#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhh n LEU 4 N 0.00 0.86 -3.42 2.61 4.77 -1.26 -4.19 117.00 116.37 1rhh n LEU 4 Ca 0.00 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 1rhh n LEU 4 Cb 0.00 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 1rhh n LEU 4 CO 0.00 0.22 -0.26 -0.22 -1.33 0.00 0.00 177.39 175.80 1rhh s LEU 5 N -0.04 0.56 -0.08 2.23 2.96 -1.25 -0.84 118.68 122.21 1rhh s LEU 5 Ca 0.00 -1.94 -0.18 0.00 -0.22 0.00 0.00 54.13 51.79 1rhh s LEU 5 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.62 1rhh s LEU 5 CO 0.00 -0.29 0.50 -0.70 -1.32 0.00 0.00 176.35 174.53 1rhh s GLU 6 N 1.23 4.28 0.31 1.98 2.12 -0.43 -4.32 118.70 123.87 1rhh s GLU 6 Ca 0.17 0.51 0.09 0.00 0.36 0.00 0.00 54.97 56.10 1rhh s GLU 6 Cb -0.20 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 1rhh s GLU 6 CO -0.01 0.27 0.04 -0.65 -0.54 0.00 0.00 175.26 174.38 1rhh s GLN 7 N 0.22 2.27 0.84 4.30 -0.21 -1.26 -0.27 119.66 125.55 1rhh s GLN 7 Ca 0.27 -1.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.00 1rhh s GLN 7 Cb -0.16 -2.11 0.10 0.00 1.00 0.00 0.00 33.01 31.84 1rhh s GLN 7 CO 0.12 0.23 1.09 -1.54 -2.12 0.00 0.00 175.29 173.08 1rhh s SER 8 N -3.74 3.94 0.58 5.90 1.04 -1.13 -4.99 113.70 115.30 1rhh s SER 8 Ca 0.34 1.64 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 1rhh s SER 8 Cb -0.04 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 1rhh s SER 8 CO 0.21 -2.36 1.02 -0.83 0.98 0.00 0.00 173.24 172.26 1rhh s GLY 9 N -3.41 1.95 0.65 7.32 0.00 -1.26 -4.65 107.32 107.91 1rhh s GLY 9 Ca 0.62 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 45.34 1rhh s GLY 9 CO 0.56 0.46 1.16 0.00 0.00 0.00 0.00 173.10 175.29 1rhh n ALA 10 N -2.14 0.70 -3.47 3.20 0.00 -1.26 -4.84 120.51 112.70 1rhh n ALA 10 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1rhh n ALA 10 Cb 0.54 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1rhh n ALA 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1rhh s GLU 11 N -3.23 1.14 -0.04 0.00 -1.05 -0.90 -2.99 118.70 111.63 1rhh s GLU 11 Ca 0.80 -0.20 -0.11 0.00 -0.15 0.00 0.00 54.97 55.31 1rhh s GLU 11 Cb -0.38 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.79 1rhh s GLU 11 CO 0.43 -0.45 0.29 0.54 0.95 0.00 0.00 175.26 177.02 1rhh s VAL 12 N -2.79 5.25 -0.01 1.83 0.11 -1.26 -1.60 120.40 121.92 1rhh s VAL 12 Ca -0.02 0.50 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1rhh s VAL 12 Cb -0.01 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1rhh s VAL 12 CO -0.05 0.55 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.62 1rhh s LYS 13 N -1.19 0.96 0.49 1.54 -0.14 0.14 -4.93 119.74 116.61 1rhh s LYS 13 Ca 0.21 -0.39 -0.20 0.00 -1.36 0.00 0.00 55.97 54.23 1rhh s LYS 13 Cb -0.14 -0.91 -0.08 0.00 -1.68 0.00 0.00 37.83 35.01 1rhh s LYS 13 CO 0.10 0.21 1.05 0.15 -0.76 0.00 0.00 175.35 176.11 1rhh s LYS 14 N -0.15 3.75 0.26 1.68 1.02 -1.24 -0.64 119.74 124.41 1rhh s LYS 14 Ca 0.02 1.41 -0.31 0.00 0.02 0.00 0.00 55.97 57.12 1rhh s LYS 14 Cb -0.06 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 35.03 1rhh s LYS 14 CO -0.00 -0.48 1.54 -2.30 -0.92 0.00 0.00 175.35 173.18 1rhh n PRO 15 N -0.97 2.43 0.00 -1.68 -0.02 -1.26 -1.70 135.00 131.80 1rhh n PRO 15 Ca 0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1rhh n PRO 15 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1rhh n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rhh n GLY 16 N 2.36 2.30 3.57 -1.23 0.00 0.17 -4.92 105.19 107.44 1rhh n GLY 16 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1rhh n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rhh n SER 17 N 0.00 0.38 -4.36 1.61 3.41 -0.69 -4.04 113.62 109.93 1rhh n SER 17 Ca 0.00 -1.60 -0.26 0.00 -0.26 0.00 0.00 58.87 56.75 1rhh n SER 17 Cb 0.00 -0.85 -0.12 0.00 -0.26 0.00 0.00 64.21 62.97 1rhh n SER 17 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rhh s SER 18 N -5.31 3.04 0.05 4.04 0.01 -1.26 -1.55 113.70 112.71 1rhh s SER 18 Ca 0.68 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 57.22 1rhh s SER 18 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 1rhh s SER 18 CO 0.47 0.11 -0.14 0.54 0.41 0.00 0.00 173.24 174.63 1rhh s VAL 19 N -1.31 1.08 -0.16 3.43 0.11 -0.41 -4.98 120.40 118.16 1rhh s VAL 19 Ca 0.13 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1rhh s VAL 19 Cb -0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1rhh s VAL 19 CO 0.06 -0.07 -0.16 -1.58 -3.33 0.00 0.00 175.10 170.02 1rhh s GLN 20 N -1.31 2.55 -0.20 1.54 0.74 -1.26 -1.06 119.66 120.67 1rhh s GLN 20 Ca 0.00 -0.67 -0.07 0.00 0.05 0.00 0.00 55.36 54.68 1rhh s GLN 20 Cb -0.08 -2.29 -0.03 0.00 1.10 0.00 0.00 33.01 31.70 1rhh s GLN 20 CO 0.01 -0.23 0.04 0.08 -0.55 0.00 0.00 175.29 174.65 1rhh s VAL 21 N 1.41 4.47 0.16 1.34 1.01 -0.20 -4.95 120.40 123.64 1rhh s VAL 21 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1rhh s VAL 21 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1rhh s VAL 21 CO -0.11 0.43 0.15 -0.94 0.00 0.00 0.00 175.10 174.63 1rhh s SER 22 N 0.73 5.61 -0.10 3.32 1.04 -1.26 -1.67 113.70 121.36 1rhh s SER 22 Ca 0.02 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 1rhh s SER 22 Cb -0.14 -1.49 0.05 0.00 0.10 0.00 0.00 66.02 64.54 1rhh s SER 22 CO 0.02 0.06 0.09 0.00 0.98 0.00 0.00 173.24 174.40 1rhh s LYS 24 N 2.18 3.62 -0.37 0.00 2.20 0.62 0.15 119.74 128.15 1rhh s LYS 24 Ca 0.04 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 1rhh s LYS 24 Cb -0.14 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1rhh s LYS 24 CO -0.06 0.06 0.98 0.00 -0.36 0.00 0.00 175.35 175.97 1rhh s ALA 25 N 0.85 3.40 -2.00 3.13 0.00 -0.51 -1.31 121.76 125.32 1rhh s ALA 25 Ca 0.00 -0.37 0.16 0.00 0.00 0.00 0.00 51.96 51.75 1rhh s ALA 25 Cb -0.14 -3.60 0.94 0.00 0.00 0.00 0.00 23.12 20.31 1rhh s ALA 25 CO 0.02 -1.65 1.36 0.45 0.00 0.00 0.00 175.76 175.94 1rhh n SER 26 N 6.91 0.00 -0.27 0.00 2.88 -0.02 -2.73 113.62 120.38 1rhh n SER 26 Ca 0.09 -0.64 0.15 0.00 -1.33 0.00 0.00 58.87 57.13 1rhh n SER 26 Cb 0.48 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.59 1rhh n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rhh n GLY 27 N 0.12 -0.48 2.19 0.46 0.00 -1.26 -4.90 105.19 101.32 1rhh n GLY 27 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1rhh n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhh n GLY 28 N 1.15 0.66 3.53 -0.02 0.00 -1.11 -4.99 105.19 104.41 1rhh n GLY 28 Ca 0.19 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1rhh n GLY 28 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rhh s THR 29 N -2.05 0.00 -0.14 2.61 -1.32 -1.26 -4.89 115.64 108.59 1rhh s THR 29 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 1rhh s THR 29 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1rhh s THR 29 CO 0.00 0.00 1.02 -0.26 -2.21 0.00 0.00 174.62 173.17 1rhh h PHE 30 N 2.63 0.00 0.00 9.09 0.04 -1.93 -3.47 116.94 123.31 1rhh h PHE 30 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1rhh h PHE 30 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1rhh h PHE 30 CO 0.32 0.51 0.00 0.45 -0.60 0.00 0.00 178.31 178.99 1rhh n SER 31 N -2.97 0.00 -1.31 2.17 2.88 -1.26 -1.59 113.62 111.54 1rhh n SER 31 Ca -0.05 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.55 1rhh n SER 31 Cb 0.79 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.55 1rhh n SER 31 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1rhh n MET 32 N 14.00 3.55 -2.56 -1.46 2.81 -1.26 -4.44 117.12 127.77 1rhh n MET 32 Ca 0.00 -2.99 -0.33 0.00 -1.81 0.00 0.00 57.70 52.57 1rhh n MET 32 Cb 0.00 -2.01 -0.04 0.00 -0.71 0.00 0.00 33.22 30.46 1rhh n MET 32 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1rhh s TYR 33 N -2.85 3.15 0.03 2.03 2.02 -0.62 -4.45 117.35 116.66 1rhh s TYR 33 Ca 0.47 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.75 1rhh s TYR 33 Cb 0.38 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1rhh s TYR 33 CO 0.11 -0.57 0.08 0.20 -1.57 0.00 0.00 175.55 173.80 1rhh s GLY 34 N -2.27 2.01 -0.16 0.71 0.00 0.31 -4.19 107.32 103.73 1rhh s GLY 34 Ca 0.64 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1rhh s GLY 34 CO 0.21 -0.86 -0.20 -1.36 0.00 0.00 0.00 173.10 170.90 1rhh s PHE 35 N -1.27 2.64 0.29 1.90 0.40 0.16 -0.62 117.98 121.48 1rhh s PHE 35 Ca 0.25 -1.48 0.10 0.00 -0.60 0.00 0.00 56.93 55.21 1rhh s PHE 35 Cb -0.12 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 1rhh s PHE 35 CO 0.17 -0.72 -0.06 -0.80 0.70 0.00 0.00 175.22 174.50 1rhh s ASN 35 N 1.16 4.14 -0.13 1.36 0.01 0.64 -0.87 114.94 121.25 1rhh s ASN 35 Ca 0.01 -0.86 0.02 0.00 -0.71 0.00 0.00 52.86 51.33 1rhh s ASN 35 Cb -0.14 -0.59 0.01 0.00 0.41 0.00 0.00 41.25 40.94 1rhh s ASN 