#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9k s THR 2 N 0.00 4.27 -0.04 0.00 2.01 -1.26 -3.27 115.64 117.35 1f9k s THR 2 Ca 0.00 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 1f9k s THR 2 Cb 0.00 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1f9k s THR 2 CO 0.00 -0.10 0.03 -1.10 -0.69 0.00 0.00 174.62 172.77 1f9k s GLN 3 N -3.02 0.11 -0.21 4.92 -0.21 -1.03 -5.02 119.66 115.21 1f9k s GLN 3 Ca 0.30 0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.86 1f9k s GLN 3 Cb -0.10 -0.54 0.10 0.00 1.00 0.00 0.00 33.01 33.47 1f9k s GLN 3 CO 0.22 -0.26 0.42 -1.12 -2.12 0.00 0.00 175.29 172.42 1f9k s SER 4 N 1.75 -0.21 0.20 5.90 0.01 -1.26 -0.84 113.70 119.25 1f9k s SER 4 Ca -0.00 0.90 0.08 0.00 1.31 0.00 0.00 55.95 58.24 1f9k s SER 4 Cb -0.12 1.34 -0.04 0.00 0.21 0.00 0.00 66.02 67.40 1f9k s SER 4 CO -0.03 -0.24 0.00 0.72 0.41 0.00 0.00 173.24 174.10 1f9k s PHE 5 N 2.61 2.81 -0.10 2.43 -0.12 -0.95 -4.98 117.98 119.67 1f9k s PHE 5 Ca 0.00 -0.16 -0.07 0.00 -0.05 0.00 0.00 56.93 56.66 1f9k s PHE 5 Cb -0.12 -1.33 0.04 0.00 -0.63 0.00 0.00 43.02 40.98 1f9k s PHE 5 CO -0.13 0.54 0.26 1.21 -0.05 0.00 0.00 175.22 177.05 1f9k s ASN 6 N -3.16 -0.28 -0.53 1.98 2.47 -1.26 -1.35 114.94 112.81 1f9k s ASN 6 Ca 0.28 0.54 0.04 0.00 0.42 0.00 0.00 52.86 54.14 1f9k s ASN 6 Cb -0.08 0.47 0.15 0.00 -1.45 0.00 0.00 41.25 40.33 1f9k s ASN 6 CO 0.19 -0.14 0.34 -0.36 -3.72 0.00 0.00 177.10 173.41 1f9k s PHE 7 N 0.85 2.57 0.51 0.43 0.08 0.02 -4.92 117.98 117.51 1f9k s PHE 7 Ca -0.06 -2.83 0.39 0.00 0.12 0.00 0.00 56.93 54.55 1f9k s PHE 7 Cb -0.07 -2.18 2.03 0.00 -0.57 0.00 0.00 43.02 42.23 1f9k s PHE 7 CO -0.05 -0.71 2.24 0.38 -0.10 0.00 0.00 175.22 176.98 1f9k h ASP 8 N 6.12 0.00 -4.97 1.36 2.03 -1.89 -2.23 116.42 116.83 1f9k h ASP 8 Ca 0.06 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.38 1f9k h ASP 8 Cb 0.86 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.25 1f9k h ASP 8 CO 0.58 0.02 0.25 -1.38 -1.03 0.00 0.00 179.24 177.67 1f9k s HIS 9 N -4.09 -0.45 -0.12 4.15 -3.43 -1.26 -4.62 115.29 105.46 1f9k s HIS 9 Ca -0.03 0.20 -0.05 0.00 -0.80 0.00 0.00 55.06 54.38 1f9k s HIS 9 Cb 0.12 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.82 1f9k s HIS 9 CO 0.47 -0.89 0.05 -0.06 -2.00 0.00 0.00 174.74 172.32 1f9k s PHE 10 N -3.70 3.28 -0.07 0.38 0.08 0.65 -5.02 117.98 113.58 1f9k s PHE 10 Ca 0.03 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.32 1f9k s PHE 10 Cb -0.02 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1f9k s PHE 10 CO -0.09 0.42 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.32 1f9k s GLU 11 N -0.51 2.71 0.47 0.44 2.12 -1.26 -4.36 118.70 118.31 1f9k s GLU 11 Ca 0.10 -0.68 -0.24 0.00 0.36 0.00 0.00 54.97 54.51 1f9k s GLU 11 Cb -0.12 -2.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.75 1f9k s GLU 11 CO 0.02 0.54 1.31 -1.21 -0.54 0.00 0.00 175.26 175.37 1f9k s GLU 12 N -0.50 3.62 -1.68 4.30 2.02 -1.26 -2.63 118.70 122.57 1f9k s GLU 12 Ca 0.07 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1f9k s GLU 12 Cb -0.12 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1f9k s GLU 12 CO 0.02 -0.77 0.00 0.09 0.02 0.00 0.00 175.26 174.62 1f9k n ASN 13 N -0.42 -4.91 -4.61 -0.19 4.13 -1.26 -4.91 115.26 103.09 1f9k n ASN 13 Ca 0.07 0.39 -0.43 0.00 1.68 0.00 0.00 54.58 56.29 1f9k n ASN 13 Cb 0.45 -3.81 -0.03 0.00 -1.54 0.00 0.00 39.78 34.85 1f9k n ASN 13 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1f9k s SER 14 N -2.83 5.68 0.00 6.41 0.15 -1.08 -4.82 113.70 117.22 1f9k s SER 14 Ca 0.00 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1f9k s SER 14 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1f9k s SER 14 CO 0.00 -1.78 0.28 2.29 1.20 0.00 0.00 173.24 175.22 1f9k n LYS 15 N 8.51 0.47 0.00 5.44 0.00 -1.26 -2.17 118.16 129.15 1f9k n LYS 15 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1f9k n LYS 15 Cb 0.45 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.24 1f9k n LYS 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1f9k n GLU 16 N 0.35 -0.31 -4.38 -1.58 1.02 -1.26 -4.89 120.64 109.59 1f9k n GLU 16 Ca 0.00 -0.58 -0.23 0.00 -0.02 0.00 0.00 57.16 56.34 1f9k n GLU 16 Cb 0.14 -0.93 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 1f9k n GLU 16 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1f9k s LEU 17 N -0.14 1.50 -0.81 -4.62 2.96 -0.92 -1.78 118.68 114.87 1f9k s LEU 17 Ca 0.00 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1f9k s LEU 17 Cb 0.00 -0.66 0.21 0.00 0.50 0.00 0.00 46.19 46.24 1f9k s LEU 17 CO 0.00 -0.01 0.72 0.54 -1.32 0.00 0.00 176.35 176.28 1f9k s ASN 18 N 0.80 6.43 0.28 3.68 4.22 0.18 -4.87 114.94 125.67 1f9k s ASN 18 Ca -0.13 -2.83 -0.29 0.00 -2.14 0.00 0.00 52.86 47.47 1f9k s ASN 18 Cb -0.15 -2.12 -0.10 0.00 1.28 0.00 0.00 41.25 40.16 1f9k s ASN 18 CO 0.02 -0.49 1.25 -0.76 -2.04 0.00 0.00 177.10 175.07 1f9k s LEU 19 N -0.05 4.46 -0.03 3.54 1.43 -1.26 -2.64 118.68 124.13 1f9k s LEU 19 Ca 0.19 2.49 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1f9k s LEU 19 Cb -0.12 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1f9k s LEU 19 CO -0.08 -0.42 -0.13 -1.10 0.23 0.00 0.00 176.35 174.85 1f9k s GLN 20 N -1.24 1.29 7.29 1.70 -0.21 -0.39 -5.00 119.66 123.11 1f9k s GLN 20 Ca 0.50 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.42 1f9k s GLN 20 Cb -0.37 -1.17 0.00 0.00 1.00 0.00 0.00 33.01 32.47 1f9k s GLN 20 CO 0.46 0.20 0.00 0.54 -2.12 0.00 0.00 175.29 174.37 1f9k n ARG 21 N 3.12 0.00 0.06 2.91 1.74 -1.26 -2.62 116.66 120.61 1f9k n ARG 21 Ca -0.17 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.97 1f9k n ARG 21 Cb 0.54 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.27 1f9k n ARG 21 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1f9k n GLN 22 N 13.91 0.07 -2.02 5.56 1.13 -0.37 -4.77 117.38 130.89 1f9k n GLN 22 Ca 0.00 0.47 -0.42 0.00 -1.94 0.00 0.00 57.00 55.11 1f9k n GLN 22 Cb 0.00 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 28.65 1f9k n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f9k s ALA 23 N -3.19 3.67 0.20 -1.58 0.00 -1.10 -4.55 121.76 115.22 1f9k s ALA 23 Ca 0.02 1.30 -0.20 0.00 0.00 0.00 0.00 51.96 53.07 1f9k s ALA 23 Cb 0.05 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1f9k s ALA 23 CO 0.17 -0.72 0.60 -1.54 0.00 0.00 0.00 175.76 174.26 1f9k s SER 24 N 0.73 -0.36 -0.36 0.00 1.04 -0.66 -4.55 113.70 109.54 1f9k s SER 24 Ca 0.63 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1f9k s SER 24 Cb -0.41 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1f9k s SER 24 CO 0.37 -1.10 0.20 -0.63 0.98 0.00 0.00 173.24 173.06 1f9k s ILE 25 N -3.84 4.63 1.12 -1.02 1.01 -1.26 -0.65 121.20 121.19 1f9k s ILE 25 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1f9k s ILE 25 Cb -0.02 -3.52 0.26 0.00 0.01 0.00 0.00 42.46 39.19 1f9k s ILE 25 CO -0.04 -0.15 1.04 -1.59 0.00 0.00 0.00 174.94 174.20 1f9k s LYS 26 N 1.58 -0.59 0.00 2.79 0.00 -0.35 -4.88 119.74 118.29 1f9k s LYS 26 Ca 0.03 0.78 0.24 0.00 0.00 0.00 0.00 55.97 57.02 1f9k s LYS 26 Cb -0.19 -1.60 1.11 0.00 0.00 0.00 0.00 37.83 37.16 1f9k s LYS 26 CO 0.07 -3.49 1.79 0.45 0.00 0.00 0.00 175.35 174.17 1f9k n SER 27 N -4.74 0.00 0.13 0.03 2.88 -1.26 -2.90 113.62 107.76 1f9k n SER 27 Ca 0.04 0.28 -0.02 0.00 -1.33 0.00 0.00 58.87 57.84 1f9k n SER 27 Cb 0.55 -0.42 0.16 0.00 -0.75 0.00 0.00 64.21 63.75 1f9k n SER 27 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1f9k h ASN 28 N 0.00 0.00 0.00 -3.46 2.35 -1.95 -3.46 115.58 109.07 1f9k h ASN 28 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f9k h ASN 28 Cb 0.35 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1f9k h ASN 28 CO 0.00 0.64 0.00 0.61 -1.65 0.00 0.00 177.43 177.03 1f9k n GLY 29 N 0.29 1.21 3.88 2.83 0.00 -1.14 -4.96 105.19 107.31 1f9k n GLY 29 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1f9k n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f9k s VAL 30 N -2.00 5.37 -0.35 1.61 1.01 -1.26 -0.25 120.40 124.54 1f9k s VAL 30 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1f9k s VAL 30 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1f9k s VAL 30 CO 0.00 0.42 0.42 -0.22 0.00 0.00 0.00 175.10 175.72 1f9k s LEU 31 N -1.62 4.42 -0.44 3.92 2.96 -0.53 -1.21 118.68 126.18 1f9k s LEU 31 Ca 0.23 -0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.80 1f9k s LEU 31 Cb -0.12 -2.43 0.04 0.00 0.50 0.00 0.00 46.19 44.18 1f9k s LEU 31 CO 0.13 -0.39 0.43 -0.70 -1.32 0.00 0.00 176.35 174.50 1f9k s GLU 32 N 2.15 3.05 0.13 1.98 2.12 0.18 -0.70 118.70 127.61 1f9k s GLU 32 Ca 0.14 -0.94 -0.09 0.00 0.36 0.00 0.00 54.97 54.43 1f9k s GLU 32 Cb -0.16 -4.02 -0.08 0.00 0.26 0.00 0.00 34.13 30.13 1f9k s GLU 32 CO 0.12 -0.92 1.36 -0.07 -0.54 0.00 0.00 175.26 175.22 1f9k h LEU 33 N 9.00 0.83 -8.82 2.70 3.38 -1.51 -1.75 115.31 119.15 1f9k h LEU 33 Ca -0.27 -0.52 -0.47 0.00 0.09 0.00 0.00 57.88 56.70 1f9k h LEU 33 Cb 1.11 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 1f9k h LEU 33 CO 0.82 1.31 -0.76 0.42 0.09 0.00 0.00 178.44 180.32 1f9k s THR 34 N -3.79 1.70 -0.09 0.22 -4.23 -1.26 -3.07 115.64 105.12 1f9k s THR 34 Ca -0.09 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1f9k s THR 34 Cb 0.09 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1f9k s THR 34 CO 0.89 -0.46 -0.01 -1.59 -0.54 0.00 0.00 174.62 172.91 1f9k s LYS 35 N -3.15 3.02 -0.00 3.99 -2.85 -1.26 -4.68 119.74 114.81 1f9k s LYS 35 Ca 0.18 -0.42 0.10 0.00 -1.00 0.00 0.00 55.97 54.83 1f9k s LYS 35 Cb -0.03 -2.79 -0.12 0.00 -2.06 0.00 0.00 37.83 32.83 1f9k s LYS 35 CO 0.06 0.66 0.43 -0.11 0.10 0.00 0.00 175.35 176.50 1f9k n LEU 36 N 2.26 0.46 -2.73 2.77 0.00 -1.26 -4.76 117.00 113.74 1f9k n LEU 36 Ca -0.18 -0.47 -0.06 0.00 0.00 0.00 0.00 56.01 55.29 1f9k n LEU 36 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 43.42 44.01 1f9k n LEU 36 CO 0.29 0.12 0.30 0.35 0.00 0.00 0.00 177.39 178.45 1f9k n THR 37 N -1.28 0.00 -2.19 1.96 -2.24 -1.26 -2.96 114.28 106.30 1f9k n THR 37 Ca 0.02 -1.17 -0.41 0.00 -2.27 0.00 0.00 64.05 60.22 1f9k n THR 37 Cb 0.17 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1f9k n THR 37 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1f9k s LYS 38 N 0.58 4.39 0.00 -0.78 2.20 -1.06 -2.87 119.74 122.20 1f9k s LYS 38 Ca 0.30 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1f9k s LYS 38 Cb 0.19 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1f9k s LYS 38 CO -0.18 -0.23 0.00 0.27 -0.36 0.00 0.00 175.35 174.85 1f9k n ASN 39 N 2.18 -2.30 0.00 1.43 6.94 -1.26 -2.52 115.26 119.73 1f9k n ASN 39 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 1f9k n ASN 39 Cb 0.42 -2.36 0.00 0.00 -2.36 0.00 0.00 39.78 35.49 1f9k n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f9k n GLY 40 N -1.07 3.10 3.76 4.83 0.00 -1.14 -5.07 105.19 109.60 1f9k n GLY 40 Ca 0.00 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1f9k n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f9k s VAL 41 N -0.37 3.90 1.02 1.61 0.11 -1.05 -4.94 120.40 120.69 1f9k s VAL 41 Ca 0.00 1.82 -0.13 0.00 -2.93 0.00 0.00 61.98 60.74 1f9k s VAL 41 Cb 0.00 -4.12 0.14 0.00 -1.53 0.00 0.00 36.38 30.87 1f9k s VAL 41 CO 0.00 0.36 0.69 -0.81 -3.33 0.00 0.00 175.10 172.01 1f9k n PRO 42 N 1.13 -1.06 -3.70 1.54 -0.04 -1.26 -2.57 135.00 129.04 1f9k n PRO 42 Ca -0.01 -0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.05 1f9k n PRO 42 Cb 0.47 -2.05 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 1f9k n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f9k s VAL 43 N -2.44 0.05 0.37 0.52 1.01 -1.15 -4.66 120.40 114.10 1f9k s VAL 43 Ca 0.62 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1f9k s VAL 43 Cb -0.21 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1f9k s VAL 43 CO 0.64 -0.21 0.20 -2.67 0.00 0.00 0.00 175.10 173.06 1f9k n TRP 44 N 1.09 -0.24 -4.13 5.22 -0.00 -1.26 -4.65 117.44 113.48 1f9k n TRP 44 Ca -0.21 -2.65 -0.34 0.00 -0.00 0.00 0.00 57.50 54.30 1f9k n TRP 44 Cb 0.57 0.11 -0.01 0.00 -0.00 0.00 0.00 31.31 31.98 1f9k n TRP 44 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1f9k n LYS 45 N -0.79 -3.87 -3.18 -2.67 0.00 0.98 -4.94 118.16 103.69 1f9k n LYS 45 Ca -0.00 0.44 -0.32 0.00 -0.00 0.00 0.00 58.31 58.42 1f9k n LYS 45 Cb 0.60 -5.20 -0.06 0.00 -0.00 0.00 0.00 35.03 30.37 1f9k n LYS 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1f9k s SER 46 N -3.33 6.74 -0.08 -5.58 0.15 -1.25 -4.88 113.70 105.47 1f9k s SER 46 Ca 0.70 1.21 -0.07 0.00 0.70 0.00 0.00 55.95 58.49 1f9k s SER 46 Cb -0.37 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1f9k s SER 46 CO 0.90 -0.19 0.21 -0.89 1.20 0.00 0.00 173.24 174.47 1f9k s THR 47 N -1.97 -0.01 -0.07 6.45 2.01 -1.26 -1.00 115.64 119.79 1f9k s THR 47 Ca 0.53 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 1f9k s THR 47 Cb -0.10 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.13 1f9k s THR 47 CO 0.18 0.02 0.37 -0.83 -0.69 0.00 0.00 174.62 173.67 1f9k s GLY 48 N 0.41 -0.24 -0.00 4.40 0.00 -0.75 -1.24 107.32 109.90 1f9k s GLY 48 Ca -0.02 0.74 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 1f9k s GLY 48 CO -0.02 0.54 0.10 0.50 0.00 0.00 0.00 173.10 174.22 1f9k s ARG 49 N -0.65 0.37 -0.20 2.90 0.52 -1.08 -1.53 118.95 119.29 1f9k s ARG 49 Ca -0.07 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1f9k s ARG 49 Cb -0.04 0.15 0.05 0.00 0.52 0.00 0.00 34.95 35.64 1f9k s ARG 49 CO 0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 175.30 175.25 1f9k s ALA 50 N -1.08 1.45 0.01 2.13 0.00 0.64 -1.26 121.76 123.64 1f9k s ALA 50 Ca -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1f9k s ALA 50 Cb -0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1f9k s ALA 50 CO 0.01 -1.05 0.02 -0.51 0.00 0.00 0.00 175.76 174.23 1f9k s LEU 51 N 1.64 3.59 0.06 0.00 1.02 -1.08 -1.48 118.68 122.43 1f9k s LEU 51 Ca -0.02 0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.84 1f9k s LEU 51 Cb -0.17 -2.09 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 1f9k s LEU 51 CO -0.07 0.27 1.16 -0.47 0.02 0.00 0.00 176.35 177.26 1f9k s TYR 52 N -1.13 3.48 0.18 0.29 5.04 -0.77 0.51 117.35 124.96 1f9k s TYR 52 Ca 0.21 1.38 -0.22 0.00 -2.44 0.00 0.00 57.07 55.99 1f9k s TYR 52 Cb -0.12 -3.37 0.10 0.00 0.35 0.00 0.00 41.96 38.93 1f9k s TYR 52 CO 0.12 -1.05 1.58 0.00 -1.34 0.00 0.00 175.55 174.85 1f9k h ALA 53 N 6.69 -0.13 -2.65 3.97 0.00 -1.69 -3.42 119.26 122.04 1f9k h ALA 53 Ca -0.42 0.16 -0.49 0.00 0.00 0.00 0.00 54.91 54.16 1f9k h ALA 53 Cb 1.21 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1f9k h ALA 53 CO 0.80 -0.73 0.38 -1.21 0.00 0.00 0.00 179.25 178.49 1f9k s GLU 54 N -5.93 4.65 0.36 0.00 0.41 -1.26 -5.03 118.70 111.89 1f9k s GLU 54 Ca -0.14 1.52 -0.20 0.00 -0.41 0.00 0.00 54.97 55.73 1f9k s GLU 54 Cb 0.15 -3.03 -0.10 0.00 -1.78 0.00 0.00 34.13 29.37 1f9k s GLU 54 CO 0.68 0.30 0.87 -2.14 -0.49 0.00 0.00 175.26 174.48 1f9k s PRO 55 N -1.65 4.24 -0.13 0.39 0.02 -1.26 -4.72 135.00 131.89 1f9k s PRO 55 Ca 0.46 1.01 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 1f9k s PRO 55 Cb -0.25 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1f9k s PRO 55 CO 0.31 0.12 0.09 0.42 -0.33 0.00 0.00 177.00 177.61 1f9k s ILE 56 N -1.96 5.08 -0.43 2.83 1.09 0.78 -4.88 121.20 123.70 1f9k s ILE 56 Ca 0.56 0.05 -0.26 0.00 -1.10 0.00 0.00 60.65 59.90 1f9k s ILE 56 Cb -0.12 -3.22 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1f9k s ILE 56 CO 0.17 0.57 0.95 -0.75 -0.10 0.00 0.00 174.94 175.78 1f9k s LYS 57 N -0.63 3.65 -0.07 2.79 2.20 -1.26 -1.36 119.74 125.06 1f9k s LYS 57 Ca 0.12 0.33 -0.24 0.00 -0.36 0.00 0.00 55.97 55.82 1f9k s LYS 57 Cb -0.12 -3.89 -0.29 0.00 -1.51 0.00 0.00 37.83 32.02 1f9k s LYS 57 CO 0.02 -1.16 0.87 0.82 -0.36 0.00 0.00 175.35 175.55 1f9k h ILE 58 N 6.02 1.59 -2.80 5.43 5.03 -1.37 -3.44 117.51 127.96 1f9k h ILE 58 Ca -0.24 -2.45 -0.11 0.00 -0.12 0.00 0.00 64.86 61.94 1f9k h ILE 58 Cb 1.07 3.22 -0.21 0.00 -3.03 0.00 0.00 36.82 37.88 1f9k h ILE 58 CO 1.02 0.68 -0.19 -1.66 -0.68 0.00 0.00 178.15 177.32 1f9k s TRP 59 N -2.43 -0.32 -0.34 1.37 1.48 -1.21 0.19 118.94 117.69 1f9k s TRP 59 Ca -0.15 0.60 -0.13 0.00 -1.06 0.00 0.00 56.10 55.36 1f9k s TRP 59 Cb -0.00 0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.45 1f9k s TRP 59 CO 0.79 -0.38 0.26 0.34 -4.06 0.00 0.00 176.95 173.90 1f9k s ASP 60 N -0.94 6.08 0.42 -2.66 -1.08 -0.23 -4.64 116.67 113.62 1f9k s ASP 60 Ca -0.10 