#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4k s VAL 2 N 0.00 5.23 0.31 1.69 1.01 -1.26 -4.98 120.40 122.39 1a4k s VAL 2 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1a4k s VAL 2 Cb 0.00 -3.64 0.30 0.00 0.00 0.00 0.00 36.38 33.04 1a4k s VAL 2 CO 0.00 0.49 1.76 -0.61 0.00 0.00 0.00 175.10 176.75 1a4k h GLN 3 N 5.67 0.69 -4.57 2.72 4.15 -1.94 -3.39 115.11 118.46 1a4k h GLN 3 Ca -0.47 -0.04 -0.50 0.00 0.77 0.00 0.00 58.65 58.41 1a4k h GLN 3 Cb 1.20 -0.16 -0.33 0.00 0.21 0.00 0.00 27.48 28.40 1a4k h GLN 3 CO 0.67 0.46 -0.81 -0.51 -1.93 0.00 0.00 178.83 176.72 1a4k s LEU 4 N -10.30 1.66 -0.34 -2.39 1.43 -1.26 0.65 118.68 108.13 1a4k s LEU 4 Ca -0.11 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1a4k s LEU 4 Cb 0.26 -0.76 0.10 0.00 0.03 0.00 0.00 46.19 45.81 1a4k s LEU 4 CO 0.80 0.04 0.05 -0.22 0.23 0.00 0.00 176.35 177.25 1a4k s LEU 5 N 0.57 4.77 0.60 1.79 0.20 -0.49 -4.74 118.68 121.38 1a4k s LEU 5 Ca -0.12 -2.17 -0.16 0.00 0.69 0.00 0.00 54.13 52.38 1a4k s LEU 5 Cb -0.14 -1.63 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1a4k s LEU 5 CO 0.03 -0.38 1.06 -1.61 -0.29 0.00 0.00 176.35 175.16 1a4k s GLU 6 N 0.89 3.28 0.75 1.98 0.41 -1.26 -2.23 118.70 122.52 1a4k s GLU 6 Ca 0.11 1.22 -0.10 0.00 -0.41 0.00 0.00 54.97 55.79 1a4k s GLU 6 Cb -0.19 -2.03 0.06 0.00 -1.78 0.00 0.00 34.13 30.19 1a4k s GLU 6 CO -0.08 -0.84 1.10 -1.54 -0.49 0.00 0.00 175.26 173.40 1a4k s SER 7 N -2.77 4.79 1.07 -0.19 1.04 -0.66 -4.98 113.70 112.01 1a4k s SER 7 Ca 0.64 0.71 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 1a4k s SER 7 Cb -0.16 -1.32 0.22 0.00 0.10 0.00 0.00 66.02 64.86 1a4k s SER 7 CO 0.37 -1.68 1.10 -0.83 0.98 0.00 0.00 173.24 173.18 1a4k s GLY 8 N -4.51 1.57 0.23 7.32 0.00 -1.26 -4.68 107.32 105.98 1a4k s GLY 8 Ca 0.60 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 1a4k s GLY 8 CO 0.48 0.15 1.29 2.56 0.00 0.00 0.00 173.10 177.58 1a4k s PRO 9 N -5.09 4.40 -0.07 2.90 0.04 -1.26 -4.73 135.00 131.19 1a4k s PRO 9 Ca 0.67 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.82 1a4k s PRO 9 Cb -0.16 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1a4k s PRO 9 CO 0.57 -0.20 -0.20 -1.21 0.04 0.00 0.00 177.00 176.00 1a4k s GLU 10 N -0.56 2.67 -0.18 4.56 0.41 -0.82 -5.00 118.70 119.78 1a4k s GLU 10 Ca 0.54 -0.82 -0.04 0.00 -0.41 0.00 0.00 54.97 54.24 1a4k s GLU 10 Cb -0.37 -2.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.67 1a4k s GLU 10 CO 0.41 0.42 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.41 1a4k s LEU 11 N -0.23 3.27 -0.01 1.80 0.20 -1.26 -1.75 118.68 120.69 1a4k s LEU 11 Ca -0.01 -0.15 -0.09 0.00 0.69 0.00 0.00 54.13 54.57 1a4k s LEU 11 Cb -0.13 -1.80 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1a4k s LEU 11 CO 0.03 0.12 0.19 -0.54 -0.29 0.00 0.00 176.35 175.86 1a4k s LYS 12 N 0.63 0.51 0.41 1.98 -0.14 -0.34 -4.97 119.74 117.82 1a4k s LYS 12 Ca -0.01 -0.29 -0.04 0.00 -1.36 0.00 0.00 55.97 54.27 1a4k s LYS 12 Cb -0.14 0.22 -0.04 0.00 -1.68 0.00 0.00 37.83 36.19 1a4k s LYS 12 CO 0.02 -0.13 0.69 0.15 -0.76 0.00 0.00 175.35 175.33 1a4k s LYS 13 N -1.25 3.56 0.26 1.68 1.02 -1.23 -1.44 119.74 122.33 1a4k s LYS 13 Ca -0.13 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 1a4k s LYS 13 Cb -0.06 -2.49 -0.14 0.00 -0.52 0.00 0.00 37.83 34.61 1a4k s LYS 13 CO 0.02 -0.04 1.07 -2.30 -0.92 0.00 0.00 175.35 173.18 1a4k n PRO 14 N -1.89 1.33 0.00 -1.68 -0.02 -1.26 -1.84 135.00 129.64 1a4k n PRO 14 Ca -0.01 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1a4k n PRO 14 Cb 0.55 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1a4k n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4k n GLY 15 N 1.48 2.99 3.56 -1.23 0.00 -0.15 -4.86 105.19 106.98 1a4k n GLY 15 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1a4k n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4k s GLU 16 N -0.23 -1.45 0.15 1.61 2.02 -0.77 -3.54 118.70 116.49 1a4k s GLU 16 Ca 0.00 -0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.03 1a4k s GLU 16 Cb 0.00 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 1a4k s GLU 16 CO 0.00 -3.87 -0.18 0.99 0.02 0.00 0.00 175.26 172.22 1a4k s THR 17 N -2.92 1.73 0.06 3.63 2.01 -1.26 -2.32 115.64 116.57 1a4k s THR 17 Ca 0.71 -1.83 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1a4k s THR 17 Cb -0.10 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1a4k s THR 17 CO 0.56 -0.29 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.41 1a4k s VAL 18 N -1.93 0.79 -0.32 3.82 1.01 -0.35 -5.01 120.40 118.42 1a4k s VAL 18 Ca 0.13 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1a4k s VAL 18 Cb -0.06 -0.86 0.12 0.00 0.00 0.00 0.00 36.38 35.58 1a4k s VAL 18 CO 0.06 -0.34 0.16 -0.75 0.00 0.00 0.00 175.10 174.23 1a4k s LYS 19 N -1.76 0.39 0.33 2.72 2.20 -1.25 -1.51 119.74 120.84 1a4k s LYS 19 Ca -0.05 -0.92 -0.24 0.00 -0.36 0.00 0.00 55.97 54.39 1a4k s LYS 19 Cb -0.09 -1.28 -0.10 0.00 -1.51 0.00 0.00 37.83 34.85 1a4k s LYS 19 CO 0.01 -1.10 0.92 0.42 -0.36 0.00 0.00 175.35 175.23 1a4k s ILE 20 N 1.61 4.29 0.15 5.43 1.01 0.25 -4.85 121.20 129.08 1a4k s ILE 20 Ca 0.13 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.58 1a4k s ILE 20 Cb -0.19 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1a4k s ILE 20 CO -0.20 0.08 -0.23 -0.94 0.00 0.00 0.00 174.94 173.66 1a4k s SER 21 N -1.71 3.03 -0.04 3.58 1.04 -1.26 0.17 113.70 118.51 1a4k s SER 21 Ca 0.51 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 1a4k s SER 21 Cb -0.17 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.79 1a4k s SER 21 CO 0.22 0.09 0.06 0.00 0.98 0.00 0.00 173.24 174.59 1a4k s LYS 23 N 1.96 3.41 0.14 0.00 2.47 -0.95 -0.48 119.74 126.29 1a4k s LYS 23 Ca 0.02 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 53.51 1a4k s LYS 23 Cb -0.12 -3.22 -0.07 0.00 -1.46 0.00 0.00 37.83 32.96 1a4k s LYS 23 CO -0.03 -0.26 0.92 0.00 0.16 0.00 0.00 175.35 176.14 1a4k s ALA 24 N 1.54 3.29 -0.75 3.13 0.00 0.24 -1.39 121.76 127.81 1a4k s ALA 24 Ca 0.05 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 1a4k s ALA 24 Cb -0.15 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1a4k s ALA 24 CO 0.01 0.06 2.34 -1.54 0.00 0.00 0.00 175.76 176.63 1a4k s SER 25 N -0.36 4.15 0.34 0.00 1.04 0.21 -4.75 113.70 114.34 1a4k s SER 25 Ca 0.44 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1a4k s SER 25 Cb -0.24 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1a4k s SER 25 CO 0.29 -3.55 0.00 0.61 0.98 0.00 0.00 173.24 171.58 1a4k n GLY 26 N 6.65 0.88 0.00 7.32 0.00 -1.26 -4.21 105.19 114.58 1a4k n GLY 26 Ca 0.44 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1a4k n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a4k n TYR 27 N 0.00 -0.20 0.00 1.61 4.01 -1.26 -3.76 117.16 117.56 1a4k n TYR 27 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1a4k n TYR 27 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1a4k n TYR 27 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1a4k n THR 28 N -0.20 0.00 0.02 -0.72 -2.24 -1.26 -4.68 114.28 105.20 1a4k n THR 28 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1a4k n THR 28 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1a4k n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1a4k h PHE 29 N 0.00 -0.98 -0.22 4.78 3.57 -1.84 -1.62 116.94 120.63 1a4k h PHE 29 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1a4k h PHE 29 Cb 0.00 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1a4k h PHE 