35 CO -0.09 -0.04 -0.20 0.26 -1.51 0.00 0.00 177.10 175.52 1rhh s TRP 36 N -2.43 2.47 -0.09 2.20 0.51 -0.18 -0.03 118.94 121.39 1rhh s TRP 36 Ca 0.32 -1.23 0.02 0.00 -2.12 0.00 0.00 56.10 53.09 1rhh s TRP 36 Cb -0.04 -1.70 0.01 0.00 -0.81 0.00 0.00 33.47 30.92 1rhh s TRP 36 CO 0.18 -0.58 -0.15 0.08 -0.51 0.00 0.00 176.95 175.97 1rhh s VAL 37 N 0.88 1.38 0.28 4.03 1.01 -0.44 -0.67 120.40 126.88 1rhh s VAL 37 Ca -0.07 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1rhh s VAL 37 Cb -0.15 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1rhh s VAL 37 CO -0.02 0.41 0.09 0.00 0.00 0.00 0.00 175.10 175.58 1rhh s ARG 38 N 0.75 2.47 -0.18 2.72 1.70 -0.15 -0.24 118.95 126.02 1rhh s ARG 38 Ca -0.12 -1.36 -0.05 0.00 -0.47 0.00 0.00 55.73 53.73 1rhh s ARG 38 Cb -0.16 -2.27 0.09 0.00 -0.57 0.00 0.00 34.95 32.04 1rhh s ARG 38 CO 0.03 0.30 0.30 -1.14 -1.08 0.00 0.00 175.30 173.71 1rhh s GLN 39 N -3.76 0.22 0.23 3.89 0.74 -0.19 -1.19 119.66 119.60 1rhh s GLN 39 Ca 0.34 0.64 -0.30 0.00 0.05 0.00 0.00 55.36 56.09 1rhh s GLN 39 Cb -0.06 -0.31 -0.09 0.00 1.10 0.00 0.00 33.01 33.66 1rhh s GLN 39 CO 0.22 -0.42 1.25 0.00 -0.55 0.00 0.00 175.29 175.78 1rhh s ALA 40 N 2.45 3.48 -0.06 1.58 0.00 -1.26 -0.78 121.76 127.18 1rhh s ALA 40 Ca 0.04 1.06 -0.38 0.00 0.00 0.00 0.00 51.96 52.69 1rhh s ALA 40 Cb -0.13 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 1rhh s ALA 40 CO -0.11 -0.46 1.57 -2.30 0.00 0.00 0.00 175.76 174.46 1rhh n PRO 41 N 2.07 1.34 -0.46 0.00 -0.02 -1.26 -0.39 135.00 136.27 1rhh n PRO 41 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1rhh n PRO 41 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1rhh n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rhh n GLY 42 N 3.42 0.86 0.00 -1.23 0.00 -1.26 -5.03 105.19 101.95 1rhh n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1rhh n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rhh n HIS 43 N -2.00 0.00 -1.53 1.61 8.25 0.48 -5.17 115.22 116.86 1rhh n HIS 43 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1rhh n HIS 43 Cb 0.00 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.17 1rhh n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rhh n GLY 44 N 3.51 -0.80 3.86 -1.41 0.00 -1.26 -4.67 105.19 104.42 1rhh n GLY 44 Ca 0.00 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1rhh n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rhh s LEU 45 N 0.00 4.23 -0.09 0.99 1.43 -1.26 -3.98 118.68 120.00 1rhh s LEU 45 Ca 0.23 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1rhh s LEU 45 Cb -0.01 -2.46 0.05 0.00 0.03 0.00 0.00 46.19 43.80 1rhh s LEU 45 CO 0.16 0.28 0.20 -1.83 0.23 0.00 0.00 176.35 175.39 1rhh s GLU 46 N -1.79 0.14 0.20 1.70 -1.05 -0.34 -4.97 118.70 112.59 1rhh s GLU 46 Ca 0.25 0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 55.27 1rhh s GLU 46 Cb -0.12 -0.15 -0.08 0.00 -0.44 0.00 0.00 34.13 33.33 1rhh s GLU 46 CO 0.16 -0.20 1.19 -0.46 0.95 0.00 0.00 175.26 176.90 1rhh s TRP 47 N 1.50 3.43 -0.16 4.83 -0.00 -1.26 -0.98 118.94 126.31 1rhh s TRP 47 Ca -0.06 1.46 0.01 0.00 -0.00 0.00 0.00 56.10 57.51 1rhh s TRP 47 Cb -0.11 -3.42 -0.10 0.00 -0.00 0.00 0.00 33.47 29.83 1rhh s TRP 47 CO -0.07 -1.14 -0.14 -1.33 -0.00 0.00 0.00 176.95 174.26 1rhh n MET 48 N 2.25 0.40 -3.88 5.86 2.81 0.16 -4.68 117.12 120.04 1rhh n MET 48 Ca 0.03 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1rhh n MET 48 Cb 0.45 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1rhh n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rhh n GLY 49 N 2.71 -2.00 3.95 3.03 0.00 -1.22 -1.08 105.19 110.58 1rhh n GLY 49 Ca -0.29 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 1rhh n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rhh s GLY 50 N 0.00 0.00 -0.11 -0.02 0.00 -0.44 -1.01 107.32 105.74 1rhh s GLY 50 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1rhh s GLY 50 CO 0.00 4.32 0.30 -1.50 0.00 0.00 0.00 173.10 176.22 1rhh s ILE 51 N -2.05 -0.00 -0.49 0.90 2.07 -0.05 -2.31 121.20 119.26 1rhh s ILE 51 Ca 0.26 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1rhh s ILE 51 Cb -0.02 -0.42 0.13 0.00 0.13 0.00 0.00 42.46 42.28 1rhh s ILE 51 CO 0.02 0.00 0.32 -0.63 -1.91 0.00 0.00 174.94 172.75 1rhh s ILE 52 N 0.21 3.80 0.20 2.00 1.01 0.67 -0.66 121.20 128.42 1rhh s ILE 52 Ca -0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 60.65 58.34 1rhh s ILE 52 Cb -0.02 -3.53 0.17 0.00 0.01 0.00 0.00 42.46 39.09 1rhh s ILE 52 CO -0.00 -0.77 1.61 -0.65 0.00 0.00 0.00 174.94 175.13 1rhh h PRO 52 N 8.01 -0.08 -0.77 2.79 0.11 -1.84 0.56 132.00 140.77 1rhh h PRO 52 Ca -0.13 0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.16 1rhh h PRO 52 Cb 1.04 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1rhh h PRO 52 CO 0.76 -0.06 0.52 0.97 -0.21 0.00 0.00 178.00 179.99 1rhh h ILE 53 N -0.09 0.72 -0.01 4.15 2.10 -1.85 -1.32 117.51 121.22 1rhh h ILE 53 Ca 0.26 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.10 1rhh h ILE 53 Cb 0.49 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1rhh h ILE 53 CO -0.63 0.05 -0.67 0.49 -1.08 0.00 0.00 178.15 176.32 1rhh n PHE 54 N -4.44 0.00 -1.99 2.19 3.72 -0.84 -4.97 117.46 111.12 1rhh n PHE 54 Ca 0.15 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.39 1rhh n PHE 54 Cb 0.64 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 1rhh n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rhh n GLY 55 N 1.36 0.44 3.76 1.37 0.00 0.13 -4.98 105.19 107.27 1rhh n GLY 55 Ca 0.05 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1rhh n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rhh s THR 56 N -2.73 5.40 -0.03 2.61 2.01 -1.10 -4.95 115.64 116.85 1rhh s THR 56 Ca 0.00 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1rhh s THR 56 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1rhh s THR 56 CO 0.00 0.46 0.12 -0.55 -0.69 0.00 0.00 174.62 173.97 1rhh s SER 57 N 0.11 -0.05 0.33 3.53 0.15 -1.26 -0.24 113.70 116.26 1rhh s SER 57 Ca 0.11 0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 1rhh s SER 57 Cb -0.12 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1rhh s SER 57 CO 0.01 -0.18 0.75 0.54 1.20 0.00 0.00 173.24 175.55 1rhh s ASN 58 N -0.58 -0.12 0.23 5.45 4.22 -0.98 -5.02 114.94 118.15 1rhh s ASN 58 Ca -0.07 -0.88 -0.08 0.00 -2.14 0.00 0.00 52.86 49.69 1rhh s ASN 58 Cb -0.04 0.78 0.03 0.00 1.28 0.00 0.00 41.25 43.31 1rhh s ASN 58 CO 0.01 -1.51 0.45 0.00 -2.04 0.00 0.00 177.10 174.01 1rhh n TYR 59 N -0.49 -1.73 -3.04 1.54 0.18 -1.26 -1.33 117.16 111.02 1rhh n TYR 59 Ca -0.06 -1.14 -0.39 0.00 1.88 0.00 0.00 57.90 58.18 1rhh n TYR 59 Cb 0.60 0.53 -0.05 0.00 -0.38 0.00 0.00 39.34 40.03 1rhh n TYR 59 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1rhh s ALA 60 N -1.72 3.42 0.56 -3.48 0.00 -0.24 -4.93 121.76 115.36 1rhh s ALA 60 Ca 0.10 0.23 0.28 0.00 0.00 0.00 0.00 51.96 52.58 1rhh s ALA 60 Cb -0.03 -2.92 1.47 0.00 0.00 0.00 0.00 23.12 21.64 1rhh s ALA 60 CO 0.08 0.14 1.94 1.96 0.00 0.00 0.00 175.76 179.88 1rhh h GLN 61 N 5.37 0.00 -0.66 0.00 1.08 -1.97 0.30 115.11 119.24 1rhh h GLN 61 Ca -0.45 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 56.93 1rhh h GLN 61 Cb 1.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 1rhh h GLN 61 CO 0.69 0.00 0.47 -0.22 -0.95 0.00 0.00 178.83 178.82 1rhh h LYS 62 N 0.00 0.05 -0.45 1.46 3.64 -1.96 -1.25 116.57 118.06 1rhh h LYS 62 Ca 0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1rhh h LYS 62 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1rhh h LYS 62 CO -0.00 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.40 1rhh n PHE 63 N -4.36 0.94 -1.68 1.91 3.72 0.09 -5.01 117.46 113.07 1rhh n PHE 63 Ca 0.13 -0.62 -0.45 0.00 -0.05 0.00 0.00 57.45 56.46 1rhh n PHE 63 Cb 0.70 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 1rhh n PHE 63 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1rhh n ARG 64 N 0.55 2.18 -0.53 -1.08 0.63 -0.48 -1.02 116.66 116.92 1rhh n ARG 64 Ca 0.19 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 1rhh n ARG 64 Cb 0.70 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1rhh n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rhh n GLY 65 N 2.62 1.75 0.00 5.14 0.00 -1.26 -4.82 105.19 108.62 1rhh n GLY 65 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1rhh n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rhh n ARG 66 N -2.00 3.72 -4.59 1.61 1.74 -0.19 -4.94 116.66 112.01 1rhh n ARG 66 Ca 0.00 -0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 1rhh n ARG 66 Cb 0.00 -0.81 -0.14 0.00 -1.02 0.00 0.00 32.46 30.49 1rhh n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rhh s VAL 67 N -1.65 1.90 -0.01 1.55 -7.23 -1.15 -0.80 120.40 113.01 1rhh s VAL 67 Ca 0.00 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1rhh s VAL 67 Cb 0.02 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1rhh s VAL 67 CO 0.13 0.17 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.18 1rhh s THR 68 N -0.92 0.22 -0.09 5.32 2.01 -0.79 -4.98 115.64 116.41 1rhh s THR 68 Ca 0.09 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1rhh s THR 68 Cb -0.10 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.20 1rhh s THR 68 CO 0.03 0.09 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.48 1rhh s PHE 69 N 0.20 2.23 0.15 4.92 0.08 -1.26 -1.12 117.98 123.17 1rhh s PHE 69 Ca -0.02 -0.90 -0.02 0.00 0.12 0.00 0.00 56.93 56.12 1rhh s PHE 69 Cb -0.04 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1rhh s PHE 69 CO -0.00 -0.38 0.09 0.95 -0.10 0.00 0.00 175.22 175.78 1rhh s THR 70 N 0.44 0.08 -0.15 0.64 -4.23 -0.74 -5.00 115.64 106.68 1rhh s THR 70 Ca -0.18 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 1rhh s THR 70 Cb -0.17 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.61 1rhh s THR 70 CO 0.07 -0.37 0.37 0.00 -0.54 0.00 0.00 174.62 174.15 1rhh s ALA 71 N -4.06 -0.92 -0.29 3.99 0.00 -1.26 -0.23 121.76 118.99 1rhh s ALA 71 Ca 0.26 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.39 1rhh s ALA 71 Cb 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1rhh s ALA 71 CO 0.03 -0.21 0.02 0.34 0.00 0.00 0.00 175.76 175.95 1rhh s ASP 72 N 0.75 4.87 0.24 0.00 2.15 0.19 -4.98 116.67 119.88 1rhh s ASP 72 Ca -0.05 -0.96 -0.07 0.00 0.43 0.00 0.00 52.55 51.91 1rhh s ASP 72 Cb -0.06 -1.78 0.22 0.00 -0.30 0.00 0.00 42.92 41.01 1rhh s ASP 72 CO -0.05 -0.21 1.87 -0.61 -0.17 0.00 0.00 175.17 176.00 1rhh h GLN 73 N 8.11 1.27 -0.72 4.34 4.15 -1.96 0.43 115.11 130.74 1rhh h GLN 73 Ca -0.28 -0.13 0.14 0.00 0.77 0.00 0.00 58.65 59.15 1rhh h GLN 73 Cb 1.10 -0.26 -0.10 0.00 0.21 0.00 0.00 27.48 28.43 1rhh h GLN 73 CO 0.58 0.91 0.23 0.00 -1.93 0.00 0.00 178.83 178.62 1rhh h ALA 74 N 1.29 0.96 -0.18 3.38 0.00 -1.96 -2.26 119.26 120.49 1rhh h ALA 74 Ca 0.33 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1rhh h ALA 74 Cb -0.02 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rhh h ALA 74 CO -0.06 -0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.18 1rhh n THR 75 N -5.07 0.27 -3.96 0.00 -2.24 -1.09 -4.97 114.28 97.23 1rhh n THR 75 Ca 0.13 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 1rhh n THR 75 Cb 0.41 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1rhh n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1rhh n SER 76 N 1.12 -4.49 -4.19 3.42 7.64 0.10 -4.80 113.62 112.42 1rhh n SER 76 Ca 0.13 -0.81 -0.29 0.00 1.01 0.00 0.00 58.87 58.91 1rhh n SER 76 Cb 0.50 -3.60 -0.16 0.00 -1.01 0.00 0.00 64.21 59.93 1rhh n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rhh s THR 77 N -3.27 1.74 0.04 0.44 2.01 -0.97 -1.43 115.64 114.20 1rhh s THR 77 Ca 0.68 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1rhh s THR 77 Cb -0.35 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1rhh s THR 77 CO 0.83 0.49 -0.01 0.00 -0.69 0.00 0.00 174.62 175.25 1rhh s ALA 78 N 0.00 3.25 0.08 7.40 0.00 0.12 -0.64 121.76 131.98 1rhh s ALA 78 Ca -0.05 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1rhh s ALA 78 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1rhh s ALA 78 CO 0.03 0.67 -0.13 0.71 0.00 0.00 0.00 175.76 177.05 1rhh s TYR 79 N -1.18 1.13 -0.06 0.00 1.51 0.68 -0.43 117.35 119.00 1rhh s TYR 79 Ca 0.22 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1rhh s TYR 79 Cb -0.12 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1rhh s TYR 79 CO 0.13 0.04 -0.09 1.41 -1.11 0.00 0.00 175.55 175.94 1rhh s MET 80 N -1.98 1.30 -0.14 -0.62 1.75 -0.67 -1.80 119.30 117.14 1rhh s MET 80 Ca -0.01 -0.27 -0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1rhh s MET 80 Cb -0.08 -1.16 -0.02 0.00 2.84 0.00 0.00 34.83 36.41 1rhh s MET 80 CO 0.02 -0.04 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.25 1rhh s GLU 81 N 0.83 3.47 -0.15 4.11 2.12 -0.27 -1.04 118.70 127.77 1rhh s GLU 81 Ca -0.12 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.59 1rhh s GLU 81 Cb -0.15 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.52 1rhh s GLU 81 CO 0.02 0.20 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.56 