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 51.77 1f9k s ASP 60 Cb -0.04 -2.15 0.89 0.00 -1.46 0.00 0.00 42.92 40.17 1f9k s ASP 60 CO 0.04 -0.24 1.83 0.77 0.52 0.00 0.00 175.17 178.09 1f9k h SER 61 N 8.48 0.00 1.95 -0.34 4.64 -1.95 0.52 113.55 126.85 1f9k h SER 61 Ca -0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1f9k h SER 61 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1f9k h SER 61 CO 0.64 0.28 -0.01 0.71 -0.87 0.00 0.00 176.83 177.58 1f9k h THR 62 N 0.00 0.02 0.00 2.95 1.35 -1.97 -3.35 112.91 111.91 1f9k h THR 62 Ca -0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1f9k h THR 62 Cb 0.73 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1f9k h THR 62 CO 0.04 0.01 -0.46 0.35 -0.25 0.00 0.00 175.52 175.21 1f9k n THR 63 N -3.10 0.00 -0.84 6.82 -2.24 -1.09 -5.00 114.28 108.83 1f9k n THR 63 Ca 0.04 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1f9k n THR 63 Cb 0.53 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1f9k n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f9k n GLY 64 N 1.67 1.08 3.76 3.38 0.00 0.18 -4.99 105.19 110.27 1f9k n GLY 64 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1f9k n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f9k s ASN 65 N -2.98 7.50 0.14 1.61 -0.87 -1.19 -4.87 114.94 114.27 1f9k s ASN 65 Ca 0.00 1.99 0.05 0.00 -1.57 0.00 0.00 52.86 53.33 1f9k s ASN 65 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1f9k s ASN 65 CO 0.00 0.05 0.06 -0.69 -2.57 0.00 0.00 177.10 173.95 1f9k s VAL 66 N -1.27 4.15 0.09 1.60 1.01 -1.26 -1.07 120.40 123.65 1f9k s VAL 66 Ca 0.44 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1f9k s VAL 66 Cb -0.26 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1f9k s VAL 66 CO 0.32 -0.03 0.57 0.00 0.00 0.00 0.00 175.10 175.95 1f9k s ALA 67 N -1.61 3.58 -0.07 5.51 0.00 0.13 -4.79 121.76 124.52 1f9k s ALA 67 Ca 0.29 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1f9k s ALA 67 Cb -0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1f9k s ALA 67 CO 0.21 0.41 0.15 -1.12 0.00 0.00 0.00 175.76 175.40 1f9k s SER 68 N -1.23 6.30 0.16 0.00 0.01 -0.83 -4.42 113.70 113.69 1f9k s SER 68 Ca 0.31 0.39 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 1f9k s SER 68 Cb -0.19 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1f9k s SER 68 CO 0.19 0.34 0.16 0.72 0.41 0.00 0.00 173.24 175.06 1f9k s PHE 69 N -1.16 0.71 -0.12 2.43 -0.71 -0.79 0.00 117.98 118.34 1f9k s PHE 69 Ca 0.21 -1.07 -0.06 0.00 -1.04 0.00 0.00 56.93 54.97 1f9k s PHE 69 Cb -0.12 -0.31 0.05 0.00 -1.21 0.00 0.00 43.02 41.43 1f9k s PHE 69 CO 0.11 -0.62 0.28 -2.00 -1.34 0.00 0.00 175.22 171.64 1f9k s GLU 70 N -4.03 0.24 0.02 1.99 2.12 -0.08 -0.47 118.70 118.49 1f9k s GLU 70 Ca 0.23 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.22 1f9k s GLU 70 Cb 0.06 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 1f9k s GLU 70 CO 0.03 -0.17 -0.15 -0.08 -0.54 0.00 0.00 175.26 174.34 1f9k s THR 71 N 1.40 1.22 -0.01 -1.70 -1.32 0.24 -0.96 115.64 114.52 1f9k s THR 71 Ca -0.08 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1f9k s THR 71 Cb -0.10 -1.07 -0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1f9k s THR 71 CO -0.09 0.15 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.27 1f9k s ARG 72 N -0.88 0.64 0.06 7.08 0.52 0.10 -0.78 118.95 125.70 1f9k s ARG 72 Ca 0.04 -0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 54.76 1f9k s ARG 72 Cb -0.07 -0.62 0.07 0.00 0.52 0.00 0.00 34.95 34.84 1f9k s ARG 72 CO 0.01 0.12 0.61 -0.59 0.02 0.00 0.00 175.30 175.46 1f9k s PHE 73 N -0.00 -0.55 -0.18 -0.53 -0.12 -0.98 0.26 117.98 115.89 1f9k s PHE 73 Ca 0.00 0.62 -0.02 0.00 -0.05 0.00 0.00 56.93 57.49 1f9k s PHE 73 Cb -0.05 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1f9k s PHE 73 CO -0.00 -0.72 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.24 1f9k s SER 74 N -2.05 4.14 0.22 1.98 0.01 -0.76 -1.37 113.70 115.88 1f9k s SER 74 Ca -0.04 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 56.96 1f9k s SER 74 Cb -0.01 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 1f9k s SER 74 CO -0.03 0.07 -0.22 0.72 0.41 0.00 0.00 173.24 174.20 1f9k s PHE 75 N 0.93 2.22 -0.25 2.43 -0.12 -0.63 -0.47 117.98 122.09 1f9k s PHE 75 Ca -0.02 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1f9k s PHE 75 Cb -0.15 -1.05 0.08 0.00 -0.63 0.00 0.00 43.02 41.28 1f9k s PHE 75 CO -0.00 0.56 0.05 1.21 -0.05 0.00 0.00 175.22 176.99 1f9k s ASN 76 N -3.01 3.58 -0.21 1.98 2.47 0.53 -1.31 114.94 118.97 1f9k s ASN 76 Ca 0.24 -1.26 -0.09 0.00 0.42 0.00 0.00 52.86 52.17 1f9k s ASN 76 Cb -0.06 -0.81 -0.05 0.00 -1.45 0.00 0.00 41.25 38.88 1f9k s ASN 76 CO 0.11 -0.35 0.11 -0.63 -3.72 0.00 0.00 177.10 172.63 1f9k s ILE 77 N 1.67 5.09 -0.11 -5.21 1.01 -1.26 -2.18 121.20 120.21 1f9k s ILE 77 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.79 1f9k s ILE 77 Cb -0.17 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1f9k s ILE 77 CO -0.16 0.41 -0.19 -0.89 0.00 0.00 0.00 174.94 174.11 1f9k s THR 78 N 0.69 1.75 -0.54 2.92 2.01 -1.20 -0.98 115.64 120.29 1f9k s THR 78 Ca 0.06 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1f9k s THR 78 Cb -0.13 -1.55 0.14 0.00 0.01 0.00 0.00 72.50 70.97 1f9k s THR 78 CO 0.01 0.49 0.40 -1.10 -0.69 0.00 0.00 174.62 173.73 1f9k s GLN 79 N 0.69 2.58 0.22 4.92 -0.21 -1.26 -0.38 119.66 126.22 1f9k s GLN 79 Ca -0.12 -1.99 -0.12 0.00 0.02 0.00 0.00 55.36 53.14 1f9k s GLN 79 Cb -0.16 -3.92 0.28 0.00 1.00 0.00 0.00 33.01 30.21 1f9k s GLN 79 CO 0.03 -1.19 1.63 -1.35 -2.12 0.00 0.00 175.29 172.28 1f9k h PRO 80 N 8.08 0.02 -5.05 2.91 0.11 -1.98 -3.45 132.00 132.64 1f9k h PRO 80 Ca -0.13 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.45 1f9k h PRO 80 Cb 1.04 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 1f9k h PRO 80 CO 0.81 0.02 -0.54 0.71 -0.21 0.00 0.00 178.00 178.79 1f9k s TYR 81 N -6.21 1.79 -0.22 0.65 1.51 -1.26 -5.07 117.35 108.54 1f9k s TYR 81 Ca -0.14 -1.24 -0.18 0.00 -1.01 0.00 0.00 57.07 54.50 1f9k s TYR 81 Cb 0.20 -1.15 -0.15 0.00 -0.11 0.00 0.00 41.96 40.76 1f9k s TYR 81 CO 0.74 -0.27 -0.03 0.00 -1.11 0.00 0.00 175.55 174.88 1f9k n ALA 82 N -0.84 0.88 -2.79 3.71 0.00 -1.26 -4.54 120.51 115.68 1f9k n ALA 82 Ca -0.05 -0.69 -0.34 0.00 0.00 0.00 0.00 53.44 52.36 1f9k n ALA 82 Cb 0.65 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 1f9k n ALA 82 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1f9k s TYR 83 N -2.42 3.34 0.09 0.00 -0.85 -1.26 -1.87 117.35 114.38 1f9k s TYR 83 Ca -0.31 0.28 -0.25 0.00 -0.52 0.00 0.00 57.07 56.27 1f9k s TYR 83 Cb 0.08 -1.80 -0.15 0.00 0.38 0.00 0.00 41.96 40.48 1f9k s TYR 83 CO 0.52 0.58 1.70 -1.35 -1.52 0.00 0.00 175.55 175.48 1f9k h PRO 84 N 4.52 -0.24 0.00 -3.49 0.11 -1.86 -3.49 132.00 127.55 1f9k h PRO 84 Ca -0.51 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1f9k h PRO 84 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1f9k h PRO 84 CO 0.60 -0.16 0.00 0.39 -0.21 0.00 0.00 178.00 178.62 1f9k n GLU 85 N -5.21 0.00 -2.08 1.05 4.71 -0.78 -5.13 120.64 113.21 1f9k n GLU 85 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.73 1f9k n GLU 85 Cb 0.13 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.58 1f9k n GLU 85 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1f9k s PRO 86 N -1.43 3.25 0.08 3.49 0.04 -1.26 -4.53 135.00 134.63 1f9k s PRO 86 Ca 0.00 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 1f9k s PRO 86 Cb 0.00 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1f9k s PRO 86 CO 0.00 -0.89 0.82 0.00 0.04 0.00 0.00 177.00 176.97 1f9k s ALA 87 N -2.21 -1.71 -0.07 8.56 0.00 -1.19 -4.20 121.76 120.94 1f9k s ALA 87 Ca 0.67 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.37 1f9k s ALA 87 Cb -0.19 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 1f9k s ALA 87 CO 0.34 -0.78 0.03 -0.25 0.00 0.00 0.00 175.76 175.10 1f9k n ASP 88 N -0.32 3.16 0.00 0.00 8.00 0.13 -3.09 116.55 124.43 1f9k n ASP 88 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1f9k n ASP 88 Cb 0.62 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 1f9k n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f9k n GLY 89 N 2.52 -0.02 3.15 0.44 0.00 -1.19 -1.88 105.19 108.22 1f9k