29 CO 0.00 -0.43 0.00 0.25 -2.23 0.00 0.00 178.31 175.90 1a4k n THR 30 N -5.42 0.28 1.25 4.41 -2.24 -1.26 -3.77 114.28 107.53 1a4k n THR 30 Ca -0.04 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1a4k n THR 30 Cb 0.34 0.39 0.31 0.00 -2.10 0.00 0.00 70.33 69.28 1a4k n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a4k n ASN 31 N 0.46 1.97 -4.05 3.42 4.13 -0.63 -4.86 115.26 115.70 1a4k n ASN 31 Ca 0.16 -1.58 -0.09 0.00 1.68 0.00 0.00 54.58 54.75 1a4k n ASN 31 Cb 0.35 0.07 -0.09 0.00 -1.54 0.00 0.00 39.78 38.57 1a4k n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1a4k s TYR 32 N -2.12 0.56 -0.13 3.10 2.02 -1.12 -4.82 117.35 114.83 1a4k s TYR 32 Ca 0.31 -0.99 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 1a4k s TYR 32 Cb 0.20 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1a4k s TYR 32 CO 0.37 -0.52 0.14 0.20 -1.57 0.00 0.00 175.55 174.17 1a4k s GLY 33 N -2.97 2.13 -0.34 0.71 0.00 -0.59 -4.49 107.32 101.78 1a4k s GLY 33 Ca 0.15 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 44.04 1a4k s GLY 33 CO -0.04 -0.29 0.49 1.06 0.00 0.00 0.00 173.10 174.32 1a4k s MET 34 N -0.77 3.68 0.14 2.90 -1.94 -0.99 -1.17 119.30 121.16 1a4k s MET 34 Ca 0.14 -0.13 0.05 0.00 -1.71 0.00 0.00 55.69 54.03 1a4k s MET 34 Cb -0.12 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.90 1a4k s MET 34 CO 0.03 -0.58 0.10 -0.80 -0.01 0.00 0.00 175.02 173.76 1a4k s ASN 35 N 1.73 5.40 -0.15 3.03 0.02 0.30 -0.25 114.94 125.02 1a4k s ASN 35 Ca 0.18 -0.14 0.02 0.00 -1.02 0.00 0.00 52.86 51.90 1a4k s ASN 35 Cb -0.16 -1.38 0.01 0.00 0.02 0.00 0.00 41.25 39.74 1a4k s ASN 35 CO 0.12 0.10 -0.20 0.26 0.02 0.00 0.00 177.10 177.40 1a4k s TRP 36 N -1.65 2.63 -0.04 2.20 0.52 -0.55 0.86 118.94 122.91 1a4k s TRP 36 Ca 0.30 -1.42 0.05 0.00 0.02 0.00 0.00 56.10 55.04 1a4k s TRP 36 Cb -0.10 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1a4k s TRP 36 CO 0.22 -0.68 -0.18 0.54 0.02 0.00 0.00 176.95 176.87 1a4k s VAL 37 N 1.05 1.53 -0.14 4.03 0.11 -0.64 0.05 120.40 126.38 1a4k s VAL 37 Ca -0.02 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1a4k s VAL 37 Cb -0.14 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 1a4k s VAL 37 CO -0.07 0.44 0.09 -0.75 -3.33 0.00 0.00 175.10 171.48 1a4k s LYS 38 N -0.02 3.60 -0.35 1.54 2.20 -0.00 -0.71 119.74 126.00 1a4k s LYS 38 Ca -0.03 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1a4k s LYS 38 Cb -0.12 -3.15 0.11 0.00 -1.51 0.00 0.00 37.83 33.16 1a4k s LYS 38 CO 0.02 0.56 0.13 -1.14 -0.36 0.00 0.00 175.35 174.56 1a4k s GLN 39 N -0.43 1.02 0.59 4.03 0.74 -0.45 -0.31 119.66 124.86 1a4k s GLN 39 Ca 0.10 -1.49 -0.19 0.00 0.05 0.00 0.00 55.36 53.84 1a4k s GLN 39 Cb -0.12 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1a4k s GLN 39 CO 0.02 -1.02 1.19 0.00 -0.55 0.00 0.00 175.29 174.93 1a4k s ALA 40 N 1.14 2.56 -0.37 1.58 0.00 -1.26 -2.39 121.76 123.01 1a4k s ALA 40 Ca 0.12 0.97 -0.39 0.00 0.00 0.00 0.00 51.96 52.67 1a4k s ALA 40 Cb -0.20 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 1a4k s ALA 40 CO -0.15 -1.11 2.07 -0.35 0.00 0.00 0.00 175.76 176.22 1a4k n PRO 41 N -1.57 0.82 -3.44 0.00 -0.04 -1.26 0.02 135.00 129.52 1a4k n PRO 41 Ca 0.13 0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 1a4k n PRO 41 Cb 0.50 -2.14 0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1a4k n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a4k n GLY 42 N 6.24 -0.38 3.22 0.55 0.00 -1.26 -5.02 105.19 108.55 1a4k n GLY 42 Ca 0.41 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 1a4k n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4k s LYS 43 N -5.96 1.08 1.05 1.61 -0.14 0.10 -5.16 119.74 112.33 1a4k s LYS 43 Ca 0.40 -1.53 -0.14 0.00 -1.36 0.00 0.00 55.97 53.35 1a4k s LYS 43 Cb -0.18 -0.11 0.22 0.00 -1.68 0.00 0.00 37.83 36.08 1a4k s LYS 43 CO 0.66 -0.18 1.09 0.20 -0.76 0.00 0.00 175.35 176.36 1a4k s GLY 44 N -3.15 1.56 0.06 -3.33 0.00 -1.26 -4.41 107.32 96.79 1a4k s GLY 44 Ca 0.25 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 1a4k s GLY 44 CO 0.04 0.19 0.76 1.08 0.00 0.00 0.00 173.10 175.17 1a4k s LEU 45 N -6.61 4.47 -0.11 0.66 1.43 -1.26 -4.08 118.68 113.18 1a4k s LEU 45 Ca 0.67 1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1a4k s LEU 45 Cb -0.17 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.84 1a4k s LEU 45 CO 0.58 0.05 -0.08 -0.54 0.23 0.00 0.00 176.35 176.59 1a4k s LYS 46 N -0.22 1.53 0.11 1.70 3.01 0.58 -4.98 119.74 121.46 1a4k s LYS 46 Ca 0.38 -0.26 -0.31 0.00 -1.01 0.00 0.00 55.97 54.77 1a4k s LYS 46 Cb -0.21 -1.58 -0.08 0.00 -1.01 0.00 0.00 37.83 34.95 1a4k s LYS 46 CO 0.23 -0.26 1.47 -0.46 0.51 0.00 0.00 175.35 176.85 1a4k s TRP 47 N 1.68 3.03 -0.12 3.18 -0.00 -1.26 -0.82 118.94 124.62 1a4k s TRP 47 Ca 0.04 0.76 0.16 0.00 -0.00 0.00 0.00 56.10 57.07 1a4k s TRP 47 Cb -0.13 -3.78 -0.22 0.00 -0.00 0.00 0.00 33.47 29.34 1a4k s TRP 47 CO -0.08 -2.87 0.47 -1.33 -0.00 0.00 0.00 176.95 173.14 1a4k n MET 48 N 4.39 0.65 -0.44 5.86 2.81 0.11 -4.78 117.12 125.72 1a4k n MET 48 Ca 0.13 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1a4k n MET 48 Cb 0.41 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1a4k n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a4k n GLY 49 N 1.56 0.77 3.40 3.03 0.00 -1.23 -1.07 105.19 111.65 1a4k n GLY 49 Ca -0.20 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1a4k n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1a4k s TRP 50 N -2.42 -0.44 -0.00 1.61 1.48 -0.54 -1.48 118.94 117.15 1a4k s TRP 50 Ca 0.00 0.45 0.07 0.00 -1.06 0.00 0.00 56.10 55.56 1a4k s TRP 50 Cb 0.00 0.37 -0.03 0.00 -1.16 0.00 0.00 33.47 32.65 1a4k s TRP 50 CO 0.00 -0.67 -0.22 -1.50 -4.06 0.00 0.00 176.95 170.50 1a4k s ILE 51 N -2.64 2.46 -0.28 0.66 2.07 0.65 -1.03 121.20 123.10 1a4k s ILE 51 Ca -0.04 -1.09 -0.29 0.00 -1.41 0.00 0.00 60.65 57.82 1a4k s ILE 51 Cb -0.00 -1.94 0.01 0.00 0.13 0.00 0.00 42.46 40.65 1a4k s ILE 51 CO -0.03 0.49 1.04 0.21 -1.91 0.00 0.00 174.94 174.74 1a4k s ASN 52 N -0.95 7.00 0.00 4.50 3.04 -0.82 -2.35 114.94 125.35 1a4k s ASN 52 Ca 0.12 1.19 0.18 0.00 0.04 0.00 0.00 52.86 54.38 1a4k s ASN 52 Cb -0.10 -2.53 0.69 0.00 -1.54 0.00 0.00 41.25 37.76 1a4k s ASN 52 CO 0.01 -0.77 1.50 0.35 -3.04 0.00 0.00 177.10 175.15 1a4k n THR 1052N 5.60 0.22 -0.11 -5.21 -2.24 -1.26 0.36 114.28 111.64 1a4k n THR 1052Ca 0.12 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1a4k n THR 1052Cb 0.47 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 1a4k n THR 1052CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a4k n TYR 53 N 0.19 0.00 -0.06 4.78 9.36 -1.26 -4.69 117.16 125.48 1a4k n TYR 53 Ca 0.15 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.22 1a4k n TYR 53 Cb 0.28 -0.80 -0.14 0.00 -0.63 0.00 0.00 39.34 38.05 1a4k n TYR 53 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a4k n THR 54 N -3.84 1.58 -0.45 2.97 -1.04 -1.25 -5.02 114.28 107.22 1a4k n THR 54 Ca -0.43 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 1a4k n THR 54 Cb 0.82 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1a4k n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a4k n GLY 55 N 1.89 0.76 3.70 3.41 0.00 0.16 -5.04 105.19 110.06 1a4k n GLY 55 Ca -0.32 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1a4k n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a4k s GLU 56 N -0.62 3.90 0.28 1.61 -1.05 -1.23 -4.76 118.70 116.83 1a4k s GLU 56 Ca 0.00 -0.28 -0.17 0.00 -0.15 0.00 0.00 54.97 54.36 1a4k s