1rhh s LEU 82 N 0.40 2.17 0.45 2.70 2.96 -0.22 -1.89 118.68 125.25 1rhh s LEU 82 Ca -0.08 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1rhh s LEU 82 Cb -0.15 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1rhh s LEU 82 CO 0.04 0.06 0.40 0.42 -1.32 0.00 0.00 176.35 175.95 1rhh s THR 82 N 0.93 2.45 -1.32 3.68 -4.23 0.02 -1.28 115.64 115.89 1rhh s THR 82 Ca -0.04 -1.36 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1rhh s THR 82 Cb -0.15 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1rhh s THR 82 CO -0.04 0.00 0.56 0.59 -0.54 0.00 0.00 174.62 175.18 1rhh n ASN 82 N -1.61 -1.64 -4.77 3.99 3.02 -1.07 -4.88 115.26 108.29 1rhh n ASN 82 Ca 0.03 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 1rhh n ASN 82 Cb 0.62 -3.31 0.01 0.00 -0.61 0.00 0.00 39.78 36.50 1rhh n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rhh s LEU 82 N -6.80 4.17 0.25 3.41 1.43 -0.60 -4.62 118.68 115.91 1rhh s LEU 82 Ca 0.11 2.87 0.03 0.00 -1.03 0.00 0.00 54.13 56.11 1rhh s LEU 82 Cb -0.04 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1rhh s LEU 82 CO 0.87 -1.06 0.03 -0.13 0.23 0.00 0.00 176.35 176.29 1rhh s ARG 83 N -2.35 1.38 0.45 1.70 1.81 -1.26 0.41 118.95 121.08 1rhh s ARG 83 Ca 0.59 -1.72 0.20 0.00 -1.72 0.00 0.00 55.73 53.08 1rhh s ARG 83 Cb -0.43 -0.52 1.16 0.00 -0.45 0.00 0.00 34.95 34.71 1rhh s ARG 83 CO 0.55 -0.16 1.88 0.66 -0.68 0.00 0.00 175.30 177.55 1rhh h SER 84 N 2.42 0.32 0.00 0.23 4.64 -1.97 -0.31 113.55 118.88 1rhh h SER 84 Ca -0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1rhh h SER 84 Cb 1.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1rhh h SER 84 CO 0.64 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1rhh n ASP 85 N -4.46 0.00 -0.82 4.97 5.75 -1.26 -2.03 116.55 118.70 1rhh n ASP 85 Ca 0.18 -1.50 0.12 0.00 -0.01 0.00 0.00 54.79 53.59 1rhh n ASP 85 Cb 0.70 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 41.05 1rhh n ASP 85 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1rhh n ASP 86 N -0.69 2.54 -4.66 -1.12 8.00 -0.13 -4.88 116.55 115.61 1rhh n ASP 86 Ca 0.08 -1.84 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 1rhh n ASP 86 Cb 0.04 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1rhh n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rhh s THR 87 N -1.92 3.48 -0.06 -3.53 2.01 -0.86 -4.84 115.64 109.92 1rhh s THR 87 Ca 0.33 0.62 -0.32 0.00 0.31 0.00 0.00 61.69 62.63 1rhh s THR 87 Cb 0.20 -3.40 0.12 0.00 0.01 0.00 0.00 72.50 69.44 1rhh s THR 87 CO 0.31 -0.05 1.24 0.00 -0.69 0.00 0.00 174.62 175.43 1rhh s ALA 88 N 3.93 -2.15 -0.24 7.40 0.00 -0.71 -4.51 121.76 125.49 1rhh s ALA 88 Ca 0.75 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 1rhh s ALA 88 Cb -0.35 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1rhh s ALA 88 CO 0.31 -0.90 0.66 0.08 0.00 0.00 0.00 175.76 175.91 1rhh s VAL 89 N -2.48 4.97 -0.35 0.00 1.01 0.04 -1.20 120.40 122.39 1rhh s VAL 89 Ca 0.12 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 1rhh s VAL 89 Cb 0.03 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1rhh s VAL 89 CO -0.04 0.03 0.33 -0.31 0.00 0.00 0.00 175.10 175.11 1rhh s TYR 90 N 2.44 3.21 -0.12 5.22 1.51 0.10 -1.02 117.35 128.70 1rhh s TYR 90 Ca 0.28 -0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1rhh s TYR 90 Cb -0.16 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1rhh s TYR 90 CO 0.09 -0.43 0.17 0.71 -1.11 0.00 0.00 175.55 174.98 1rhh s TYR 91 N 1.92 3.59 -0.12 2.71 2.02 0.67 -0.81 117.35 127.32 1rhh s TYR 91 Ca 0.10 0.56 -0.18 0.00 -0.37 0.00 0.00 57.07 57.18 1rhh s TYR 91 Cb -0.17 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1rhh s TYR 91 CO 0.11 0.67 0.45 0.00 -1.57 0.00 0.00 175.55 175.21 1rhh s ALA 93 N 0.61 1.08 0.03 0.00 0.00 0.95 -0.51 121.76 123.91 1rhh s ALA 93 Ca 0.25 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 1rhh s ALA 93 Cb -0.15 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1rhh s ALA 93 CO 0.09 -0.24 0.55 0.50 0.00 0.00 0.00 175.76 176.66 1rhh s ARG 94 N 1.40 4.21 0.14 0.00 3.52 0.51 -0.26 118.95 128.47 1rhh s ARG 94 Ca -0.02 0.67 0.06 0.00 -0.13 0.00 0.00 55.73 56.31 1rhh s ARG 94 Cb -0.13 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1rhh s ARG 94 CO -0.04 0.53 -0.14 0.16 -0.81 0.00 0.00 175.30 175.01 1rhh s ASP 95 N -0.71 2.09 0.24 -2.12 1.47 