n GLY 89 Ca -0.12 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1f9k n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f9k s LEU 90 N 0.00 2.30 -0.04 0.99 2.96 -0.67 -2.60 118.68 121.63 1f9k s LEU 90 Ca 0.00 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.04 1f9k s LEU 90 Cb 0.00 -0.39 0.05 0.00 0.50 0.00 0.00 46.19 46.34 1f9k s LEU 90 CO 0.00 -0.14 0.50 0.42 -1.32 0.00 0.00 176.35 175.81 1f9k s THR 91 N -1.55 0.03 -0.17 3.68 -4.23 0.53 0.58 115.64 114.50 1f9k s THR 91 Ca -0.02 -0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1f9k s THR 91 Cb -0.08 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 1f9k s THR 91 CO 0.01 -0.12 0.01 0.12 -0.54 0.00 0.00 174.62 174.11 1f9k s PHE 92 N -1.17 3.14 0.17 3.99 5.36 -0.04 -0.56 117.98 128.89 1f9k s PHE 92 Ca -0.12 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1f9k s PHE 92 Cb -0.03 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1f9k s PHE 92 CO 0.07 0.07 0.08 -0.59 -1.46 0.00 0.00 175.22 173.39 1f9k s PHE 93 N 0.35 1.09 -0.01 10.12 -0.12 -0.15 0.65 117.98 129.90 1f9k s PHE 93 Ca -0.00 -1.25 0.01 0.00 -0.05 0.00 0.00 56.93 55.64 1f9k s PHE 93 Cb -0.13 -0.59 0.01 0.00 -0.63 0.00 0.00 43.02 41.68 1f9k s PHE 93 CO 0.01 -0.49 -0.03 -1.64 -0.05 0.00 0.00 175.22 173.02 1f9k s MET 94 N -4.06 0.40 0.01 1.99 -1.94 0.12 -1.43 119.30 114.39 1f9k s MET 94 Ca 0.30 -0.09 -0.18 0.00 -1.71 0.00 0.00 55.69 54.01 1f9k s MET 94 Cb 0.07 -0.44 0.03 0.00 2.01 0.00 0.00 34.83 36.51 1f9k s MET 94 CO 0.07 0.02 0.40 0.14 -0.01 0.00 0.00 175.02 175.63 1f9k s VAL 95 N 0.30 0.05 0.58 -6.03 -7.23 -0.99 -1.71 120.40 105.38 1f9k s VAL 95 Ca -0.03 -0.43 -0.20 0.00 -1.81 0.00 0.00 61.98 59.51 1f9k s VAL 95 Cb -0.06 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 1f9k s VAL 95 CO -0.00 -0.24 1.13 -2.65 -0.31 0.00 0.00 175.10 173.03 1f9k n PRO 96 N 0.84 1.17 -1.80 4.82 -0.02 -1.26 0.54 135.00 139.29 1f9k n PRO 96 Ca -0.20 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 1f9k n PRO 96 Cb 0.58 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1f9k n PRO 96 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1f9k s PRO 97 N -2.84 3.52 -1.25 0.52 0.02 -1.26 -2.99 135.00 130.72 1f9k s PRO 97 Ca 0.75 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 64.10 1f9k s PRO 97 Cb -0.42 -2.53 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 1f9k s PRO 97 CO 0.47 -0.93 0.79 0.27 -0.33 0.00 0.00 177.00 177.27 1f9k n ASN 98 N -0.45 -2.13 -4.64 2.53 6.94 -1.26 -4.99 115.26 111.26 1f9k n ASN 98 Ca 0.07 -0.78 -0.34 0.00 -0.02 0.00 0.00 54.58 53.51 1f9k n ASN 98 Cb 0.43 -4.34 -0.10 0.00 -2.36 0.00 0.00 39.78 33.41 1f9k n ASN 98 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1f9k s SER 99 N -4.21 4.93 0.40 0.53 0.15 -1.16 -5.09 113.70 109.24 1f9k s SER 99 Ca 0.08 0.01 -0.26 0.00 0.70 0.00 0.00 55.95 56.48 1f9k s SER 99 Cb -0.02 -1.28 -0.10 0.00 -1.71 0.00 0.00 66.02 62.90 1f9k s SER 99 CO 0.79 0.34 1.30 -0.81 1.20 0.00 0.00 173.24 176.06 1f9k n PRO 100 N 1.91 2.07 -0.58 5.44 -0.04 -1.26 -4.99 135.00 137.55 1f9k n PRO 100 Ca -0.17 0.73 -0.30 0.00 -0.04 0.00 0.00 63.50 63.73 1f9k n PRO 100 Cb 0.53 -2.41 0.21 0.00 -0.04 0.00 0.00 33.50 31.80 1f9k n PRO 100 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1f9k s GLN 101 N -2.12 -0.04 0.69 0.54 -0.21 -1.26 -4.98 119.66 112.27 1f9k s GLN 101 Ca 0.59 1.23 0.03 0.00 0.02 0.00 0.00 55.36 57.22 1f9k s GLN 101 Cb -0.52 -1.63 0.12 0.00 1.00 0.00 0.00 33.01 31.99 1f9k s GLN 101 CO 0.60 -3.25 0.95 0.20 -2.12 0.00 0.00 175.29 171.66 1f9k s GLY 102 N -2.53 1.74 0.26 3.09 0.00 -1.19 -4.84 107.32 103.85 1f9k s GLY 102 Ca 0.68 -1.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1f9k s GLY 102 CO 0.62 -1.36 0.60 -0.54 0.00 0.00 0.00 173.10 172.41 1f9k s GLU 103 N -5.02 3.84 0.26 2.90 0.41 -0.55 -4.65 118.70 115.90 1f9k s GLU 103 Ca 0.66 0.36 -0.04 0.00 -0.41 0.00 0.00 54.97 55.53 1f9k s GLU 103 Cb -0.05 -2.59 0.06 0.00 -1.78 0.00 0.00 34.13 29.78 1f9k s GLU 103 CO 0.43 0.26 0.15 -0.25 -0.49 0.00 0.00 175.26 175.36 1f9k n ASP 104 N -0.26 -2.14 0.00 -0.19 8.00 -1.26 -2.27 116.55 118.43 1f9k n ASP 104 Ca 0.01 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1f9k n ASP 104 Cb 0.53 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1f9k n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f9k n GLY 105 N -0.89 2.82 0.22 0.44 0.00 -1.26 -2.11 105.19 104.40 1f9k n GLY 105 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1f9k n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f9k h GLY 106 N 0.00 0.00 -2.35 -0.02 0.00 -1.93 0.76 103.07 99.54 1f9k h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f9k h GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1f9k n ASN 107 N -2.22 3.55 -1.68 0.19 3.02 -0.90 -4.89 115.26 112.33 1f9k n ASN 107 Ca -0.01 -2.41 -0.01 0.00 -0.03 0.00 0.00 54.58 52.12 1f9k n ASN 107 Cb 0.49 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1f9k n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f9k n LEU 108 N 0.54 -0.07 -1.29 3.41 -0.00 0.26 0.66 117.00 120.51 1f9k n LEU 108 Ca 0.17 0.23 -0.15 0.00 -0.00 0.00 0.00 56.01 56.25 1f9k n LEU 108 Cb 0.71 -0.81 -0.05 0.00 -0.00 0.00 0.00 43.42 43.27 1f9k n LEU 108 CO 0.18 -0.03 -0.16 0.61 -0.00 0.00 0.00 177.39 177.99 1f9k n GLY 109 N -0.24 1.17 0.61 1.47 0.00 -0.96 -4.26 105.19 102.97 1f9k n GLY 109 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1f9k n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1f9k n VAL 110 N -2.87 0.00 -3.94 1.61 0.31 0.21 -3.18 118.33 110.47 1f9k n VAL 110 Ca -0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.90 1f9k n VAL 110 Cb 0.53 -0.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 1f9k n VAL 110 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1f9k s PHE 111 N -1.92 3.49 -0.22 3.52 0.40 -1.05 -4.04 117.98 118.15 1f9k s PHE 111 Ca 0.00 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1f9k s PHE 111 Cb 0.00 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 1f9k s PHE 111 CO 0.00 0.53 -0.04 -1.59 0.70 0.00 0.00 175.22 174.81 1f9k s LYS 112 N -3.13 3.38 0.21 0.44 0.00 -1.26 -1.48 119.74 117.89 1f9k s LYS 112 Ca 0.35 -0.63 0.08 0.00 0.00 0.00 0.00 55.97 55.78 1f9k s LYS 112 Cb -0.11 -3.01 0.67 0.00 0.00 0.00 0.00 37.83 35.39 1f9k s LYS 112 CO 0.28 -0.20 0.93 -2.30 0.00 0.00 0.00 175.35 174.06 1f9k n PRO 113 N 4.79 -0.04 -3.49 1.78 -0.03 -1.26 -2.32 135.00 134.43 1f9k n PRO 113 Ca -0.18 0.83 -0.42 0.00 -0.03 0.00 0.00 63.50 63.70 1f9k n PRO 113 Cb 0.51 -1.44 -0.05 0.00 -0.03 0.00 0.00 33.50 32.49 1f9k n PRO 113 CO 0.00 0.00 0.00 -2.14 -0.03 0.00 0.00 175.50 173.33 1f9k s PRO 114 N -5.08 3.30 0.00 0.52 0.03 -1.26 -4.97 135.00 127.54 1f9k s PRO 114 Ca -0.06 -2.65 0.00 0.00 0.03 0.00 0.00 61.00 58.32 1f9k s PRO 114 Cb 0.19 -4.17 0.00 0.00 0.03 0.00 0.00 34.50 30.55 1f9k s PRO 114 CO 0.46 -1.25 0.00 -1.91 0.03 0.00 0.00 177.00 174.33 1f9k n GLU 115 N 3.51 0.00 -0.06 5.54 2.13 -0.98 -4.83 120.64 125.95 1f9k n GLU 115 Ca 0.14 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.90 1f9k n GLU 115 Cb 0.42 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.11 1f9k n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f9k n GLY 116 N 0.00 -0.65 3.40 8.31 0.00 -1.26 -5.05 105.19 109.94 1f9k n GLY 116 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1f9k n GLY 116 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1f9k s ASP 117 N -5.40 3.12 0.13 1.61 3.84 -1.26 -5.11 116.67 113.61 1f9k s ASP 117 Ca -0.19 -0.93 -0.31 0.00 -0.00 0.00 0.00 52.55 51.12 1f9k s ASP 117 Cb 0.03 -0.22 -0.08 0.00 -1.38 0.00 0.00 42.92 41.26 1f9k s ASP 117 CO 0.28 0.01 1.42 0.21 -0.00 0.00 0.00 175.17 177.09 1f9k s ASN 118 N -2.98 6.77 -0.02 2.11 3.84 -1.26 -4.94 114.94 118.46 1f9k s ASN 118 Ca 0.22 2.40 -0.14 0.00 0.21 0.00 0.00 52.86 55.55 1f9k s ASN 118 Cb -0.05 -2.59 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 1f9k s ASN 118 CO 0.10 -0.68 0.29 0.00 -2.79 0.00 0.00 177.10 174.01 1f9k s ALA 119 N 1.05 -0.73 -0.05 1.71 0.00 -1.26 -4.19 121.76 118.29 1f9k s ALA 119 Ca 0.65 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1f9k s ALA 119 Cb -0.38 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1f9k