 -1.19 1.70 0.00 -0.29 0.00 0.00 176.35 176.86 1fig n GLN 179 N 7.50 0.18 0.03 1.98 10.64 -0.19 -4.67 117.38 132.85 1fig n GLN 179 Ca 0.05 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1fig n GLN 179 Cb 0.48 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 1fig n GLN 179 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1fig n SER 180 N -1.35 -0.63 0.00 2.61 3.41 -1.26 -5.03 113.62 111.37 1fig n SER 180 Ca 0.08 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1fig n SER 180 Cb 0.32 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1fig n SER 180 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fig n ASP 183 N -2.62 0.00 0.00 4.04 -0.08 -1.26 -5.14 116.55 111.50 1fig n ASP 183 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1fig n ASP 183 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1fig n ASP 183 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1fig n LEU 184 N 0.00 0.00 -4.89 -2.67 4.77 -1.25 -4.61 117.00 108.35 1fig n LEU 184 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1fig n LEU 184 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1fig n LEU 184 CO 0.00 0.00 0.28 -0.31 -1.33 0.00 0.00 177.39 176.03 1fig s TYR 185 N 0.00 3.47 -0.00 -1.77 1.51 -0.68 -1.03 117.35 118.84 1fig s TYR 185 Ca 0.00 0.81 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 1fig s TYR 185 Cb 0.00 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1fig s TYR 185 CO 0.00 0.10 -0.11 0.99 -1.11 0.00 0.00 175.55 175.42 1fig s THR 186 N -2.14 0.87 0.42 -0.71 2.01 -1.21 -1.25 115.64 113.64 1fig s THR 186 Ca 0.47 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1fig s THR 186 Cb -0.11 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1fig s THR 186 CO 0.29 0.22 0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 1fig s LEU 187 N -0.34 2.12 -0.15 4.42 2.96 -0.53 -3.93 118.68 123.23 1fig s LEU 187 Ca 0.04 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 52.02 1fig s LEU 187 Cb -0.05 -0.32 0.12 0.00 0.50 0.00 0.00 46.19 46.44 1fig s LEU 187 CO -0.00 -0.86 0.95 -0.44 -1.32 0.00 0.00 176.35 174.68 1fig s SER 188 N -3.66 -0.42 -0.04 3.68 0.01 -1.26 -2.53 113.70 109.47 1fig s SER 188 Ca 0.21 0.49 -0.19 0.00 1.31 0.00 0.00 55.95 57.78 1fig s SER 188 Cb 0.03 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.69 1fig s SER 188 CO 0.12 -0.37 0.41 -0.55 0.41 0.00 0.00 173.24 173.26 1fig s SER 189 N -1.01 -0.34 0.31 2.44 0.15 -0.26 -2.04 113.70 112.95 1fig s SER 189 Ca -0.03 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1fig s SER 189 Cb -0.01 0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1fig s SER 189 CO 0.02 -0.44 0.06 -0.94 1.20 0.00 0.00 173.24 173.14 1fig s SER 190 N -1.07 2.11 0.35 5.45 1.04 0.02 -2.76 113.70 118.85 1fig s SER 190 Ca -0.11 -1.37 -0.06 0.00 0.48 0.00 0.00 55.95 54.89 1fig s SER 190 Cb -0.04 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1fig s SER 190 CO 0.05 -0.62 0.58 0.55 0.98 0.00 0.00 173.24 174.77 1fig n VAL 191 N -0.63 0.00 -3.15 5.02 3.14 -1.25 -3.71 118.33 117.75 1fig n VAL 191 Ca -0.02 -1.44 0.05 0.00 -2.96 0.00 0.00 64.34 59.97 1fig n VAL 191 Cb 0.66 1.02 -0.01 0.00 -1.06 0.00 0.00 33.84 34.46 1fig n VAL 191 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1fig s THR 192 N -2.56 -0.72 -0.04 1.55 2.01 -1.26 -4.44 115.64 110.19 1fig s THR 192 Ca 0.23 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 1fig s THR 192 Cb -0.02 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1fig s THR 192 CO 0.17 0.00 0.02 0.54 -0.69 0.00 0.00 174.62 174.66 1fig s VAL 193 N 2.89 4.33 -0.30 3.82 0.11 0.60 -4.04 120.40 127.81 1fig s VAL 193 Ca 0.14 -0.42 -0.36 0.00 -2.93 0.00 0.00 61.98 58.42 1fig s VAL 193 Cb -0.10 -2.90 -0.12 0.00 -1.53 0.00 0.00 36.38 31.73 1fig s VAL 193 CO -0.21 0.47 2.08 -2.65 -3.33 0.00 0.00 175.10 171.45 1fig n PRO 194 N 1.66 1.23 0.00 1.54 -0.02 -1.26 -2.94 135.00 135.21 1fig n PRO 194 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1fig n PRO 194 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1fig n PRO 194 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1fig n SER 195 N 8.70 0.00 0.00 2.55 7.64 -1.26 0.49 113.62 131.74 1fig n SER 195 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1fig n SER 195 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1fig n SER 195 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1fig n SER 196 N -0.03 2.74 0.13 6.43 3.41 -1.26 -4.54 113.62 120.50 1fig n SER 196 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1fig n SER 196 Cb 0.00 0.01 0.38 0.00 -0.26 0.00 0.00 64.21 64.35 1fig n SER 196 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1fig h THR 198 N 0.00 1.19 -3.65 6.66 2.02 -0.31 -3.36 112.91 115.45 1fig h THR 198 Ca 0.00 -0.87 -0.68 0.00 0.77 0.00 0.00 66.41 65.63 1fig h THR 198 Cb 0.68 1.31 -0.18 0.00 -1.74 0.00 0.00 68.15 68.22 1fig h THR 198 CO 0.00 0.27 -0.72 0.86 0.37 0.00 0.00 175.52 176.30 1fig s TRP 199 N -4.62 2.84 -0.87 3.16 -0.11 -0.72 -2.28 118.94 116.33 1fig s TRP 199 Ca -0.05 -0.07 0.27 0.00 1.22 0.00 0.00 56.10 57.47 1fig s TRP 199 Cb 0.15 -1.58 0.88 0.00 -1.50 0.00 0.00 33.47 31.42 1fig s TRP 199 CO 0.73 0.36 1.73 -0.35 -4.62 0.00 0.00 176.95 174.80 1fig n PRO 200 N 1.51 0.12 0.30 5.86 -0.05 -1.26 -4.36 135.00 137.12 1fig n PRO 200 Ca -0.15 0.08 0.18 0.00 -0.05 0.00 0.00 63.50 63.56 1fig n PRO 200 Cb 0.52 -1.62 1.02 0.00 -0.05 0.00 0.00 33.50 33.37 1fig n PRO 200 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 1fig h SER 202 N 0.00 0.00 -3.42 3.54 0.02 -1.73 -3.32 113.55 108.64 1fig h SER 202 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1fig h SER 202 Cb 0.60 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.76 1fig h SER 202 CO 0.00 0.00 -0.78 -1.61 -1.14 0.00 0.00 176.83 173.30 1fig s GLU 203 N -4.42 1.24 0.31 3.45 8.01 -0.97 -5.11 118.70 121.22 1fig s GLU 203 Ca -0.05 -0.65 -0.29 0.00 0.01 0.00 0.00 54.97 53.99 1fig s GLU 203 Cb 0.14 -2.23 -0.11 0.00 -4.31 0.00 0.00 34.13 27.61 1fig s GLU 203 CO 0.48 -0.56 1.52 -0.08 0.01 0.00 0.00 175.26 176.63 1fig s THR 204 N 1.62 2.21 -0.02 3.63 -1.32 -1.25 -4.06 115.64 116.46 1fig s THR 204 Ca -0.02 0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 1fig s THR 204 Cb -0.17 -3.12 -0.04 0.00 -1.51 0.00 0.00 72.50 67.66 1fig s THR 204 CO -0.07 0.04 0.19 -0.69 -2.21 0.00 0.00 174.62 171.87 1fig s VAL 205 N -0.35 5.43 0.22 5.08 1.01 -0.59 -4.97 120.40 126.23 1fig s VAL 205 Ca 0.59 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.61 1fig s VAL 205 Cb -0.46 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1fig s VAL 205 CO 0.51 0.38 -0.04 -0.89 0.00 0.00 0.00 175.10 175.05 1fig s THR 206 N -1.28 3.36 0.12 3.92 2.01 -1.26 -1.70 115.64 120.81 1fig s THR 206 Ca 0.25 -1.78 0.08 0.00 0.31 0.00 0.00 61.69 60.56 1fig s THR 206 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1fig s THR 206 CO 0.16 -0.25 -0.20 0.00 -0.69 0.00 0.00 174.62 173.64 1fig s ASN 209 N -2.16 0.01 0.02 0.00 0.01 0.25 -0.20 114.94 112.87 1fig s ASN 209 Ca 0.09 -0.19 -0.09 0.00 -0.71 0.00 0.00 52.86 51.96 1fig s ASN 209 Cb -0.08 0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.79 1fig s ASN 209 CO 0.05 -0.38 0.19 -0.69 -1.51 0.00 0.00 177.10 174.76 1fig s VAL 210 N -1.38 0.09 0.04 1.60 1.01 0.11 -0.83 120.40 121.04 1fig s VAL 