0.21 -2.03 116.67 115.83 1rhh s ASP 95 Ca 0.29 -0.87 0.02 0.00 1.18 0.00 0.00 52.55 53.16 1rhh s ASP 95 Cb -0.18 -0.07 -0.05 0.00 -0.34 0.00 0.00 42.92 42.27 1rhh s ASP 95 CO 0.17 -0.17 0.07 0.72 0.68 0.00 0.00 175.17 176.64 1rhh s PHE 96 N -2.42 1.49 -0.36 2.11 -0.71 -1.26 0.11 117.98 116.94 1rhh s PHE 96 Ca 0.12 -1.13 0.02 0.00 -1.04 0.00 0.00 56.93 54.90 1rhh s PHE 96 Cb -0.03 -0.87 0.15 0.00 -1.21 0.00 0.00 43.02 41.05 1rhh s PHE 96 CO 0.03 -0.28 0.32 0.20 -1.34 0.00 0.00 175.22 174.15 1rhh s GLY 97 N -3.29 0.26 -1.30 1.99 0.00 -1.26 -4.09 107.32 99.62 1rhh s GLY 97 Ca 0.35 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.63 1rhh s GLY 97 CO 0.12 2.52 1.74 -1.05 0.00 0.00 0.00 173.10 176.43 1rhh n PRO 98 N 4.20 3.20 -1.40 2.90 -0.02 -1.26 -4.73 135.00 137.89 1rhh n PRO 98 Ca 0.11 -3.28 -0.33 0.00 -2.02 0.00 0.00 63.50 57.98 1rhh n PRO 98 Cb 0.43 -3.49 0.08 0.00 -0.02 0.00 0.00 33.50 30.49 1rhh n PRO 98 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1rhh n ASP 99 N 8.34 7.10 -2.27 2.55 8.00 -1.24 -4.85 116.55 134.19 1rhh n ASP 99 Ca 0.49 -3.78 -0.16 0.00 0.71 0.00 0.00 54.79 52.05 1rhh n ASP 99 Cb 0.46 -0.89 0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1rhh n ASP 99 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1rhh n TRP 100 N -0.91 -1.44 0.00 1.24 7.02 -1.26 -3.33 117.44 118.77 1rhh n TRP 100 Ca 0.60 0.38 0.00 0.00 -1.02 0.00 0.00 57.50 57.46 1rhh n TRP 100 Cb 0.76 -3.58 0.00 0.00 -2.42 0.00 0.00 31.31 26.07 1rhh n TRP 100 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1rhh n GLU 100 N -3.15 0.00 -4.46 -0.99 4.71 -1.26 -5.10 120.64 110.39 1rhh n GLU 100 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.81 1rhh n GLU 100 Cb 0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.94 1rhh n GLU 100 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1rhh n ASP 100 N 0.00 0.84 0.17 1.62 5.75 -1.21 -5.08 116.55 118.64 1rhh n ASP 100 Ca 0.00 -3.26 -0.14 0.00 -0.01 0.00 0.00 54.79 51.38 1rhh n ASP 100 Cb 0.00 1.20 -0.08 0.00 -1.03 0.00 0.00 41.12 41.21 1rhh n ASP 100 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1rhh h GLY 100 N 1.77 -0.40 -5.78 6.12 0.00 -1.88 -3.27 103.07 99.64 1rhh h GLY 100 Ca -0.31 0.15 0.18 0.00 0.00 0.00 0.00 47.33 47.34 1rhh h GLY 100 CO 0.49 -0.15 0.07 -0.35 0.00 0.00 0.00 176.54 176.60 1rhh s ASP 100 N -4.95 -0.73 0.00 0.19 2.15 -1.26 -4.65 116.67 107.42 1rhh s ASP 100 Ca -0.15 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1rhh s ASP 100 Cb 0.04 1.69 0.00 0.00 -0.30 0.00 0.00 42.92 44.35 1rhh s ASP 100 CO 0.62 -0.14 0.30 -1.54 -0.17 0.00 0.00 175.17 174.24 1rhh n SER 100 N 5.29 0.00 0.00 -0.34 3.41 -1.26 -5.08 113.62 115.64 1rhh n SER 100 Ca -0.07 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1rhh n SER 100 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1rhh n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rhh n TYR 100 N 0.00 0.00 0.00 7.33 9.36 -1.26 -5.02 117.16 127.57 1rhh n TYR 100 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1rhh n TYR 100 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1rhh n TYR 100 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1rhh n ASP 100 N 0.00 0.00 0.00 2.98 -0.08 -1.26 -4.34 116.55 113.85 1rhh n ASP 100 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rhh n ASP 100 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1rhh n ASP 100 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rhh n GLY 100 N 0.00 -0.90 3.88 0.27 0.00 -1.26 -5.13 105.19 102.05 1rhh n GLY 100 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1rhh n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rhh s SER 100 N -4.00 6.04 0.00 1.61 0.01 -1.26 -5.11 113.70 110.99 1rhh s SER 100 Ca 0.00 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1rhh s SER 100 Cb 0.00 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1rhh s SER 100 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1rhh n GLY 100 N -0.03 0.80 1.85 3.44 0.00 -1.26 -4.99 105.19 105.00 1rhh n GLY 100 Ca -0.07 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1rhh n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rhh n ARG 100 N 0.00 1.77 -0.98 1.61 1.74 -1.26 -4.92 116.66 114.62 1rhh n ARG 100 Ca 0.00 -1.53 -0.21 0.00 -0.77 0.00 0.00 57.85 55.34 1rhh n ARG 100 Cb 0.00 