s ALA 119 CO 0.31 -0.25 -0.07 0.12 0.00 0.00 0.00 175.76 175.87 1f9k s PHE 120 N -1.21 0.96 0.03 0.00 5.36 -0.69 -0.88 117.98 121.55 1f9k s PHE 120 Ca -0.13 -0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 55.44 1f9k s PHE 120 Cb -0.05 -0.78 0.01 0.00 -0.34 0.00 0.00 43.02 41.86 1f9k s PHE 120 CO 0.04 -0.21 0.21 0.00 -1.46 0.00 0.00 175.22 173.80 1f9k s ALA 121 N 0.79 -0.43 -0.28 11.12 0.00 -0.03 0.11 121.76 133.04 1f9k s ALA 121 Ca -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1f9k s ALA 121 Cb -0.15 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1f9k s ALA 121 CO 0.01 -0.34 -0.04 0.08 0.00 0.00 0.00 175.76 175.47 1f9k s VAL 122 N -2.34 2.80 0.14 0.00 1.01 0.21 -0.31 120.40 121.90 1f9k s VAL 122 Ca -0.07 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.61 1f9k s VAL 122 Cb -0.02 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1f9k s VAL 122 CO -0.03 -0.01 0.23 -1.83 0.00 0.00 0.00 175.10 173.47 1f9k s GLU 123 N 1.24 3.28 -0.53 2.72 -1.05 0.90 -0.86 118.70 124.40 1f9k s GLU 123 Ca -0.04 -0.66 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 1f9k s GLU 123 Cb -0.19 -2.88 0.15 0.00 -0.44 0.00 0.00 34.13 30.77 1f9k s GLU 123 CO -0.03 0.52 0.34 -0.06 0.95 0.00 0.00 175.26 176.99 1f9k s PHE 124 N -1.71 2.46 -0.20 4.83 0.40 0.20 -1.07 117.98 122.88 1f9k s PHE 124 Ca 0.33 -2.79 -0.29 0.00 -0.60 0.00 0.00 56.93 53.59 1f9k s PHE 124 Cb -0.11 -2.06 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 1f9k s PHE 124 CO 0.27 -0.71 1.13 0.34 0.70 0.00 0.00 175.22 176.95 1f9k s ASP 125 N -0.37 7.04 -0.03 1.36 -1.08 -0.40 -1.66 116.67 121.53 1f9k s ASP 125 Ca 0.23 1.51 0.21 0.00 -0.52 0.00 0.00 52.55 53.98 1f9k s ASP 125 Cb -0.12 -2.54 -0.32 0.00 -1.46 0.00 0.00 42.92 38.48 1f9k s ASP 125 CO -0.09 -0.70 0.51 0.35 0.52 0.00 0.00 175.17 175.75 1f9k n THR 126 N 5.32 0.00 -4.97 1.71 -2.24 -0.79 -1.64 114.28 111.67 1f9k n THR 126 Ca 0.13 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 1f9k n THR 126 Cb 0.46 0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1f9k n THR 126 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1f9k s PHE 127 N -3.41 2.68 -0.58 4.78 5.36 -1.16 -4.66 117.98 120.99 1f9k s PHE 127 Ca -0.06 -0.65 -0.24 0.00 -0.96 0.00 0.00 56.93 55.03 1f9k s PHE 127 Cb 0.14 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 41.13 1f9k s PHE 127 CO 0.87 -0.18 0.95 -1.14 -1.46 0.00 0.00 175.22 174.26 1f9k s GLN 128 N 0.06 3.26 0.64 10.12 0.74 -1.26 -4.98 119.66 128.25 1f9k s GLN 128 Ca -0.07 -0.42 -0.10 0.00 0.05 0.00 0.00 55.36 54.81 1f9k s GLN 128 Cb -0.15 -4.10 0.15 0.00 1.10 0.00 0.00 33.01 30.01 1f9k s GLN 128 CO 0.05 -1.58 0.88 0.09 -0.55 0.00 0.00 175.29 174.18 1f9k n ASN 129 N 7.54 0.15 0.15 6.67 4.13 -1.26 -4.90 115.26 127.74 1f9k n ASN 129 Ca 0.00 -1.37 0.12 0.00 1.68 0.00 0.00 54.58 55.02 1f9k n ASN 129 Cb 0.47 -0.66 0.53 0.00 -1.54 0.00 0.00 39.78 38.57 1f9k n ASN 129 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1f9k h THR 130 N -1.42 0.00 -0.02 3.41 1.35 -2.02 -2.72 112.91 111.49 1f9k h THR 130 Ca -0.28 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1f9k h THR 130 Cb 0.80 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1f9k h THR 130 CO 0.21 0.00 -0.06 -2.67 -0.25 0.00 0.00 175.52 172.75 1f9k n TRP 131 N -2.32 0.00 -3.65 4.73 2.14 -1.26 -5.03 117.44 112.05 1f9k n TRP 131 Ca 0.02 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.30 1f9k n TRP 131 Cb 0.21 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.68 1f9k n TRP 131 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1f9k s ASP 132 N -1.46 6.41 0.76 -0.67 1.01 -1.03 -4.91 116.67 116.77 1f9k s ASP 132 Ca 0.18 0.46 -0.03 0.00 0.71 0.00 0.00 52.55 53.88 1f9k s ASP 132 Cb 0.14 -2.04 0.14 0.00 1.01 0.00 0.00 42.92 42.17 1f9k s ASP 132 CO 0.24 -0.04 0.96 -2.65 0.21 0.00 0.00 175.17 173.88 1f9k n PRO 133 N -0.57 -0.24 -1.68 8.23 -0.02 -1.26 -4.76 135.00 134.70 1f9k n PRO 133 Ca -0.04 -2.37 -0.52 0.00 -2.02 0.00 0.00 63.50 58.55 1f9k n PRO 133 Cb 0.53 -0.71 -0.06 0.00 -0.02 0.00 0.00 33.50 33.24 1f9k n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f9k n GLN 134 N -2.83 1.60 -3.31 -0.52 -0.00 -1.26 -4.84 117.38 106.22 1f9k n GLN 134 Ca 0.15 0.59 -0.20 0.00 -0.00 0.00 0.00 57.00 57.53 1f9k n GLN 134 Cb 0.53 -2.32 0.00 0.00 -0.00 0.00 0.00 30.24 28.45 1f9k n GLN 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1f9k s VAL 135 N 2.81 4.02 0.64 -0.39 -7.23 -1.26 -4.38 120.40 114.62 1f9k s VAL 135 Ca 0.92 -0.85 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1f9k s VAL 135 Cb -0.88 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 32.62 1f9k s VAL 135 CO 0.54 -0.20 1.05 -2.16 -0.31 0.00 0.00 175.10 174.02 1f9k s PRO 136 N -4.29 3.24 0.07 4.82 0.04 -1.26 -4.98 135.00 132.64 1f9k s PRO 136 Ca 0.46 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1f9k s PRO 136 Cb -0.10 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1f9k s PRO 136 CO 0.33 -0.86 0.43 -3.38 0.04 0.00 0.00 177.00 173.56 1f9k s HIS 137 N -2.91 -0.28 -0.03 0.56 -3.43 -0.65 -2.48 115.29 106.06 1f9k s HIS 137 Ca 0.59 0.17 -0.15 0.00 -0.80 0.00 0.00 55.06 54.86 1f9k s HIS 137 Cb -0.13 0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 1f9k s HIS 137 CO 0.49 -0.63 0.41 0.42 -2.00 0.00 0.00 174.74 173.43 1f9k s ILE 138 N -2.91 5.07 -0.00 -5.38 1.01 0.60 -1.28 121.20 118.31 1f9k s ILE 138 Ca -0.03 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1f9k s ILE 138 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1f9k s ILE 138 CO -0.05 0.52 0.00 -0.83 0.00 0.00 0.00 174.94 174.58 1f9k s GLY 139 N -0.66 0.04 -0.50 6.18 0.00 -0.23 -1.14 107.32 111.01 1f9k s GLY 139 Ca 0.24 0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.82 1f9k s GLY 139 CO 0.12 0.09 0.46 -0.42 0.00 0.00 0.00 173.10 173.36 1f9k s ILE 140 N 0.16 5.17 -0.33 0.90 1.01 -0.83 -0.07 121.20 127.21 1f9k s ILE 140 Ca -0.01 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 1f9k s ILE 140 Cb -0.02 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1f9k s ILE 140 CO -0.00 -0.70 0.32 -1.81 0.00 0.00 0.00 174.94 172.74 1f9k s ASP 141 N 2.90 6.14 -0.65 3.58 1.01 0.57 -0.94 116.67 129.29 1f9k s ASP 141 Ca 0.05 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.04 1f9k s ASP 141 Cb -0.25 -2.18 0.17 0.00 1.01 0.00 0.00 42.92 41.67 1f9k s ASP 141 CO 0.06 -0.29 0.47 -0.69 0.21 0.00 0.00 175.17 174.94 1f9k s VAL 142 N 1.93 3.81 -0.97 -1.27 1.01 -1.26 -0.85 120.40 122.79 1f9k s VAL 142 Ca 0.10 -3.01 -0.05 0.00 0.00 0.00 0.00 61.98 59.01 1f9k s VAL 142 Cb -0.17 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1f9k s VAL 142 CO 0.11 -0.90 0.70 0.59 0.00 0.00 0.00 175.10 175.61 1f9k n ASN 143 N 3.41 -4.93 0.00 3.32 3.02 -0.06 -5.00 115.26 115.02 1f9k n ASN 143 Ca 0.09 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1f9k n ASN 143 Cb 0.38 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1f9k n ASN 143 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1f9k n SER 144 N -1.48 0.00 0.17 6.41 2.88 -1.26 -4.96 113.62 115.37 1f9k n SER 144 Ca -0.02 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.66 1f9k n SER 144 Cb 0.55 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.50 1f9k n SER 144 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1f9k h ILE 145 N 0.14 0.00 -1.50 2.46 -2.65 -1.95 -3.39 117.51 110.63 1f9k h ILE 145 Ca 0.00 -0.42 -0.64 0.00 1.03 0.00 0.00 64.86 64.82 1f9k h ILE 145 Cb 0.00 1.30 -0.12 0.00 -2.05 0.00 0.00 36.82 35.95 1f9k h ILE 145 CO 0.00 0.00 1.40 -0.69 0.03 0.00 0.00 178.15 178.89 1f9k s VAL 146 N -3.34 4.23 0.24 0.16 1.01 -1.26 -4.98 120.40 116.48 1f9k s VAL 146 Ca 0.05 -1.24 -0.27 0.00 0.00 0.00 0.00 61.98 60.52 1f9k s VAL 146 Cb 0.09 -4.99 -0.16 0.00 0.00 0.00 0.00 36.38 31.32 1f9k s VAL 146 CO 0.50 -1.81 0.54 -1.20 0.00 0.00 0.00 175.10 173.13 1f9k n SER 147 N 7.99 -1.07 0.22 3.32 7.64 -1.26 -4.78 113.62 125.67 1f9k n SER 147 Ca 0.33 1.09 0.12 0.00 1.01 0.00 0.00 58.87 61.42 1f9k n SER 147 Cb 0.49 -0.99 0.20 0.00 -1.01 0.00 0.00 64.21 62.90 1f9k n SER 147 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1f9k h SER 148 N 1.05 0.00 -4.25 6.43 4.64 -1.40 -3.45 113.55 116.57 1f9k h SER 148 