210 Ca -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1fig s VAL 210 Cb -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1fig s VAL 210 CO 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 175.10 174.64 1fig s ALA 211 N -1.91 0.40 -0.34 5.51 0.00 -0.84 -1.29 121.76 123.29 1fig s ALA 211 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1fig s ALA 211 Cb -0.04 0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.33 1fig s ALA 211 CO -0.00 -0.10 0.40 -1.58 0.00 0.00 0.00 175.76 174.48 1fig s HIS 212 N -1.58 -0.65 0.00 0.00 2.46 -0.64 -1.70 115.29 113.17 1fig s HIS 212 Ca -0.11 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.08 1fig s HIS 212 Cb -0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.09 1fig s HIS 212 CO -0.01 -0.99 0.55 -2.30 -2.47 0.00 0.00 174.74 169.52 1fig n PRO 213 N 4.68 0.00 0.00 2.88 -0.02 -1.26 -1.79 135.00 139.49 1fig n PRO 213 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1fig n PRO 213 Cb 0.48 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1fig n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fig n ALA 214 N -2.30 1.67 -1.98 3.55 0.00 -1.26 -0.81 120.51 119.38 1fig n ALA 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fig n ALA 214 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1fig n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fig n SER 215 N 0.65 0.00 -0.06 0.00 3.41 -0.74 -4.69 113.62 112.19 1fig n SER 215 Ca 0.00 -1.42 -0.01 0.00 -0.26 0.00 0.00 58.87 57.18 1fig n SER 215 Cb 0.12 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1fig n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fig n SER 216 N 0.00 -4.06 -4.82 4.04 7.64 0.01 -4.83 113.62 111.61 1fig n SER 216 Ca 0.00 0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.55 1fig n SER 216 Cb 0.58 -2.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.15 1fig n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fig s THR 217 N -0.74 4.43 -0.14 0.44 2.01 -0.90 -4.91 115.64 115.84 1fig s THR 217 Ca 0.00 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 63.36 1fig s THR 217 Cb 0.00 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.87 1fig s THR 217 CO 0.00 -0.16 0.31 -0.75 -0.69 0.00 0.00 174.62 173.34 1fig s LYS 218 N -2.82 0.23 -0.04 4.92 2.47 -1.24 -1.62 119.74 121.65 1fig s LYS 218 Ca 0.56 0.77 0.01 0.00 -1.56 0.00 0.00 55.97 55.75 1fig s LYS 218 Cb -0.12 0.02 0.02 0.00 -1.46 0.00 0.00 37.83 36.30 1fig s LYS 218 CO 0.17 -0.23 -0.03 0.08 0.16 0.00 0.00 175.35 175.49 1fig s VAL 219 N 2.05 0.45 -0.15 4.02 1.01 -0.41 -4.94 120.40 122.42 1fig s VAL 219 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1fig s VAL 219 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1fig s VAL 219 CO -0.10 0.20 -0.21 -1.81 0.00 0.00 0.00 175.10 173.19 1fig s ASP 220 N 0.94 3.20 0.02 3.32 1.01 -1.26 0.09 116.67 123.99 1fig s ASP 220 Ca -0.11 -0.59 0.05 0.00 0.71 0.00 0.00 52.55 52.61 1fig s ASP 220 Cb -0.14 -1.47 -0.02 0.00 1.01 0.00 0.00 42.92 42.30 1fig s ASP 220 CO -0.00 0.07 -0.14 -0.54 0.21 0.00 0.00 175.17 174.77 1fig s LYS 221 N 0.86 0.98 -0.10 8.23 -0.14 0.72 -4.95 119.74 125.35 1fig s LYS 221 Ca -0.06 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 1fig s LYS 221 Cb -0.15 -0.97 -0.01 0.00 -1.68 0.00 0.00 37.83 35.01 1fig s LYS 221 CO -0.03 0.25 -0.19 0.15 -0.76 0.00 0.00 175.35 174.77 1fig s LYS 222 N -0.86 3.03 0.00 1.68 1.02 -1.26 0.19 119.74 123.54 1fig s LYS 222 Ca 0.03 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1fig s LYS 222 Cb -0.07 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1fig s LYS 222 CO 0.01 0.27 0.00 0.44 -0.92 0.00 0.00 175.35 175.15