GLU 56 Cb 0.00 -3.24 -0.09 0.00 -0.44 0.00 0.00 34.13 30.36 1a4k s GLU 56 CO 0.00 0.38 0.74 -1.25 0.95 0.00 0.00 175.26 176.08 1a4k s PRO 57 N 0.09 4.13 -0.15 -4.83 0.04 -1.26 -1.95 135.00 131.07 1a4k s PRO 57 Ca 0.07 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1a4k s PRO 57 Cb -0.12 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1a4k s PRO 57 CO 0.00 0.26 -0.15 0.99 0.04 0.00 0.00 177.00 178.15 1a4k s THR 58 N -1.77 1.61 -0.06 1.26 2.01 -0.20 -5.00 115.64 113.48 1a4k s THR 58 Ca 0.49 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1a4k s THR 58 Cb -0.13 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1a4k s THR 58 CO 0.19 0.46 0.10 -0.31 -0.69 0.00 0.00 174.62 174.38 1a4k s TYR 59 N 1.43 3.42 0.54 4.92 2.02 -1.26 -1.46 117.35 126.95 1a4k s TYR 59 Ca 0.04 0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.91 1a4k s TYR 59 Cb -0.13 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 1a4k s TYR 59 CO -0.10 0.62 1.05 0.00 -1.57 0.00 0.00 175.55 175.55 1a4k s ALA 60 N -1.09 2.81 0.10 3.71 0.00 -0.23 -4.90 121.76 122.15 1a4k s ALA 60 Ca 0.19 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 1a4k s ALA 60 Cb -0.12 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 1a4k s ALA 60 CO 0.09 -0.56 1.41 -0.44 0.00 0.00 0.00 175.76 176.26 1a4k h ASP 61 N 1.01 -1.41 0.00 0.00 3.32 -1.93 -0.50 116.42 116.90 1a4k h ASP 61 Ca -0.48 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1a4k h ASP 61 Cb 1.22 0.58 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1a4k h ASP 61 CO 0.58 -0.30 0.15 0.47 -1.72 0.00 0.00 179.24 178.42 1a4k n ASP 62 N -4.71 0.18 -0.60 6.45 9.92 -1.26 -1.56 116.55 124.96 1a4k n ASP 62 Ca -0.03 0.48 0.06 0.00 -0.53 0.00 0.00 54.79 54.78 1a4k n ASP 62 Cb 0.26 -0.48 0.21 0.00 -0.64 0.00 0.00 41.12 40.47 1a4k n ASP 62 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1a4k n PHE 63 N -1.69 0.00 -3.26 1.24 3.72 -0.21 -4.98 117.46 112.28 1a4k n PHE 63 Ca -0.00 -1.48 -0.40 0.00 -0.05 0.00 0.00 57.45 55.51 1a4k n PHE 63 Cb 0.16 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 1a4k n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1a4k s LYS 64 N -3.21 3.93 0.00 -1.08 1.02 -0.60 -4.32 119.74 115.48 1a4k s LYS 64 Ca 0.38 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1a4k s LYS 64 Cb 0.37 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1a4k s LYS 64 CO -0.07 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1a4k n GLY 65 N 4.56 1.34 0.20 -3.33 0.00 -1.26 -4.87 105.19 101.83 1a4k n GLY 65 Ca -0.05 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1a4k n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4k n ARG 66 N 0.00 1.26 -4.50 1.61 1.74 -1.26 -4.86 116.66 110.64 1a4k n ARG 66 Ca 0.00 -0.39 -0.32 0.00 -0.77 0.00 0.00 57.85 56.38 1a4k n ARG 66 Cb 0.00 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 1a4k n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a4k s PHE 67 N -1.92 2.78 -0.14 -1.55 0.40 -1.26 -2.48 117.98 113.81 1a4k s PHE 67 Ca 0.27 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1a4k s PHE 67 Cb 0.13 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 42.17 1a4k s PHE 67 CO 0.21 0.34 0.29 0.00 0.70 0.00 0.00 175.22 176.76 1a4k s ALA 68 N -0.99 -0.68 -0.12 5.36 0.00 -0.29 -4.96 121.76 120.08 1a4k s ALA 68 Ca 0.17 1.07 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1a4k s ALA 68 Cb -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1a4k s ALA 68 CO 0.07 -0.57 0.16 -0.06 0.00 0.00 0.00 175.76 175.37 1a4k s PHE 69 N 2.22 3.59 0.20 0.00 0.08 -1.26 -1.53 117.98 121.28 1a4k s PHE 69 Ca -0.01 0.55 -0.01 0.00 0.12 0.00 0.00 56.93 57.57 1a4k s PHE 69 Cb -0.12 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1a4k s PHE 69 CO -0.09 0.67 0.14 -1.54 -0.10 0.00 0.00 175.22 174.29 1a4k s SER 70 N -0.84 0.15 0.20 1.36 1.04 -0.96 -4.79 113.70 109.85 1a4k s SER 70 Ca 0.15 -1.38 0.08 0.00 0.48 0.00 0.00 55.95 55.28 1a4k s SER 70 Cb -0.12 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1a4k s SER 70 CO 0.04 -0.84 -0.16 -0.76 0.98 0.00 0.00 173.24 172.50 1a4k s LEU 71 N -3.16 2.53 -0.40 2.42 1.43 -1.26 -1.74 118.68 118.50 1a4k s LEU 71 Ca 0.39 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1a4k s LEU 71 Cb 0.07 -0.74 0.23 0.00 0.03 0.00 0.00 46.19 45.79 1a4k s LEU 71 CO 0.12 -0.13 0.50 1.21 0.23 0.00 0.00 176.35 178.28 1a4k n GLU 72 N -0.24 0.61 -0.28 1.70 0.00 0.92 -4.98 120.64 118.37 1a4k n GLU 72 Ca -0.09 -3.16 -0.10 0.00 0.00 0.00 0.00 57.16 53.80 1a4k n GLU 72 Cb 0.60 -1.31 -0.09 0.00 0.00 0.00 0.00 31.44 30.64 1a4k n GLU 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1a4k h THR 73 N 2.57 0.00 -0.64 6.31 2.02 -1.96 0.19 112.91 121.41 1a4k h THR 73 Ca 0.10 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.47 1a4k h THR 73 Cb 0.89 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1a4k h THR 73 CO 0.44 0.00 0.59 0.77 0.37 0.00 0.00 175.52 177.69 1a4k h SER 74 N -0.12 0.00 -0.08 4.18 4.64 -1.96 0.35 113.55 120.55 1a4k h SER 74 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1a4k h SER 74 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1a4k h SER 74 CO -0.71 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.25 1a4k n ALA 75 N -2.45 2.45 -3.96 5.18 0.00 0.38 -4.97 120.51 117.14 1a4k n ALA 75 Ca 0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 1a4k n ALA 75 Cb 0.83 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 19.60 1a4k n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a4k n SER 76 N 1.14 -3.30 -4.28 0.00 7.64 0.12 -4.66 113.62 110.28 1a4k n SER 76 Ca 0.13 -0.87 -0.28 0.00 1.01 0.00 0.00 58.87 58.86 1a4k n SER 76 Cb 0.51 -3.55 -0.15 0.00 -1.01 0.00 0.00 64.21 60.01 1a4k n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a4k s THR 77 N -3.45 1.84 0.04 0.44 2.01 -0.81 -0.59 115.64 115.13 1a4k s THR 77 Ca 0.49 -1.18 0.09 0.00 0.31 0.00 0.00 61.69 61.39 1a4k s THR 77 Cb -0.25 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1a4k s THR 77 CO 0.86 0.35 -0.24 0.00 -0.69 0.00 0.00 174.62 174.90 1a4k s ALA 78 N -0.72 2.36 0.01 7.40 0.00 0.36 -0.05 121.76 131.12 1a4k s ALA 78 Ca 0.09 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1a4k s ALA 78 Cb -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1a4k s ALA 78 CO 0.01 0.55 -0.20 0.71 0.00 0.00 0.00 175.76 176.83 1a4k s TYR 79 N -0.84 1.76 -0.17 0.00 2.02 -0.71 -0.12 117.35 119.27 1a4k s TYR 79 Ca 0.13 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1a4k s TYR 79 Cb -0.10 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 1a4k s TYR 79 CO 0.03 0.02 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.75 1a4k s LEU 80 N -0.75 2.68 -0.05 -1.29 0.20 0.13 -2.27 118.68 117.33 1a4k s LEU 80 Ca 0.07 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.53 1a4k s LEU 80 Cb -0.08 -1.64 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1a4k s LEU 80 CO 0.00 0.06 -0.18 -1.58 -0.29 0.00 0.00 176.35 174.36 1a4k s GLN 81 N 0.96 1.91 -0.04 1.98 0.74 -0.58 0.85 119.66 125.48 1a4k s GLN 81 Ca -0.02 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.75 1a4k s GLN 81 Cb -0.15 -1.65 0.01 0.00 1.10 0.00 0.00 33.01 32.32 1a4k s GLN 81 CO -0.01 0.27 -0.07 0.42 -0.55 0.00 0.00 175.29 175.34 1a4k s ILE 82 N 0.01 0.70 0.23 -2.34 1.01 -0.57 -1.13 121.20 119.10 1a4k s ILE 82 Ca -0.04 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.44 1a4k s ILE 82 Cb -0.12 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1a4k