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1f9k h SER 148 Cb 1.43 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.31 1f9k h SER 148 CO 0.56 0.03 0.08 -0.54 -0.87 0.00 0.00 176.83 176.09 1f9k s LYS 149 N -3.23 0.83 0.15 4.77 1.02 -1.25 -5.03 119.74 117.00 1f9k s LYS 149 Ca 0.06 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1f9k s LYS 149 Cb 0.05 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.72 1f9k s LYS 149 CO 0.67 -0.15 0.02 0.95 -0.92 0.00 0.00 175.35 175.92 1f9k s THR 150 N -0.07 0.42 -0.15 2.17 -4.23 -1.26 -1.96 115.64 110.57 1f9k s THR 150 Ca -0.03 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1f9k s THR 150 Cb -0.04 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1f9k s THR 150 CO 0.03 -0.50 0.34 -0.22 -0.54 0.00 0.00 174.62 173.73 1f9k s LEU 151 N -3.11 -0.08 0.36 4.79 2.96 -0.29 -4.96 118.68 118.35 1f9k s LEU 151 Ca 0.23 0.75 -0.25 0.00 -0.22 0.00 0.00 54.13 54.64 1f9k s LEU 151 Cb 0.07 1.06 -0.09 0.00 0.50 0.00 0.00 46.19 47.73 1f9k s LEU 151 CO 0.02 -0.20 1.00 -2.28 -1.32 0.00 0.00 176.35 173.58 1f9k s HIS 152 N 1.74 3.47 0.02 5.38 5.65 -1.26 -0.29 115.29 129.99 1f9k s HIS 152 Ca -0.06 1.70 -0.11 0.00 0.25 0.00 0.00 55.06 56.84 1f9k s HIS 152 Cb -0.10 -3.04 0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1f9k s HIS 152 CO -0.11 -0.25 0.22 -0.59 -0.65 0.00 0.00 174.74 173.36 1f9k s PHE 153 N -1.63 -0.03 -0.22 3.88 -0.71 -1.04 -4.91 117.98 113.32 1f9k s PHE 153 Ca 0.54 -0.06 -0.20 0.00 -1.04 0.00 0.00 56.93 56.17 1f9k s PHE 153 Cb -0.21 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1f9k s PHE 153 CO 0.26 -0.39 0.60 1.14 -1.34 0.00 0.00 175.22 175.49 1f9k s GLN 154 N -1.93 4.17 0.14 1.99 0.00 -1.26 -4.26 119.66 118.51 1f9k s GLN 154 Ca -0.10 0.53 -0.27 0.00 -0.00 0.00 0.00 55.36 55.52 1f9k s GLN 154 Cb -0.04 -3.60 -0.07 0.00 0.00 0.00 0.00 33.01 29.30 1f9k s GLN 154 CO -0.00 -0.28 0.84 -1.17 0.00 0.00 0.00 175.29 174.68 1f9k s LEU 155 N 2.04 4.55 -0.62 2.60 2.96 -1.26 -5.00 118.68 123.96 1f9k s LEU 155 Ca 0.26 1.68 -0.17 0.00 -0.22 0.00 0.00 54.13 55.68 1f9k s LEU 155 Cb -0.16 -3.39 0.13 0.00 0.50 0.00 0.00 46.19 43.27 1f9k s LEU 155 CO 0.10 0.10 0.66 -1.61 -1.32 0.00 0.00 176.35 174.28 1f9k s GLU 156 N -0.68 3.12 -0.40 1.98 0.41 -1.26 -5.00 118.70 116.87 1f9k s GLU 156 Ca 0.39 -1.63 -0.39 0.00 -0.41 0.00 0.00 54.97 52.93 1f9k s GLU 156 Cb -0.23 -4.33 -0.15 0.00 -1.78 0.00 0.00 34.13 27.64 1f9k s GLU 156 CO 0.27 -1.44 2.10 -1.71 -0.49 0.00 0.00 175.26 173.99 1f9k n ASN 157 N 5.65 1.64 0.00 -0.19 4.05 -1.26 0.22 115.26 125.37 1f9k n ASN 157 Ca -0.07 0.61 0.00 0.00 0.45 0.00 0.00 54.58 55.57 1f9k n ASN 157 Cb 0.42 -1.11 0.00 0.00 1.23 0.00 0.00 39.78 40.33 1f9k n ASN 157 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f9k n GLY 158 N 6.54 0.59 3.88 8.20 0.00 -0.16 -4.98 105.19 119.27 1f9k n GLY 158 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 1f9k n GLY 158 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f9k s GLY 159 N -2.00 2.20 0.14 -0.02 0.00 0.13 -4.90 107.32 102.87 1f9k s GLY 159 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 1f9k s GLY 159 CO 0.00 -0.24 1.19 0.14 0.00 0.00 0.00 173.10 174.19 1f9k s VAL 160 N -1.85 3.79 -0.09 1.40 1.01 -1.26 -4.47 120.40 118.93 1f9k s VAL 160 Ca 0.46 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1f9k s VAL 160 Cb -0.11 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1f9k s VAL 160 CO 0.23 0.18 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 1f9k s ALA 161 N 0.36 2.49 -0.25 5.51 0.00 -0.42 -4.59 121.76 124.86 1f9k s ALA 161 Ca 0.55 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1f9k s ALA 161 Cb -0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1f9k s ALA 161 CO 0.33 0.37 0.09 -0.80 0.00 0.00 0.00 175.76 175.75 1f9k s ASN 162 N -0.03 5.34 -0.09 0.00 0.01 0.68 -1.61 114.94 119.24 1f9k s ASN 162 Ca -0.05 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.97 1f9k s ASN 162 Cb -0.14 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1f9k s ASN 162 CO 0.04 -0.02 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.81 1f9k s VAL 163 N 1.52 3.28 -0.09 1.60 1.01 -0.47 0.27 120.40 127.52 1f9k s VAL 163 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1f9k s VAL 163 Cb -0.15 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1f9k s VAL 163 CO 0.05 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1f9k s VAL 164 N -0.31 0.94 -0.14 2.92 1.01 0.77 -2.32 120.40 123.27 1f9k s VAL 164 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1f9k s VAL 164 Cb -0.13 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1f9k s VAL 164 CO 0.03 0.34 -0.20 -0.63 0.00 0.00 0.00 175.10 174.63 1f9k s ILE 165 N 1.46 2.23 -0.03 2.22 1.01 0.04 0.12 121.20 128.25 1f9k s ILE 165 Ca -0.00 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1f9k s ILE 165 Cb -0.13 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1f9k s ILE 165 CO -0.05 0.54 -0.09 -0.75 0.00 0.00 0.00 174.94 174.59 1f9k s LYS 166 N 0.75 1.08 -0.10 2.79 2.20 0.10 -0.59 119.74 125.96 1f9k s LYS 166 Ca -0.08 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 1f9k s LYS 166 Cb -0.16 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.19 1f9k s LYS 166 CO 0.00 0.08 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.47 1f9k s TYR 167 N 0.36 1.78 -0.39 4.03 5.04 0.38 -0.96 117.35 127.59 1f9k s TYR 167 Ca -0.06 -0.81 -0.09 0.00 -2.44 0.00 0.00 57.07 53.67 1f9k s TYR 167 Cb -0.11 -1.31 0.06 0.00 0.35 0.00 0.00 41.96 40.95 1f9k s TYR 167 CO 0.01 -0.44 0.20 -0.51 -1.34 0.00 0.00 175.55 173.47 1f9k s ASP 168 N 1.05 5.57 0.15 4.32 1.01 -0.87 -1.89 116.67 126.01 1f9k s ASP 168 Ca -0.06 -1.29 -0.23 0.00 0.71 0.00 0.00 52.55 51.68 1f9k s ASP 168 Cb -0.15 -1.96 0.03 0.00 1.01 0.00 0.00 42.92 41.85 1f9k s ASP 168 CO -0.02 -0.44 1.61 0.77 0.21 0.00 0.00 175.17 177.30 1f9k h SER 169 N 8.36 -0.93 -1.07 0.27 4.64 -1.87 0.35 113.55 123.30 1f9k h SER 169 Ca -0.23 0.16 0.29 0.00 -0.47 0.00 0.00 61.79 61.53 1f9k h SER 169 Cb 1.09 0.43 -0.11 0.00 -0.31 0.00 0.00 62.40 63.50 1f9k h SER 169 CO 0.69 -0.31 0.67 1.55 -0.87 0.00 0.00 176.83 178.57 1f9k h PRO 170 N -0.28 0.37 0.00 4.77 0.13 -1.94 -2.13 132.00 132.92 1f9k h PRO 170 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1f9k h PRO 170 Cb 0.51 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1f9k h PRO 170 CO -0.43 0.24 -0.77 0.25 -0.23 0.00 0.00 178.00 177.06 1f9k n THR 171 N -4.71 0.00 -2.38 1.56 -2.24 -0.93 -4.99 114.28 100.59 1f9k n THR 171 Ca 0.28 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1f9k n THR 171 Cb 0.94 0.91 -0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1f9k n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f9k n LYS 172 N -1.40 -1.62 -3.57 -0.78 5.02 0.12 -4.97 118.16 110.95 1f9k n LYS 172 Ca 0.02 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.74 1f9k n LYS 172 Cb 0.23 -5.24 -0.10 0.00 -0.02 0.00 0.00 35.03 29.90 1f9k n LYS 172 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1f9k s ILE 173 N -2.86 5.30 -0.25 -0.18 1.01 -1.19 -1.70 121.20 121.33 1f9k s ILE 173 Ca 0.03 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 1f9k s ILE 173 Cb -0.01 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1f9k s ILE 173 CO 0.03 0.27 0.04 -0.22 0.00 0.00 0.00 174.94 175.06 1f9k s LEU 174 N 1.57 3.37 -0.05 2.97 2.96 -0.45 -2.04 118.68 127.01 1f9k s LEU 174 Ca 0.09 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1f9k s LEU 174 Cb -0.15 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1f9k s LEU 174 CO 0.09 -0.06 -0.22 0.21 -1.32 0.00 0.00 176.35 175.05 1f9k s ASN 175 N 1.56 2.74 -0.10 3.68 2.47 -0.14 -1.15 114.94 123.99 1f9k s ASN 175 Ca 0.06 -0.45 0.04 0.00 0.42 0.00 0.00 52.86 52.92 1f9k s ASN 175 Cb -0.15 -0.75 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 1f9k s ASN 175 CO 0.02 0.21 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.69 1f9k s VAL 176 N -0.10 2.02 -0.07 -5.21 1.01 0.55 -0.72 120.40 117.88 1f9k s VAL 176 Ca -0.03 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1f9k s VAL 176 Cb -0.13 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1f9k s VAL 176 CO 0.03 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1f9k s VAL 177 N 0.42 1.44 -0.18 2.92 1.01 0.12 -1.53 120.40 124.60 1f9k s VAL 177 Ca -0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1f9k s VAL 177 Cb -0.18 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1f9k s VAL 177 CO 0.07 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.24 1f9k s LEU 178 N 0.52 2.47 -0.02 3.92 2.96 0.60 -0.16 118.68 128.96 1f9k s LEU 178 Ca -0.15 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1f9k s LEU 178 Cb -0.16 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1f9k s LEU 178 CO 0.05 0.02 -0.17 0.00 -1.32 0.00 0.00 176.35 174.93 1f9k s ALA 179 N 1.19 1.44 -0.46 5.97 0.00 0.14 -0.59 121.76 129.45 1f9k s ALA 179 Ca 0.02 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1f9k s ALA 179 Cb -0.14 -0.40 0.12 0.00 0.00 0.00 0.00 23.12 22.71 1f9k s ALA 179 CO -0.06 0.33 0.21 -0.06 0.00 0.00 0.00 175.76 176.18 1f9k s PHE 180 N -0.29 3.03 0.10 0.00 0.08 -0.65 -0.23 117.98 120.02 1f9k s PHE 180 Ca 0.04 -2.96 -0.18 0.00 0.12 0.00 0.00 56.93 53.95 1f9k s PHE 180 Cb -0.08 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 1f9k s PHE 180 CO 0.00 -0.79 1.60 0.45 -0.10 0.00 0.00 175.22 176.38 1f9k h HIS 181 N 6.81 0.49 -0.84 0.36 3.86 -1.81 0.36 115.15 124.38 1f9k h HIS 181 Ca -0.06 -0.06 0.21 0.00 -1.16 0.00 0.00 60.37 59.30 1f9k h HIS 181 Cb 0.93 -0.14 -0.14 0.00 1.06 0.00 0.00 27.41 29.11 1f9k h HIS 181 CO 0.50 0.53 0.07 0.66 0.86 0.00 0.00 177.93 180.55 1f9k h SER 182 N 0.31 -0.27 0.53 2.45 4.64 -1.94 0.36 113.55 119.63 1f9k h SER 182 Ca 0.09 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1f9k h SER 182 Cb 0.28 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1f9k h SER 182 CO 0.00 -0.20 -1.01 0.52 -0.87 0.00 0.00 176.83 175.27 1f9k n VAL 183 N -5.34 0.23 -2.54 0.95 0.31 -1.21 -5.01 118.33 105.73 1f9k n VAL 183 Ca 0.18 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 1f9k n VAL 183 Cb 0.58 0.09 0.02 0.00 -0.91 0.00 0.00 33.84 33.63 1f9k n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f9k n GLY 184 N 1.34 -0.61 3.12 2.92 0.00 0.13 -5.07 105.19 107.02 1f9k n GLY 184 Ca 0.02 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1f9k n GLY 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f9k s THR 185 N -3.14 1.10 -0.07 2.61 -4.23 -0.14 -4.99 115.64 106.77 1f9k s THR 185 Ca 0.16 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1f9k s THR 185 Cb -0.02 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1f9k s THR 185 CO 0.47 0.16 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.94 1f9k s VAL 186 N -0.57 0.87 -0.18 2.29 1.01 -1.26 -1.64 120.40 120.93 1f9k s VAL 186 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1f9k s VAL 186 Cb -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1f9k s VAL 186 CO 0.00 0.31 -0.18 -0.31 0.00 0.00 0.00 175.10 174.93 1f9k s TYR 187 N 1.06 2.79 -0.07 5.22 2.02 0.24 -5.00 117.35 123.60 1f9k s TYR 187 Ca -0.08 -1.43 0.03 0.00 -0.37 0.00 0.00 57.07 55.22 1f9k s TYR 187 Cb -0.14 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1f9k s TYR 187 CO -0.01 -0.70 -0.15 -0.08 -1.57 0.00 0.00 175.55 173.04 1f9k s THR 188 N 1.19 1.33 -0.02 -0.71 -1.32 -1.26 -0.29 115.64 114.56 1f9k s THR 188 Ca 0.02 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1f9k s THR 188 Cb -0.14 -1.19 0.02 0.00 -1.51 0.00 0.00 72.50 69.68 1f9k s THR 188 CO -0.08 0.40 0.02 -0.22 -2.21 0.00 0.00 174.62 172.52 1f9k s LEU 189 N 0.53 1.25 0.03 9.08 2.96 -0.58 -5.02 118.68 126.93 1f9k s LEU 189 Ca -0.14 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1f9k s LEU 189 Cb -0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 1f9k s LEU 189 CO 0.05 -0.10 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.49 1f9k s SER 190 N 0.87 0.42 0.33 3.68 0.01 -1.26 -0.33 113.70 117.43 1f9k s SER 190 Ca -0.08 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.59 1f9k s SER 190 Cb -0.11 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1f9k s SER 190 CO -0.02 -0.28 0.53 0.21 0.41 0.00 0.00 173.24 174.08 1f9k s ASN 191 N -1.53 0.56 -0.19 2.44 3.04 -0.30 -5.01 114.94 113.95 1f9k s ASN 191 Ca -0.14 -1.32 -0.10 0.00 0.04 0.00 0.00 52.86 51.34 1f9k s ASN 191 Cb -0.10 0.68 -0.05 0.00 -1.54 0.00 0.00 41.25 40.24 1f9k s ASN 191 CO -0.01 -1.33 0.16 -0.63 -3.04 0.00 0.00 177.10 172.25 1f9k s ILE 192 N -3.12 5.40 -0.01 -5.21 1.01 -1.26 -1.34 121.20 116.66 1f9k s ILE 192 Ca 0.26 0.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1f9k s ILE 192 Cb -0.01 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1f9k s ILE 192 CO 0.16 0.44 0.02 -0.69 0.00 0.00 0.00 174.94 174.88 1f9k s VAL 193 N 0.30 -0.04 -0.58 2.92 1.01 -0.69 -4.96 120.40 118.37 1f9k s VAL 193 Ca 0.10 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1f9k s VAL 193 Cb -0.11 -0.06 0.15 0.00 0.00 0.00 0.00 36.38 36.36 1f9k s VAL 193 CO -0.01 0.06 0.43 -0.62 0.00 0.00 0.00 175.10 174.96 1f9k s ASP 194 N 0.73 5.62 0.25 3.32 -1.08 -1.26 -4.61 116.67 119.64 1f9k s ASP 194 Ca -0.06 -2.41 -0.03 0.00 -0.52 0.00 0.00 52.55 49.52 1f9k s ASP 194 Cb -0.09 -1.95 0.43 0.00 -1.46 0.00 0.00 42.92 39.85 1f9k s ASP 194 CO -0.02 -0.53 1.82 -0.07 0.52 0.00 0.00 175.17 176.89 1f9k h LEU 195 N 7.74 0.76 -1.38 -1.34 3.38 -1.98 -1.79 115.31 120.71 1f9k h LEU 195 Ca -0.08 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1f9k h LEU 195 Cb 1.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1f9k h LEU 195 CO 0.76 0.43 0.45 0.50 0.09 0.00 0.00 178.44 180.67 1f9k h LYS 196 N 0.87 0.78 0.22 1.13 3.64 -1.93 -1.28 116.57 119.99 1f9k h LYS 196 Ca 0.42 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.42 1f9k h LYS 196 Cb 0.37 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1f9k h LYS 196 CO -0.24 0.52 -1.54 1.96 -2.27 0.00 0.00 179.45 177.88 1f9k h GLN 197 N 0.80 0.46 0.00 1.90 4.20 -1.81 -2.95 115.11 117.71 1f9k h GLN 197 Ca 0.27 -0.78 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1f9k h GLN 197 Cb 0.08 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1f9k h GLN 197 CO -0.08 1.37 0.00 0.93 -0.67 0.00 0.00 178.83 180.38 1f9k h GLU 198 N 0.12 0.00 -2.07 1.46 4.39 -1.20 -3.26 114.58 114.02 1f9k h GLU 198 Ca -0.27 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.87 1f9k h GLU 198 Cb 2.12 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.37 1f9k h GLU 198 CO 0.24 0.00 -0.95 1.19 -1.16 0.00 0.00 179.01 178.32 1f9k n PHE 199 N -2.75 1.11 0.15 4.33 3.72 -0.50 -4.72 117.46 118.80 1f9k n PHE 199 Ca 0.02 -3.79 0.01 0.00 -0.05 0.00 0.00 57.45 53.64 1f9k n PHE 199 Cb 0.33 -0.43 0.19 0.00 -0.94 0.00 0.00 39.48 38.64 1f9k n PHE 199 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1f9k h PRO 200 N 3.80 0.00 -0.63 -1.08 0.13 -1.56 -3.29 132.00 129.38 1f9k h PRO 200 Ca 0.11 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.98 1f9k h PRO 200 Cb 0.81 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.78 1f9k h PRO 200 CO 0.59 0.56 0.23 0.09 -0.23 0.00 0.00 178.00 179.25 1f9k n ASN 201 N -3.64 3.60 -3.65 1.44 3.02 -1.26 -4.91 115.26 109.86 1f9k n ASN 201 Ca -0.01 -3.50 -0.05 0.00 -0.03 0.00 0.00 54.58 50.99 1f9k n ASN 201 Cb 0.61 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 1f9k n ASN 201 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1f9k s SER 202 N -1.74 -0.82 0.01 6.41 0.15 -1.24 -4.98 113.70 111.49 1f9k s SER 202 Ca 0.51 1.35 0.23 0.00 0.70 0.00 0.00 55.95 58.74 1f9k s SER 202 Cb 0.43 1.68 0.12 0.00 -1.71 0.00 0.00 66.02 66.54 1f9k s SER 202 CO 0.08 -0.22 1.12 -0.62 1.20 0.00 0.00 173.24 174.79 1f9k n GLU 203 N 5.02 0.08 -4.40 5.44 1.02 -1.26 -4.79 120.64 121.74 1f9k n GLU 203 Ca -0.15 -0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.77 1f9k n GLU 203 Cb 0.52 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 1f9k n GLU 203 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1f9k s TRP 204 N -3.06 1.48 0.07 -0.32 0.52 -1.26 -0.90 118.94 115.47 1f9k s TRP 204 Ca 0.08 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 55.77 1f9k s TRP 204 Cb 0.16 -0.86 -0.02 0.00 -1.15 0.00 0.00 33.47 31.59 1f9k s TRP 204 CO 0.79 0.08 0.06 0.14 0.02 0.00 0.00 176.95 178.04 1f9k s VAL 205 N -0.94 0.19 -0.23 4.03 -7.23 -0.46 -4.16 120.40 111.60 1f9k s VAL 205 