s ILE 82 CO 0.02 0.24 -0.18 0.54 0.00 0.00 0.00 174.94 175.57 1a4k s ASN 1082N 0.53 3.05 -0.61 3.58 2.20 -1.04 -1.21 114.94 121.44 1a4k s ASN 1082Ca -0.08 -0.99 -0.04 0.00 -0.94 0.00 0.00 52.86 50.81 1a4k s ASN 1082Cb -0.12 -0.21 0.00 0.00 -2.00 0.00 0.00 41.25 38.93 1a4k s ASN 1082CO 0.01 -0.05 0.51 0.59 -2.94 0.00 0.00 177.10 175.23 1a4k n ASN 2082N -0.32 -3.94 -4.47 3.54 4.13 -1.15 -4.85 115.26 108.20 1a4k n ASN 2082Ca -0.08 -0.23 -0.59 0.00 1.68 0.00 0.00 54.58 55.36 1a4k n ASN 2082Cb 0.59 -2.52 -0.10 0.00 -1.54 0.00 0.00 39.78 36.22 1a4k n ASN 2082CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1a4k n LEU 3082N -2.48 1.45 -4.99 3.41 4.32 -0.98 -4.43 117.00 113.30 1a4k n LEU 3082Ca 0.00 0.78 -0.20 0.00 -0.02 0.00 0.00 56.01 56.57 1a4k n LEU 3082Cb 0.53 -1.02 0.05 0.00 -1.62 0.00 0.00 43.42 41.36 1a4k n LEU 3082CO 0.28 -0.71 0.36 -0.54 -1.22 0.00 0.00 177.39 175.56 1a4k s LYS 83 N 5.06 2.38 0.45 3.23 1.02 -1.26 -0.98 119.74 129.64 1a4k s LYS 83 Ca 1.11 -1.08 0.25 0.00 0.02 0.00 0.00 55.97 56.27 1a4k s LYS 83 Cb -1.27 -2.54 0.82 0.00 -0.52 0.00 0.00 37.83 34.32 1a4k s LYS 83 CO 0.65 -0.80 1.78 -0.91 -0.92 0.00 0.00 175.35 175.15 1a4k h ASN 84 N 0.08 0.00 0.50 2.83 2.35 -1.92 -3.02 115.58 116.40 1a4k h ASN 84 Ca -0.39 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1a4k h ASN 84 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 1a4k h ASN 84 CO 0.46 0.17 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.95 1a4k h GLU 85 N 0.00 0.00 -0.01 0.81 3.07 -1.93 -1.98 114.58 114.54 1a4k h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a4k h GLU 85 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1a4k h GLU 85 CO 0.02 0.13 0.00 -0.25 -1.40 0.00 0.00 179.01 177.51 1a4k n ASP 86 N -3.52 0.08 -4.65 1.42 8.00 -1.14 -4.75 116.55 111.98 1a4k n ASP 86 Ca -0.01 -1.43 -0.43 0.00 0.71 0.00 0.00 54.79 53.63 1a4k n ASP 86 Cb 0.27 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1a4k n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a4k s THR 87 N -1.99 3.92 -0.37 -3.53 2.01 -0.74 -4.76 115.64 110.18 1a4k s THR 87 Ca 0.28 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1a4k s THR 87 Cb 0.13 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1a4k s THR 87 CO 0.22 -0.22 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1a4k n ALA 88 N 7.45 0.00 -2.85 7.40 0.00 -0.69 -4.30 120.51 127.51 1a4k n ALA 88 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1a4k n ALA 88 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 1a4k n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a4k s THR 89 N -2.60 4.30 -0.26 0.00 2.01 -1.01 -0.42 115.64 117.67 1a4k s THR 89 Ca 0.00 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1a4k s THR 89 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1a4k s THR 89 CO 0.00 0.50 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.11 1a4k s TYR 90 N 0.11 3.07 -0.06 4.92 2.02 0.77 -1.34 117.35 126.85 1a4k s TYR 90 Ca 0.02 -1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 55.33 1a4k s TYR 90 Cb -0.13 -2.13 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 1a4k s TYR 90 CO 0.02 -0.65 0.33 -0.06 -1.57 0.00 0.00 175.55 173.63 1a4k s PHE 91 N 1.41 3.64 -0.26 2.71 0.08 0.12 -0.94 117.98 124.74 1a4k s PHE 91 Ca 0.02 0.82 -0.13 0.00 0.12 0.00 0.00 56.93 57.76 1a4k s PHE 91 Cb -0.16 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1a4k s PHE 91 CO -0.02 0.57 0.29 0.00 -0.10 0.00 0.00 175.22 175.95 1a4k s VAL 93 N 1.72 1.55 -0.20 0.00 1.01 0.25 -0.92 120.40 123.80 1a4k s VAL 93 Ca 0.12 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1a4k s VAL 93 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1a4k s VAL 93 CO 0.09 0.45 0.73 -1.10 0.00 0.00 0.00 175.10 175.27 1a4k s GLN 94 N 0.87 4.22 0.07 2.72 -0.21 -0.41 0.11 119.66 127.02 1a4k s GLN 94 Ca -0.09 0.80 0.07 0.00 0.02 0.00 0.00 55.36 56.16 1a4k s GLN 94 Cb -0.15 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1a4k s GLN 94 CO 0.00 -0.34 -0.16 0.00 -2.12 0.00 0.00 175.29 172.67 1a4k s ALA 95 N 2.23 2.71 -0.17 6.09 0.00 -0.32 -1.34 121.76 130.96 1a4k s ALA 95 Ca 0.33 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1a4k s ALA 95 Cb -0.16 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1a4k s ALA 95 CO 0.10 0.59 0.13 -2.00 0.00 0.00 0.00 175.76 174.58 1a4k s GLU 96 N -1.74 3.94 0.09 0.00 -6.30 -0.70 -1.54 118.70 112.46 1a4k s GLU 96 Ca 0.17 -0.20 -0.21 0.00 -2.50 0.00 0.00 54.97 52.22 1a4k s GLU 96 Cb -0.11 -3.33 -0.11 0.00 0.00 0.00 0.00 34.13 30.58 1a4k s GLU 96 CO 0.08 0.45 1.67 -0.09 0.02 0.00 0.00 175.26 177.39 1a4k h ARG 97 N 6.14 0.19 -0.58 4.30 2.43 -1.89 -0.66 114.38 124.31 1a4k h ARG 97 Ca -0.45 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1a4k h ARG 97 Cb 1.18 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1a4k h ARG 97 CO 0.70 0.23 0.21 -0.07 -1.51 0.00 0.00 179.97 179.53 1a4k h LEU 98 N 0.10 0.82 0.00 3.80 4.07 -1.99 -3.05 115.31 119.06 1a4k h LEU 98 Ca 0.05 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1a4k h LEU 98 Cb 0.10 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1a4k h LEU 98 CO -0.01 0.79 -0.77 0.54 -1.08 0.00 0.00 178.44 177.91 1a4k n ARG 99 N -4.45 0.12 -3.53 1.13 1.74 -1.25 -4.98 116.66 105.45 1a4k n ARG 99 Ca 0.03 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.92 1a4k n ARG 99 Cb 0.18 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1a4k n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a4k n ARG 100 N -1.71 -4.65 -4.39 5.56 1.74 -0.27 -5.00 116.66 107.94 1a4k n ARG 100 Ca 0.04 0.73 -0.23 0.00 -0.77 0.00 0.00 57.85 57.61 1a4k n ARG 100 Cb 0.38 -5.43 -0.11 0.00 -1.02 0.00 0.00 32.46 26.27 1a4k n ARG 100 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a4k s THR 1100N -3.50 2.09 -0.84 0.55 -4.23 -1.11 -4.96 115.64 103.65 1a4k s THR 1100Ca 0.13 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 1a4k s THR 1100Cb -0.03 -2.04 0.19 0.00 1.34 0.00 0.00 72.50 71.96 1a4k s THR 1100CO 0.78 -0.32 0.85 -0.36 -0.54 0.00 0.00 174.62 175.03 1a4k s PHE 2100N -2.17 3.57 0.02 3.99 0.08 -1.26 -1.71 117.98 120.50 1a4k s PHE 2100Ca 0.21 -1.80 -0.27 0.00 0.12 0.00 0.00 56.93 55.18 1a4k s PHE 2100Cb -0.05 -3.94 -0.16 0.00 -0.57 0.00 0.00 43.02 38.29 1a4k s PHE 2100CO 0.09 -1.12 1.28 -0.44 -0.10 0.00 0.00 175.22 174.92 1a4k h ASP 101 N 8.10 -0.61 -3.21 1.36 5.19 -1.57 -3.44 116.42 122.25 1a4k h ASP 101 Ca 0.10 -0.06 -0.65 0.00 -0.62 0.00 0.00 57.03 55.81 1a4k h ASP 101 Cb 1.04 0.16 -0.34 0.00 0.18 0.00 0.00 39.33 40.36 1a4k h ASP 101 CO 0.86 -0.27 -0.86 -0.47 -3.12 0.00 0.00 179.24 175.38 1a4k s TYR 102 N -4.98 2.46 -0.16 4.55 5.04 -1.12 -5.02 117.35 118.12 1a4k s TYR 102 Ca -0.15 -1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 53.16 1a4k s TYR 102 Cb 0.02 -1.70 -0.04 0.00 0.35 0.00 0.00 41.96 40.59 1a4k s TYR 102 CO 0.52 -0.59 0.07 -1.58 -1.34 0.00 0.00 175.55 172.63 1a4k s TRP 103 N 0.93 3.31 0.97 4.97 0.52 -1.26 -1.29 118.94 127.08 1a4k s TRP 103 Ca -0.05 0.19 -0.14 0.00 0.02 0.00 0.00 56.10 56.12 1a4k s TRP 103 Cb -0.15 -2.03 0.17 0.00 -1.15 0.00 0.00 33.47 30.31 1a4k s TRP 103 CO -0.03 0.30 1.15 0.20 0.02 0.00 0.00 176.95 178.59 1a4k s GLY 104 N 0.01 1.60 0.61 0.98 0.00 -0.10 -4.92 107.32 105.49 1a4k s GLY 104 Ca 0.07 -0.64 0.39 0.00 0.00 0.00 0.00 44.72 44.53 1a4k s GLY 104 CO 0.01 -0.01 2.17 0.00 0.00 0.00 0.00 173.10 175.26 1a4k h ALA 105 N -1.70 1.01 0.00 3.20 0.00 -1.89 -3.43 119.26 116.45 1a4k h ALA 105 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a4k h ALA 105 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a4k h ALA 105 CO 0.55 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1a4k n GLY 106 N -0.50 -0.34 3.25 0.00 0.00 -1.26 -5.00 105.19 101.33 1a4k n GLY 106 Ca -0.01 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1a4k n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 107 N -2.26 2.25 -0.04 2.61 2.01 -0.11 -4.88 115.64 115.21 1a4k s THR 107 Ca 0.00 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 1a4k s THR 107 Cb 0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1a4k s THR 107 CO 0.00 0.55 0.38 -0.89 -0.69 0.00 0.00 174.62 173.97 1a4k s THR 108 N 0.36 5.12 -0.14 -0.82 2.01 -1.26 -0.16 115.64 120.75 1a4k s THR 108 Ca -0.17 0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1a4k s THR 108 Cb -0.18 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1a4k s THR 108 CO 0.08 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 1a4k s VAL 109 N -0.68 2.53 -0.25 3.82 1.01 0.44 -1.95 120.40 125.32 1a4k s VAL 109 Ca 0.22 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1a4k s VAL 109 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1a4k s VAL 109 CO 0.11 0.53 -0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1a4k s THR 110 N 0.64 2.26 -0.50 3.92 2.01 -0.72 -1.70 115.64 121.55 1a4k s THR 110 Ca -0.09 -1.43 -0.16 0.00 0.31 0.00 0.00 61.69 60.32 1a4k s THR 110 Cb -0.16 -2.24 0.09 0.00 0.01 0.00 0.00 72.50 70.20 1a4k s THR 110 CO 0.02 0.10 0.45 -0.69 -0.69 0.00 0.00 174.62 173.81 1a4k s VAL 111 N 1.17 5.21 0.06 3.82 1.01 -1.25 -1.20 120.40 129.21 1a4k s VAL 111 Ca -0.05 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 1a4k s VAL 111 Cb -0.18 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.01 1a4k s VAL 111 CO -0.06 -0.70 0.37 -0.94 0.00 0.00 0.00 175.10 173.76 1a4k s SER 112 N 2.98 -0.21 0.26 3.32 1.04 -0.52 -4.72 113.70 115.85 1a4k s SER 112 Ca 0.04 -0.15 0.24 0.00 0.48 0.00 0.00 55.95 56.56 1a4k s SER 112 Cb -0.26 0.41 0.43 0.00 0.10 0.00 0.00 66.02 66.70 1a4k s SER 112 CO 0.06 -0.69 1.50 0.28 0.98 0.00 0.00 173.24 175.37 1a4k h SER 113 N 2.94 0.00 -4.19 7.02 0.02 -1.95 -3.27 113.55 114.12 1a4k h SER 113 Ca -0.32 -0.05 -0.52 0.00 -0.84 0.00 0.00 61.79 60.06 1a4k h SER 113 Cb 1.21 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.88 1a4k h SER 113 CO 0.45 0.02 0.38 0.00 -1.14 0.00 0.00 176.83 176.55 1a4k s ALA 114 N -3.19 2.27 0.48 3.77 0.00 -1.26 -5.00 121.76 118.83 1a4k s ALA 114 Ca 0.07 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.80 1a4k s ALA 114 Cb 0.10 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1a4k s ALA 114 CO 0.68 -1.62 0.67 0.45 0.00 0.00 0.00 175.76 175.94 1a4k s SER 115 N -2.29 5.46 1.11 0.00 0.15 -1.26 -4.99 113.70 111.87 1a4k s SER 115 Ca 0.71 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 1a4k s SER 115 Cb -0.25 -0.69 0.24 0.00 -1.71 0.00 0.00 66.02 63.61 1a4k s SER 115 CO 0.44 -0.96 1.07 -0.89 1.20 0.00 0.00 173.24 174.10 1a4k s THR 116 N -2.54 1.87 -0.30 6.45 2.01 -1.26 -4.77 115.64 117.09 1a4k s THR 116 Ca 0.56 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.40 1a4k s THR 116 Cb -0.10 -2.38 0.18 0.00 0.01 0.00 0.00 72.50 70.20 1a4k s THR 116 CO 0.36 0.00 1.10 -0.75 -0.69 0.00 0.00 174.62 174.64 1a4k s LYS 117 N -4.97 0.20 0.79 4.92 2.20 -0.14 -4.89 119.74 117.84 1a4k s LYS 117 Ca 0.67 0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 56.65 1a4k s LYS 117 Cb -0.18 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.48 1a4k s LYS 117 CO 0.59 -0.06 1.09 0.20 -0.36 0.00 0.00 175.35 176.80 1a4k s GLY 118 N 2.19 1.66 0.34 5.54 0.00 -1.26 -1.08 107.32 114.70 1a4k s GLY 118 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1a4k s GLY 118 CO -0.17 0.55 0.56 2.56 0.00 0.00 0.00 173.10 176.61 1a4k s PRO 119 N -4.93 3.53 -0.19 2.90 0.04 -1.26 -4.33 135.00 130.75 1a4k s PRO 119 Ca 0.61 -0.21 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 1a4k s PRO 119 Cb -0.17 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1a4k s PRO 119 CO 0.56 0.15 0.07 -1.12 0.04 0.00 0.00 177.00 176.70 1a4k s SER 120 N -3.78 5.58 -0.32 6.66 0.01 -0.39 -4.92 113.70 116.54 1a4k s SER 120 Ca 0.41 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.61 1a4k s SER 120 Cb -0.10 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1a4k s SER 120 CO 0.35 0.14 0.18 -0.69 0.41 0.00 0.00 173.24 173.63 1a4k s VAL 121 N 0.59 4.82 0.03 3.43 1.01 -1.26 -2.04 120.40 126.97 1a4k s VAL 121 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1a4k s VAL 121 Cb -0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1a4k s VAL 121 CO 0.01 0.05 -0.06 -0.36 0.00 0.00 0.00 175.10 174.74 1a4k s PHE 122 N 1.65 2.88 0.76 5.22 0.08 0.20 -4.97 117.98 123.79 1a4k s PHE 122 Ca 0.05 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.93 1a4k s PHE 122 Cb -0.17 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1a4k s PHE 122 CO 0.08 0.40 1.12 -1.25 -0.10 0.00 0.00 175.22 175.46 1a4k s PRO 123 N -1.65 2.42 -0.52 0.24 0.05 -1.26 0.10 135.00 134.38 1a4k s PRO 123 Ca 0.19 0.39 0.06 0.00 0.05 0.00 0.00 61.00 61.69 1a4k s PRO 123 Cb -0.11 -1.98 0.21 0.00 0.05 0.00 0.00 34.50 32.67 1a4k s PRO 123 CO 0.10 -1.33 0.52 1.28 0.05 0.00 0.00 177.00 177.62 1a4k n LEU 124 N -3.19 1.42 -4.52 -3.56 4.32 -0.96 -4.64 117.00 105.87 1a4k n LEU 124 Ca 0.07 -4.89 -0.54 0.00 -0.02 0.00 0.00 56.01 50.63 1a4k n LEU 124 Cb 0.58 0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.35 1a4k n LEU 124 CO 0.57 1.95 0.58 0.00 -1.22 0.00 0.00 177.39 179.27 1a4k n ALA 125 N 1.75 -2.37 -1.82 -1.18 0.00 -1.26 -1.49 120.51 114.14 1a4k n ALA 125 Ca 0.25 0.53 -0.28 0.00 0.00 0.00 0.00 53.44 53.94 1a4k n ALA 125 Cb 0.45 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 1a4k n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a4k n PRO 126 N 1.67 1.28 -1.93 0.00 -0.04 -1.26 -4.31 135.00 130.40 1a4k n PRO 126 Ca 0.18 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1a4k n PRO 126 Cb 0.17 -3.64 0.00 0.00 -0.04 0.00 0.00 33.50 29.99 1a4k n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a4k n SER 127 N 14.43 -9.06 0.17 3.54 7.64 -1.26 -4.70 113.62 124.37 1a4k n SER 127 Ca 0.45 1.33 0.12 0.00 1.01 0.00 0.00 58.87 61.78 1a4k n SER 127 Cb 0.46 -4.95 0.14 0.00 -1.01 0.00 0.00 64.21 58.85 1a4k n SER 127 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1a4k h SER 128 N 3.61 0.00 0.00 6.43 4.64 -1.95 -3.37 113.55 122.92 1a4k h SER 128 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a4k h SER 128 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a4k h SER 128 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1a4k n LYS 129 N -2.84 0.02 -3.76 4.77 5.02 -1.26 -5.00 118.16 115.11 1a4k n LYS 129 Ca 0.03 -0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 55.75 1a4k n LYS 129 Cb 0.52 -0.52 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1a4k n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a4k s SER 130 N -0.01 5.13 0.15 4.39 0.15 -1.26 -5.06 113.70 117.19 1a4k s SER 130 Ca 0.00 -3.05 0.11 0.00 0.70 0.00 0.00 55.95 53.71 1a4k s SER 130 Cb 0.00 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 1a4k s SER 130 CO 0.00 -0.31 -0.23 -0.89 1.20 0.00 0.00 173.24 173.02 1a4k s THR 131 N -0.34 2.49 -0.00 6.45 2.01 -1.26 -4.60 115.64 120.39 1a4k s THR 131 Ca 0.19 -1.78 -0.01 0.00 0.31 0.00 0.00 61.69 60.39 1a4k s THR 131 Cb -0.19 