Ca 0.04 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1f9k s VAL 205 Cb -0.09 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1f9k s VAL 205 CO 0.02 -0.85 0.10 0.20 -0.31 0.00 0.00 175.10 174.26 1f9k s ASN 206 N -2.90 5.61 0.22 4.85 0.01 0.19 -0.16 114.94 122.76 1f9k s ASN 206 Ca 0.07 -0.02 -0.19 0.00 -0.71 0.00 0.00 52.86 52.00 1f9k s ASN 206 Cb 0.07 -2.00 -0.08 0.00 0.41 0.00 0.00 41.25 39.65 1f9k s ASN 206 CO -0.10 0.05 0.72 -0.69 -1.51 0.00 0.00 177.10 175.57 1f9k s VAL 207 N 1.12 4.58 0.13 1.60 1.01 -1.26 -2.35 120.40 125.22 1f9k s VAL 207 Ca 0.05 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 1f9k s VAL 207 Cb -0.14 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.46 1f9k s VAL 207 CO 0.04 0.21 1.06 -0.83 0.00 0.00 0.00 175.10 175.59 1f9k s GLY 208 N -1.65 -0.12 -0.04 4.51 0.00 -0.51 -1.84 107.32 107.67 1f9k s GLY 208 Ca 0.43 0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.22 1f9k s GLY 208 CO 0.21 1.31 -0.20 1.08 0.00 0.00 0.00 173.10 175.50 1f9k s LEU 209 N -3.18 1.97 0.03 0.66 1.43 -0.55 -0.98 118.68 118.06 1f9k s LEU 209 Ca 0.17 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1f9k s LEU 209 Cb -0.01 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1f9k s LEU 209 CO 0.02 0.19 -0.03 -0.55 0.23 0.00 0.00 176.35 176.21 1f9k s SER 210 N -0.07 0.37 0.04 2.29 0.15 0.28 -0.26 113.70 116.49 1f9k s SER 210 Ca -0.03 -0.71 -0.25 0.00 0.70 0.00 0.00 55.95 55.67 1f9k s SER 210 Cb -0.12 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.39 1f9k s SER 210 CO 0.02 -0.42 0.57 0.00 1.20 0.00 0.00 173.24 174.61 1f9k s ALA 211 N -2.46 -1.47 -0.03 5.45 0.00 -0.58 -0.35 121.76 122.32 1f9k s ALA 211 Ca -0.06 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1f9k s ALA 211 Cb -0.03 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.46 1f9k s ALA 211 CO -0.05 -0.50 0.23 0.95 0.00 0.00 0.00 175.76 176.39 1f9k s THR 212 N -2.28 0.05 0.28 0.00 -4.23 -1.07 -1.81 115.64 106.59 1f9k s THR 212 Ca -0.06 -0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1f9k s THR 212 Cb -0.01 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 1f9k s THR 212 CO -0.00 -0.22 0.35 0.42 -0.54 0.00 0.00 174.62 174.62 1f9k s THR 213 N -0.89 4.54 1.44 3.99 -4.23 -0.17 0.22 115.64 120.54 1f9k s THR 213 Ca -0.10 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 1f9k s THR 213 Cb -0.05 -3.55 0.37 0.00 1.34 0.00 0.00 72.50 70.61 1f9k s THR 213 CO 0.02 -0.27 0.91 -0.83 -0.54 0.00 0.00 174.62 173.92 1f9k s GLY 214 N -4.01 1.40 -0.15 3.99 0.00 -0.60 -3.94 107.32 104.02 1f9k s GLY 214 Ca 0.38 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 1f9k s GLY 214 CO 0.28 0.22 -0.06 -0.97 0.00 0.00 0.00 173.10 172.57 1f9k h TYR 215 N -3.50 0.00 -3.69 1.90 0.99 -1.96 0.28 116.97 110.99 1f9k h TYR 215 Ca -0.43 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 59.76 1f9k h TYR 215 Cb 1.34 0.00 0.20 0.00 1.00 0.00 0.00 36.73 39.28 1f9k h TYR 215 CO -3.37 0.28 -0.26 0.00 -0.00 0.00 0.00 178.16 174.81 1f9k n GLN 216 N -4.61 -0.22 -2.51 4.88 10.64 -1.26 -4.54 117.38 119.76 1f9k n GLN 216 Ca -0.11 -0.01 -0.35 0.00 -1.83 0.00 0.00 57.00 54.70 1f9k n GLN 216 Cb 0.31 -2.05 -0.03 0.00 -0.86 0.00 0.00 30.24 27.60 1f9k n GLN 216 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1f9k s LYS 217 N -3.84 3.96 -1.71 2.61 -2.85 -1.26 -3.24 119.74 113.40 1f9k s LYS 217 Ca 0.62 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 57.06 1f9k s LYS 217 Cb -0.24 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 1f9k s LYS 217 CO 0.62 -0.31 0.00 0.09 0.10 0.00 0.00 175.35 175.85 1f9k n ASN 218 N -0.51 -5.32 -2.36 0.03 4.13 -1.26 -4.77 115.26 105.20 1f9k n ASN 218 Ca 0.07 0.14 -0.31 0.00 1.68 0.00 0.00 54.58 56.16 1f9k n ASN 218 Cb 0.51 -4.40 0.04 0.00 -1.54 0.00 0.00 39.78 34.38 1f9k n ASN 218 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f9k n ALA 219 N -0.82 5.71 -2.61 5.41 0.00 -1.20 -4.13 120.51 122.87 1f9k n ALA 219 Ca -0.21 -3.85 -0.27 0.00 0.00 0.00 0.00 53.44 49.11 1f9k n ALA 219 Cb 0.65 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 1f9k n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1f9k s VAL 220 N -4.93 3.44 0.15 0.00 0.11 -1.26 -1.55 120.40 116.36 1f9k s VAL 220 Ca 0.55 -1.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 1f9k s VAL 220 Cb 0.44 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1f9k s VAL 220 CO -0.10 -0.05 0.11 -1.83 -3.33 0.00 0.00 175.10 169.90 1f9k s GLU 221 N -2.71 1.01 0.17 1.54 -1.05 -1.25 -4.43 118.70 111.97 1f9k s GLU 221 Ca 0.25 -1.41 -0.06 0.00 -0.15 0.00 0.00 54.97 53.60 1f9k s GLU 221 Cb -0.10 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 1f9k s GLU 221 CO 0.16 -0.31 0.43 0.95 0.95 0.00 0.00 175.26 177.44 1f9k s THR 222 N -4.04 5.10 -0.37 1.83 -4.23 0.49 -4.86 115.64 109.55 1f9k s THR 222 Ca 0.24 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1f9k s THR 222 Cb 0.07 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.40 1f9k s THR 222 CO 0.03 -0.00 0.18 -1.00 -0.54 0.00 0.00 174.62 173.29 1f9k s HIS 223 N -1.71 1.49 -0.09 3.99 0.09 -1.26 -3.25 115.29 114.55 1f9k s HIS 223 Ca 0.43 -1.92 0.01 0.00 -0.00 0.00 0.00 55.06 53.58 1f9k s HIS 223 Cb -0.12 -1.54 -0.03 0.00 -0.00 0.00 0.00 32.58 30.90 1f9k s HIS 223 CO 0.24 -0.83 -0.09 -1.21 -0.00 0.00 0.00 174.74 172.85 1f9k s GLU 224 N 1.03 2.92 -0.28 1.40 2.02 -0.93 -1.45 118.70 123.42 1f9k s GLU 224 Ca 0.15 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 1f9k s GLU 224 Cb -0.21 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.47 1f9k s GLU 224 CO -0.10 0.52 -0.03 0.42 0.02 0.00 0.00 175.26 176.10 1f9k s ILE 225 N -0.44 2.83 -0.07 -1.63 -1.09 0.12 -0.35 121.20 120.57 1f9k s ILE 225 Ca 0.06 -1.36 -0.26 0.00 -2.23 0.00 0.00 60.65 56.86 1f9k s ILE 225 Cb -0.12 -2.60 -0.24 0.00 -1.58 0.00 0.00 42.46 37.92 1f9k s ILE 225 CO 0.02 -0.04 0.97 0.40 -1.23 0.00 0.00 174.94 175.07 1f9k h ILE 226 N 6.46 1.60 -3.60 2.92 2.04 -1.07 -1.41 117.51 124.44 1f9k h ILE 226 Ca -0.23 -2.00 -0.12 0.00 1.00 0.00 0.00 64.86 63.52 1f9k h ILE 226 Cb 1.07 2.90 -0.18 0.00 -0.74 0.00 0.00 36.82 39.87 1f9k h ILE 226 CO 0.53 0.54 -0.42 -0.94 0.00 0.00 0.00 178.15 177.85 1f9k s SER 227 N -6.24 0.06 -0.26 1.72 1.04 -1.24 -4.34 113.70 104.44 1f9k s SER 227 Ca -0.17 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 1f9k s SER 227 Cb -0.00 0.27 0.14 0.00 0.10 0.00 0.00 66.02 66.53 1f9k s SER 227 CO 0.72 -0.54 0.51 0.86 0.98 0.00 0.00 173.24 175.77 1f9k s TRP 228 N -2.51 -1.15 0.18 5.02 -0.00 -0.84 -1.82 118.94 117.82 1f9k s TRP 228 Ca -0.06 1.60 0.11 0.00 -0.00 0.00 0.00 56.10 57.75 1f9k s TRP 228 Cb -0.01 0.42 -0.04 0.00 -0.00 0.00 0.00 33.47 33.84 1f9k s TRP 228 CO -0.04 -0.69 -0.24 -1.54 -0.00 0.00 0.00 176.95 174.45 1f9k s SER 229 N 2.73 3.30 0.04 5.86 1.04 0.14 -0.80 113.70 126.01 1f9k s SER 229 Ca 0.07 -0.84 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 1f9k s SER 229 Cb -0.14 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.78 1f9k s SER 229 CO -0.17 0.11 0.40 0.12 0.98 0.00 0.00 173.24 174.68 1f9k s PHE 230 N -1.58 -0.25 -0.29 5.02 2.19 -0.46 0.02 117.98 122.63 1f9k s PHE 230 Ca 0.18 0.21 -0.13 0.00 0.33 0.00 0.00 56.93 57.53 1f9k s PHE 230 Cb -0.08 0.20 0.12 0.00 -1.31 0.00 0.00 43.02 41.95 1f9k s PHE 230 CO 0.09 -0.55 0.73 -0.08 1.83 0.00 0.00 175.22 177.23 1f9k s THR 231 N -2.41 -0.63 0.14 0.12 -1.32 -0.13 -2.24 115.64 109.17 1f9k s THR 231 Ca -0.06 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.49 1f9k s THR 231 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1f9k s THR 231 CO -0.02 0.00 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.39 1f9k s SER 232 N 2.43 4.57 -0.27 8.08 1.04 -0.02 -0.90 113.70 128.64 1f9k s SER 232 Ca -0.07 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1f9k s SER 232 Cb -0.09 -0.92 0.09 0.00 0.10 0.00 0.00 66.02 65.20 1f9k s SER 232 CO -0.19 0.14 0.10 -0.44 0.98 0.00 0.00 173.24 173.83 1f9k s SER 233 N -2.54 3.46 0.00 7.02 0.01 0.10 -2.45 113.70 119.30 1f9k s SER 233 Ca 0.24 -1.25 0.32 0.00 1.31 0.00 0.00 55.95 56.57 1f9k s SER 233 Cb -0.10 -0.52 1.83 0.00 0.21 0.00 0.00 66.02 67.43 1f9k s SER 233 CO 0.16 -0.40 2.18 -0.11 0.41 0.00 0.00 173.24 175.48