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1a4k s THR 131 CO -0.04 0.01 0.02 -1.20 -0.69 0.00 0.00 174.62 172.72 1a4k n SER 132 N 0.61 -5.75 0.00 3.53 7.64 -1.26 -5.08 113.62 113.32 1a4k n SER 132 Ca -0.15 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1a4k n SER 132 Cb 0.54 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.27 1a4k n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4k n GLY 133 N 1.06 -0.46 5.42 0.23 0.00 -1.26 -5.07 105.19 105.11 1a4k n GLY 133 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1a4k n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4k n GLY 134 N 0.00 1.86 3.46 -0.02 0.00 -1.26 -4.82 105.19 104.40 1a4k n GLY 134 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1a4k n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a4k s THR 135 N 0.00 2.70 0.35 2.61 -4.23 -1.26 0.20 115.64 116.02 1a4k s THR 135 Ca 0.00 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1a4k s THR 135 Cb 0.00 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1a4k s THR 135 CO 0.00 0.14 0.19 0.00 -0.54 0.00 0.00 174.62 174.40 1a4k s ALA 136 N -1.09 3.60 0.00 3.99 0.00 0.45 -4.65 121.76 124.07 1a4k s ALA 136 Ca 0.17 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1a4k s ALA 136 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1a4k s ALA 136 CO 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 175.76 175.83 1a4k n ALA 137 N -1.22 0.00 -1.57 0.00 0.00 -1.26 -3.24 120.51 113.22 1a4k n ALA 137 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a4k n ALA 137 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1a4k n ALA 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a4k n LEU 138 N 0.00 -4.67 0.00 0.00 0.00 -1.24 -4.32 117.00 106.77 1a4k n LEU 138 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 56.01 58.05 1a4k n LEU 138 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 43.42 41.03 1a4k n LEU 138 CO 0.00 -1.26 0.00 0.61 0.00 0.00 0.00 177.39 176.74 1a4k n GLY 139 N 1.21 1.88 3.19 -3.96 0.00 -0.55 -1.64 105.19 105.31 1a4k n GLY 139 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1a4k n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4k s LEU 141 N 0.08 3.15 -0.32 0.00 2.96 0.11 -1.74 118.68 122.91 1a4k s LEU 141 Ca -0.01 -0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 1a4k s LEU 141 Cb -0.02 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 45.07 1a4k s LEU 141 CO 0.01 -0.13 0.07 0.54 -1.32 0.00 0.00 176.35 175.52 1a4k s VAL 142 N 1.30 3.55 0.21 1.68 0.11 -0.17 -0.63 120.40 126.44 1a4k s VAL 142 Ca -0.00 -1.19 0.03 0.00 -2.93 0.00 0.00 61.98 57.89 1a4k s VAL 142 Cb -0.17 -3.01 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 1a4k s VAL 142 CO -0.05 -0.14 -0.02 -1.59 -3.33 0.00 0.00 175.10 169.97 1a4k s LYS 143 N 1.36 1.26 -0.93 1.54 -2.85 -0.87 -1.28 119.74 117.97 1a4k s LYS 143 Ca -0.03 -1.62 -0.05 0.00 -1.00 0.00 0.00 55.97 53.28 1a4k s LYS 143 Cb -0.19 -0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 34.96 1a4k s LYS 143 CO 0.02 -0.08 0.81 -0.25 0.10 0.00 0.00 175.35 175.96 1a4k n ASP 144 N -0.36 -5.82 -4.43 0.03 8.00 -0.29 -1.27 116.55 112.42 1a4k n ASP 144 Ca -0.06 -0.62 -0.21 0.00 0.71 0.00 0.00 54.79 54.61 1a4k n ASP 144 Cb 0.63 -4.65 -0.10 0.00 -0.02 0.00 0.00 41.12 36.98 1a4k n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1a4k s TYR 145 N -3.34 1.91 -0.29 1.24 -0.85 -1.12 -4.20 117.35 110.71 1a4k s TYR 145 Ca 0.38 -0.82 -0.24 0.00 -0.52 0.00 0.00 57.07 55.87 1a4k s TYR 145 Cb -0.05 -1.16 0.16 0.00 0.38 0.00 0.00 41.96 41.29 1a4k s TYR 145 CO 0.65 0.15 1.23 0.12 -1.52 0.00 0.00 175.55 176.18 1a4k s PHE 146 N -3.16 -0.26 0.15 -3.49 2.19 -0.24 -1.22 117.98 111.95 1a4k s PHE 146 Ca 0.32 0.62 0.01 0.00 0.33 0.00 0.00 56.93 58.21 1a4k s PHE 146 Cb 0.06 0.40 0.03 0.00 -1.31 0.00 0.00 43.02 42.20 1a4k s PHE 146 CO 0.13 -0.13 0.21 -0.35 1.83 0.00 0.00 175.22 176.91 1a4k n PRO 147 N 2.07 0.71 -1.02 10.12 -0.04 -1.26 -0.97 135.00 144.60 1a4k n PRO 147 Ca -0.12 -0.69 -0.31 0.00 -0.04 0.00 0.00 63.50 62.34 1a4k n PRO 147 Cb 0.56 -0.10 0.13 0.00 -0.04 0.00 0.00 33.50 34.05 1a4k n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a4k s GLU 148 N -2.79 1.63 0.53 0.54 2.02 -1.26 -4.77 118.70 114.59 1a4k s GLU 148 Ca 0.15 1.29 0.05 0.00 0.02 0.00 0.00 54.97 56.48 1a4k s GLU 148 Cb -0.01 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.43 1a4k s GLU 148 CO 0.10 -2.12 0.33 -1.25 0.02 0.00 0.00 175.26 172.33 1a4k s PRO 149 N -4.80 2.25 0.18 0.39 0.04 -1.26 -4.94 135.00 126.87 1a4k s PRO 149 Ca 0.64 -2.06 0.11 0.00 0.04 0.00 0.00 61.00 59.72 1a4k s PRO 149 Cb -0.20 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1a4k s PRO 149 CO 0.57 -0.55 -0.23 0.08 0.04 0.00 0.00 177.00 176.91 1a4k s VAL 150 N -2.77 2.26 -0.07 -0.36 1.01 -1.26 -4.34 120.40 114.85 1a4k s VAL 150 Ca 0.30 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.32 1a4k s VAL 150 Cb -0.01 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1a4k s VAL 150 CO 0.18 -0.14 -0.16 0.42 0.00 0.00 0.00 175.10 175.41 1a4k s THR 151 N -1.69 1.41 -0.13 3.92 -4.23 -0.13 -4.95 115.64 109.83 1a4k s THR 151 Ca 0.19 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 1a4k s THR 151 Cb -0.08 -1.25 0.02 0.00 1.34 0.00 0.00 72.50 72.53 1a4k s THR 151 CO 0.09 0.41 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.76 1a4k s VAL 152 N 0.52 1.45 0.40 2.29 1.01 -1.26 -1.16 120.40 123.64 1a4k s VAL 152 Ca -0.15 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1a4k s VAL 152 Cb -0.16 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 1a4k s VAL 152 CO 0.05 0.44 0.00 -0.94 0.00 0.00 0.00 175.10 174.65 1a4k s SER 153 N 1.38 3.91 -0.12 3.32 1.04 -0.93 -4.98 113.70 117.32 1a4k s SER 153 Ca 0.02 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.16 1a4k s SER 153 Cb -0.13 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.60 1a4k s SER 153 CO -0.08 -0.40 -0.13 0.26 0.98 0.00 0.00 173.24 173.87 1a4k s TRP 154 N -2.67 1.88 -1.48 5.02 0.52 -1.26 -1.64 118.94 119.31 1a4k s TRP 154 Ca 0.35 -0.94 -0.05 0.00 0.02 0.00 0.00 56.10 55.48 1a4k s TRP 154 Cb 0.08 -1.40 0.01 0.00 -1.15 0.00 0.00 33.47 31.00 1a4k s TRP 154 CO 0.18 -0.52 0.66 0.09 0.02 0.00 0.00 176.95 177.38 1a4k n ASN 155 N 4.49 -6.02 -1.52 2.95 5.03 -0.39 -0.96 115.26 118.83 1a4k n ASN 155 Ca -0.17 -0.31 -0.14 0.00 0.87 0.00 0.00 54.58 54.82 1a4k n ASN 155 Cb 0.51 -4.81 -0.02 0.00 -1.02 0.00 0.00 39.78 34.43 1a4k n ASN 155 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1a4k n SER 156 N -2.42 -4.49 0.00 6.41 7.64 -1.26 -2.09 113.62 117.41 1a4k n SER 156 Ca -0.09 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1a4k n SER 156 Cb 0.61 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.25 1a4k n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4k n GLY 157 N -1.06 0.19 0.06 0.23 0.00 -0.81 -4.96 105.19 98.84 1a4k n GLY 157 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1a4k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4k h ALA 158 N 0.00 -0.04 -2.39 4.61 0.00 -0.92 -3.40 119.26 117.11 1a4k h ALA 158 Ca 0.00 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.20 1a4k h ALA 158 Cb 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 1a4k h ALA 158 CO 0.00 -0.44 0.17 -1.17 0.00 0.00 0.00 179.25 177.81 1a4k s LEU 159 N -9.85 4.14 0.00 0.00 0.20 -0.13 -4.84 118.68 108.20 1a4k s LEU 159 Ca -0.14 0.47 0.00 0.00 0.69 0.00 0.00 54.13 55.14 1a4k s LEU 159 Cb 0.04 -2.84 0.00 0.00 -0.43 0.00 0.00 46.19 42.96 1a4k s LEU 159 CO 0.66 -0.48 0.00 0.41 -0.29 0.00 0.00 176.35 176.64 1a4k n THR 160 N 5.39 0.00 -2.91 3.68 -1.04 -1.26 -4.05 114.28 114.09 1a4k n THR 160 Ca -0.01 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1a4k n THR 160 Cb 0.49 0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 69.57 1a4k n THR 160 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1a4k s SER 161 N -0.81 7.13 0.00 8.00 0.15 -1.26 -3.68 113.70 123.24 1a4k s SER 161 Ca 0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1a4k s SER 161 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1a4k s SER 161 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1a4k n GLY 162 N 3.05 1.71 3.72 9.45 0.00 -1.26 -4.54 105.19 117.32 1a4k n GLY 162 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a4k n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4k s VAL 163 N -2.93 2.59 -0.23 1.61 1.01 -1.24 -3.62 120.40 117.59 1a4k s VAL 163 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1a4k s VAL 163 Cb 0.00 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 33.18 1a4k s VAL 163 CO 0.00 0.04 0.11 -1.00 0.00 0.00 0.00 175.10 174.25 1a4k s HIS 164 N 0.93 0.34 -0.30 5.22 3.76 0.14 -4.99 115.29 120.38 1a4k s HIS 164 Ca 0.68 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.83 1a4k s HIS 164 Cb -0.44 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 1a4k s HIS 164 CO 0.34 -0.68 0.22 0.99 -0.85 0.00 0.00 174.74 174.76 1a4k s THR 165 N 2.09 5.29 0.45 1.30 2.01 -1.26 -0.62 115.64 124.90 1a4k s THR 165 Ca 0.05 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1a4k s THR 165 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1a4k s THR 165 CO -0.23 0.15 0.77 -0.36 -0.69 0.00 0.00 174.62 174.26 1a4k s PHE 166 N 1.77 3.53 0.66 4.92 0.40 -0.13 -4.99 117.98 124.14 1a4k s PHE 166 Ca 0.07 0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 57.12 1a4k s PHE 166 Cb -0.16 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1a4k s PHE 166 CO 0.11 -0.20 1.01 -2.30 0.70 0.00 0.00 175.22 174.54 1a4k n PRO 167 N -1.86 0.77 -2.81 0.24 -0.02 -1.26 -4.53 135.00 125.54 1a4k n PRO 167 Ca 0.01 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1a4k n PRO 167 Cb 0.55 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1a4k n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a4k s ALA 168 N -1.61 3.33 -0.11 3.55 0.00 -1.26 -4.73 121.76 120.92 1a4k s ALA 168 Ca 0.76 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1a4k s ALA 168 Cb -0.38 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1a4k s ALA 168 CO 0.47 0.22 0.00 0.54 0.00 0.00 0.00 175.76 176.99 1a4k s VAL 169 N -1.29 4.30 -0.31 0.00 0.11 0.64 -4.88 120.40 118.97 1a4k s VAL 169 Ca 0.42 -0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 1a4k s VAL 169 Cb -0.23 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1a4k s VAL 169 CO 0.29 0.57 0.79 -0.22 -3.33 0.00 0.00 175.10 173.20 1a4k s LEU 170 N -0.50 4.09 0.87 2.54 2.96 -1.26 -0.86 118.68 126.52 1a4k s LEU 170 Ca 0.09 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.53 1a4k s LEU 170 Cb -0.12 -3.08 0.12 0.00 0.50 0.00 0.00 46.19 43.60 1a4k s LEU 170 CO 0.02 -0.63 1.16 -1.10 -1.32 0.00 0.00 176.35 174.49 1a4k s GLN 171 N 2.98 1.43 0.54 1.98 -0.21 0.10 -4.93 119.66 121.56 1a4k s GLN 171 Ca 0.33 0.19 0.30 0.00 0.02 0.00 0.00 55.36 56.20 1a4k s GLN 171 Cb -0.14 -1.88 1.54 0.00 1.00 0.00 0.00 33.01 33.53 1a4k s GLN 171 CO 0.13 -1.98 2.09 0.66 -2.12 0.00 0.00 175.29 174.07 1a4k h SER 172 N -1.34 0.00 0.66 5.90 4.64 -1.97 -0.91 113.55 120.53 1a4k h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1a4k h SER 172 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1a4k h SER 172 CO 0.63 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.14 1a4k n SER 173 N -3.49 0.05 0.00 4.97 3.41 -1.26 -4.83 113.62 112.47 1a4k n SER 173 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1a4k n SER 173 Cb 0.23 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1a4k n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4k n GLY 174 N 0.40 0.60 3.69 5.00 0.00 -0.35 -5.04 105.19 109.49 1a4k n GLY 174 Ca 0.04 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1a4k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4k s LEU 175 N 0.00 3.45 0.29 0.99 1.02 -1.25 -4.89 118.68 118.29 1a4k s LEU 175 Ca 0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 53.83 1a4k s LEU 175 Cb 0.00 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 1a4k s LEU 175 CO 0.00 0.12 0.55 -0.31 0.02 0.00 0.00 176.35 176.73 1a4k s TYR 176 N -1.57 3.48 -0.12 0.29 2.02 -0.36 0.03 117.35 121.12 1a4k s TYR 176 Ca 0.27 0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 57.53 1a4k s TYR 176 Cb -0.10 -2.09 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1a4k s TYR 176 CO 0.19 0.18 0.28 0.45 -1.57 0.00 0.00 175.55 175.08 1a4k s SER 177 N -3.17 -0.31 0.10 2.29 0.15 -0.04 -1.14 113.70 111.58 1a4k s SER 177 Ca 0.44 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.62 1a4k s SER 177 Cb -0.11 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1a4k s SER 177 CO 0.30 -0.15 0.15 -1.48 1.20 0.00 0.00 173.24 173.26 1a4k s LEU 178 N 0.90 1.58 0.09 3.45 0.05 -0.40 -0.26 118.68 124.09 1a4k s LEU 178 Ca -0.06 -0.83 0.05 0.00 0.05 0.00 0.00 54.13 53.34 1a4k s LEU 178 Cb -0.07 0.82 -0.03 0.00 -2.05 0.00 0.00 46.19 44.85 1a4k s LEU 178 CO -0.06 -0.74 -0.14 -0.94 -0.55 0.00 0.00 176.35 173.92 1a4k s SER 179 N -2.91 1.75 -0.10 1.48 1.04 -1.26 -1.00 113.70 112.69 1a4k s SER 179 Ca 0.10 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 1a4k s SER 179 Cb 0.05 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.16 1a4k s SER 179 CO -0.07 -0.11 0.02 -0.55 0.98 0.00 0.00 173.24 173.50 1a4k s SER 180 N -2.02 1.86 0.23 7.02 0.15 -0.71 -0.96 113.70 119.27 1a4k s SER 180 Ca 0.02 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 56.53 1a4k s SER 180 Cb -0.08 -0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1a4k s SER 180 CO 0.02 -0.23 -0.16 0.68 1.20 0.00 0.00 173.24 174.75 1a4k s VAL 181 N 1.98 2.75 -0.02 4.45 -7.23 0.21 -0.91 120.40 121.62 1a4k s VAL 181 Ca 0.04 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1a4k s VAL 181 Cb -0.13 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1a4k s VAL 181 CO -0.06 -0.24 0.02 -0.69 -0.31 0.00 0.00 175.10 173.82 1a4k s VAL 182 N -2.04 -0.02 -0.08 1.32 1.01 -0.65 0.24 120.40 120.18 1a4k s VAL 182 Ca 0.26 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 1a4k s VAL 182 Cb -0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1a4k s VAL 182 CO 0.14 0.10 0.50 0.28 0.00 0.00 0.00 175.10 176.11 1a4k s THR 183 N 1.05 5.12 0.05 3.92 -1.32 -1.24 -4.42 115.64 118.80 1a4k s THR 183 Ca -0.09 1.00 -0.05 0.00 -1.21 0.00 0.00 61.69 61.35 1a4k s THR 183 Cb -0.13 -3.83 -0.02 0.00 -1.51 0.00 0.00 72.50 67.01 1a4k s THR 183 CO -0.03 0.37 0.07 0.68 -2.21 0.00 0.00 174.62 173.51 1a4k s VAL 184 N 0.29 0.15 0.09 5.08 -7.23 -1.20 -4.68 120.40 112.91 1a4k s VAL 184 Ca 0.27 -1.27 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 1a4k s VAL 184 Cb -0.16 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.60 1a4k s VAL 184 CO 0.12 -0.70 1.79 -2.16 -0.31 0.00 0.00 175.10 173.84 1a4k s PRO 185 N -3.07 4.16 0.56 4.82 0.04 -1.26 0.17 135.00 140.41 1a4k s PRO 185 Ca -0.01 2.51 0.38 0.00 0.04 0.00 0.00 61.00 63.92 1a4k s PRO 185 Cb 0.02 -3.69 1.54 0.00 0.04 0.00 0.00 34.50 32.40 1a4k s PRO 185 CO -0.07 -0.83 1.74 0.77 0.04 0.00 0.00 177.00 178.65 1a4k h SER 186 N 8.85 0.00 0.00 6.66 0.02 0.21 -1.88 113.55 127.41 1a4k h SER 186 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1a4k h SER 186 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1a4k h SER 186 CO 0.94 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 175.43 1a4k n SER 187 N -4.03 0.00 0.00 3.07 7.64 -1.26 -2.29 113.62 116.75 1a4k n SER 187 Ca 0.27 0.88 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1a4k n SER 187 Cb 1.35 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1a4k n SER 187 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a4k n SER 188 N -1.81 0.00 -0.43 6.43 2.88 -0.71 -2.81 113.62 117.17 1a4k n SER 188 Ca 0.00 0.17 0.36 0.00 -1.33 0.00 0.00 58.87 58.06 1a4k n SER 188 Cb 0.00 -0.17 0.66 0.00 -0.75 0.00 0.00 64.21 63.95 1a4k n SER 188 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1a4k h LEU 189 N 0.00 0.22 0.00 2.46 3.38 -1.44 0.23 115.31 120.16 1a4k h LEU 189 Ca 0.00 0.09 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 1a4k h LEU 189 Cb 0.45 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1a4k h LEU 189 CO 0.00 -0.07 -2.14 0.61 0.09 0.00 0.00 178.44 176.93 1a4k n GLY 190 N -1.60 -0.32 0.30 0.83 0.00 -1.12 -4.56 105.19 98.72 1a4k n GLY 190 Ca 0.34 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.41 1a4k n GLY 190 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a4k h THR 191 N -0.61 0.47 -3.86 2.61 2.02 -1.69 -3.42 112.91 108.44 1a4k h THR 191 Ca -0.51 -0.04 -0.69 0.00 0.77 0.00 0.00 66.41 65.95 1a4k h THR 191 Cb 1.49 1.02 -0.21 0.00 -1.74 0.00 0.00 68.15 68.72 1a4k h THR 191 CO -0.27 0.01 -0.85 -1.58 0.37 0.00 0.00 175.52 173.20 1a4k s GLN 192 N -4.55 1.55 -0.02 6.66 2.00 0.78 -5.06 119.66 121.01 1a4k s GLN 192 Ca -0.05 -1.28 -0.01 0.00 -2.00 0.00 0.00 55.36 52.02 1a4k s GLN 192 Cb 0.15 -1.98 -0.04 0.00 0.80 0.00 0.00 33.01 31.94 1a4k s GLN 192 CO 0.54 0.46 0.06 -0.08 -0.50 0.00 0.00 175.29 175.77 1a4k s THR 193 N -1.08 4.64 -0.15 -0.34 -1.32 -1.26 -4.67 115.64 111.45 1a4k s THR 193 Ca 0.15 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1a4k s THR 193 Cb -0.10 -3.08 0.03 0.00 -1.51 0.00 0.00 72.50 67.84 1a4k s THR 193 CO 0.07 0.41 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.48 1a4k s TYR 194 N -1.12 1.94 -0.05 9.09 2.02 -1.26 -4.98 117.35 122.99 1a4k s TYR 194 Ca 0.20 -1.12 0.02 0.00 -0.37 0.00 0.00 57.07 55.81 1a4k s TYR 194 Cb -0.12 -1.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1a4k s TYR 194 CO 0.11 -0.63 -0.10 0.42 -1.57 0.00 0.00 175.55 173.78 1a4k s ILE 195 N 1.56 0.94 -0.24 2.71 1.01 -1.26 -1.73 121.20 124.18 1a4k s ILE 195 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 1a4k s ILE 195 Cb -0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1a4k s ILE 195 CO -0.09 0.30 0.10 0.00 0.00 0.00 0.00 174.94 175.25 1a4k s ASN 197 N 1.39 6.19 0.22 0.00 0.01 -0.65 -1.45 114.94 120.64 1a4k s ASN 197 Ca 0.06 -1.06 -0.05 0.00 -0.71 0.00 0.00 52.86 51.10 1a4k s ASN 197 Cb -0.15 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1a4k s ASN 197 CO 0.05 -0.76 0.47 -0.69 -1.51 0.00 0.00 177.10 174.66 1a4k s VAL 198 N 2.16 5.08 -0.19 1.60 1.01 0.81 -2.20 120.40 128.68 1a4k s VAL 198 Ca 0.10 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 1a4k s VAL 198 Cb -0.21 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.58 1a4k s VAL 198 CO 0.10 -0.14 0.41 0.21 0.00 0.00 0.00 175.10 175.67 1a4k s ASN 199 N -2.80 -0.22 -0.25 3.32 2.47 -0.31 -2.05 114.94 115.10 1a4k s ASN 199 Ca 0.43 0.95 -0.02 0.00 0.42 0.00 0.00 52.86 54.64 1a4k s ASN 199 Cb -0.11 1.26 0.02 0.00 -1.45 0.00 0.00 41.25 40.97 1a4k s ASN 199 CO 0.27 -0.23 -0.06 -2.28 -3.72 0.00 0.00 177.10 171.08 1a4k s HIS 200 N 2.52 3.05 0.04 0.43 5.65 0.81 -0.96 115.29 126.83 1a4k s HIS 200 Ca -0.02 -1.49 -0.15 0.00 0.25 0.00 0.00 55.06 53.65 1a4k s HIS 200 Cb -0.12 -2.07 -0.33 0.00 -1.18 0.00 0.00 32.58 28.89 1a4k s HIS 200 CO -0.12 -0.71 1.05 0.87 -0.65 0.00 0.00 174.74 175.17 1a4k h LYS 201 N 8.03 0.59 0.00 2.88 6.56 -1.80 0.15 116.57 132.97 1a4k h LYS 201 Ca -0.34 -0.90 0.00 0.00 -1.06 0.00 0.00 60.65 58.36 1a4k h LYS 201 Cb 1.11 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 33.09 1a4k h LYS 201 CO 0.58 1.42 0.20 -2.30 -2.06 0.00 0.00 179.45 177.30 1a4k n PRO 202 N -3.75 0.08 0.00 3.15 -0.02 -1.26 -1.40 135.00 131.79 1a4k n PRO 202 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1a4k n PRO 202 Cb 1.06 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1a4k n PRO 202 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1a4k n SER 203 N -1.90 0.25 -1.34 2.55 3.41 -1.24 -4.85 113.62 110.49 1a4k n SER 203 Ca -0.01 -0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 57.85 1a4k n SER 203 Cb 0.22 0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1a4k n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a4k n ASN 204 N -0.25 -4.11 -4.73 4.04 2.85 -0.49 -4.93 115.26 107.63 1a4k n ASN 204 Ca 0.00 0.06 -0.40 0.00 -0.11 0.00 0.00 54.58 54.12 1a4k n ASN 204 Cb 0.06 -3.18 -0.04 0.00 1.24 0.00 0.00 39.78 37.86 1a4k n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1a4k s THR 205 N -2.60 4.85 -0.43 -0.44 2.01 0.40 -4.94 115.64 114.49 1a4k s THR 205 Ca 0.00 1.73 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1a4k s THR 205 Cb 0.00 -4.17 0.20 0.00 0.01 0.00 0.00 72.50 68.55 1a4k s THR 205 CO 0.00 0.27 0.50 1.17 -0.69 0.00 0.00 174.62 175.87 1a4k n LYS 206 N 3.40 0.45 -3.88 4.92 0.00 -1.26 -0.14 118.16 121.66 1a4k n LYS 206 Ca 0.01 -2.89 -0.23 0.00 0.00 0.00 0.00 58.31 55.19 1a4k n LYS 206 Cb 0.51 -1.48 -0.02 0.00 0.00 0.00 0.00 35.03 34.04 1a4k n LYS 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1a4k s VAL 207 N -0.16 5.26 -0.03 3.15 0.11 -0.87 -4.95 120.40 122.91 1a4k s VAL 207 Ca 0.33 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1a4k s VAL 207 Cb 0.09 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1a4k s VAL 207 CO -0.16 -0.27 -0.10 -1.81 -3.33 0.00 0.00 175.10 169.44 1a4k s ASP 208 N -3.70 1.31 -0.02 3.54 1.11 -1.26 -0.13 116.67 117.51 1a4k s ASP 208 Ca 0.35 -0.20 0.04 0.00 0.18 0.00 0.00 52.55 52.92 1a4k s ASP 208 Cb -0.10 -0.38 -0.01 0.00 1.07 0.00 0.00 42.92 43.50 1a4k s ASP 208 CO 0.30 0.06 -0.15 -0.75 1.18 0.00 0.00 175.17 175.81 1a4k s LYS 209 N 0.25 1.36 -0.07 8.23 2.36 -0.53 -4.94 119.74 126.40 1a4k s LYS 209 Ca -0.04 -0.52 -0.18 0.00 -2.55 0.00 0.00 55.97 52.67 1a4k s LYS 209 Cb -0.10 -1.26 -0.05 0.00 -1.05 0.00 0.00 37.83 35.38 1a4k s LYS 209 CO 0.01 0.27 0.50 0.21 1.55 0.00 0.00 175.35 177.88 1a4k s LYS 210 N -0.14 4.26 -0.31 4.03 2.20 -1.26 -1.03 119.74 127.49 1a4k s LYS 210 Ca 0.01 0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1a4k s LYS 210 Cb -0.08 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.93 1a4k s LYS 210 CO 0.00 0.31 0.02 0.08 -0.36 0.00 0.00 175.35 175.40 1a4k s VAL 211 N 0.10 2.90 0.12 4.02 1.01 -0.71 -4.84 120.40 123.00 1a4k s VAL 211 Ca 0.27 -1.57 0.11 0.00 0.00 0.00 0.00 61.98 60.79 1a4k s VAL 211 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1a4k s VAL 211 CO 0.13 -0.21 -0.27 -1.61 0.00 0.00 0.00 175.10 173.14 1a4k s GLU 212 N 1.20 1.43 0.00 2.72 0.41 -1.26 -4.59 118.70 118.61 1a4k s GLU 212 Ca -0.03 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 1a4k s GLU 212 Cb -0.20 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1a4k s GLU 212 CO -0.02 0.45 0.03 -2.30 -0.49 0.00 0.00 175.26 172.93