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1rhh n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rhh n GLY 100 N 0.28 4.47 3.13 -0.13 0.00 -1.26 -4.73 105.19 106.95 1rhh n GLY 100 Ca 0.29 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1rhh n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rhh s PHE 100 N -2.31 -1.20 -0.97 1.61 0.08 -1.26 -5.09 117.98 108.83 1rhh s PHE 100 Ca 0.39 1.44 0.26 0.00 0.12 0.00 0.00 56.93 59.14 1rhh s PHE 100 Cb 0.31 0.36 0.60 0.00 -0.57 0.00 0.00 43.02 43.73 1rhh s PHE 100 CO 0.00 -0.75 1.49 -0.40 -0.10 0.00 0.00 175.22 175.45 1rhh n ASP 101 N 5.40 0.44 -3.71 1.36 5.75 -0.86 -4.82 116.55 120.11 1rhh n ASP 101 Ca -0.04 -0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.50 1rhh n ASP 101 Cb 0.50 0.13 -0.14 0.00 -1.03 0.00 0.00 41.12 40.59 1rhh n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1rhh s PHE 102 N -3.01 -0.31 0.10 2.11 5.36 -1.24 -5.02 117.98 115.96 1rhh s PHE 102 Ca 0.11 0.77 0.09 0.00 -0.96 0.00 0.00 56.93 56.94 1rhh s PHE 102 Cb 0.17 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.78 1rhh s PHE 102 CO 0.68 -0.26 -0.20 -1.58 -1.46 0.00 0.00 175.22 172.40 1rhh s TRP 103 N 1.70 2.49 0.80 10.12 0.52 -1.26 -0.36 118.94 132.95 1rhh s TRP 103 Ca -0.05 -0.29 -0.10 0.00 0.02 0.00 0.00 56.10 55.69 1rhh s TRP 103 Cb -0.11 -1.36 0.11 0.00 -1.15 0.00 0.00 33.47 30.96 1rhh s TRP 103 CO -0.08 0.34 1.13 0.20 0.02 0.00 0.00 176.95 178.56 1rhh s GLY 104 N -1.95 1.70 0.06 0.98 0.00 0.33 -4.63 107.32 103.81 1rhh s GLY 104 Ca 0.16 -1.03 0.18 0.00 0.00 0.00 0.00 44.72 44.03 1rhh s GLY 104 CO 0.08 -0.49 1.56 0.61 0.00 0.00 0.00 173.10 174.86 1rhh n GLN 105 N -3.22 0.05 0.00 2.90 10.64 -1.26 -4.66 117.38 121.82 1rhh n GLN 105 Ca 0.11 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.54 1rhh n GLN 105 Cb 0.60 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 1rhh n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rhh n GLY 106 N 0.15 0.57 2.87 2.61 0.00 -1.26 -5.00 105.19 105.13 1rhh n GLY 106 Ca 0.04 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1rhh n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rhh s THR 107 N -2.72 1.20 -0.38 2.61 2.01 0.01 -4.88 115.64 113.49 1rhh s THR 107 Ca 0.00 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.72 1rhh s THR 107 Cb 0.00 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.97 1rhh s THR 107 CO 0.00 -0.15 0.97 -0.22 -0.69 0.00 0.00 174.62 174.53 1rhh s LEU 108 N 1.54 3.95 -0.25 4.42 2.96 -1.26 0.02 118.68 130.06 1rhh s LEU 108 Ca -0.04 0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 1rhh s LEU 108 Cb -0.18 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1rhh s LEU 108 CO -0.07 -0.92 0.08 -0.69 -1.32 0.00 0.00 176.35 173.43 1rhh s VAL 109 N 3.63 4.41 -0.21 1.68 1.01 -0.34 -2.12 120.40 128.45 1rhh s VAL 109 Ca 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1rhh s VAL 109 Cb -0.11 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1rhh s VAL 109 CO 0.20 0.33 0.04 -0.89 0.00 0.00 0.00 175.10 174.78 1rhh s THR 110 N 1.62 4.23 -0.43 3.92 2.01 -0.63 -1.73 115.64 124.62 1rhh s THR 110 Ca 0.06 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.68 1rhh s THR 110 Cb -0.15 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.46 1rhh s THR 110 CO 0.04 0.40 0.44 -0.69 -0.69 0.00 0.00 174.62 174.12 1rhh s VAL 111 N 1.09 5.10 0.05 3.82 1.01 -1.26 0.25 120.40 130.47 1rhh s VAL 111 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1rhh s VAL 111 Cb -0.14 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1rhh s VAL 111 CO 0.02 -0.46 0.40 -0.55 0.00 0.00 0.00 175.10 174.52 1rhh s SER 112 N 1.95 -0.27 0.00 3.32 0.15 0.19 -4.46 113.70 114.59 1rhh s SER 112 Ca 0.11 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1rhh s SER 112 Cb -0.18 0.43 0.67 0.00 -1.71 0.00 0.00 66.02 65.23 1rhh s SER 112 CO 0.12 -0.68 1.53 -1.54 1.20 0.00 0.00 173.24 173.87 1rhh n SER 113 N 0.42 0.43 -4.78 5.45 3.41 -1.26 -3.71 113.62 113.58 1rhh n SER 113 Ca -0.18 -0.15 -0.37 0.00 -0.26 0.00 0.00 58.87 57.90 1rhh n SER 113 Cb 0.60 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.59 1rhh n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rhh s ALA 114 N -2.96 3.27 0.55 7.33 0.00 -1.26 -5.04 121.76 123.66 1rhh s ALA 114 Ca 0.13 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1rhh s ALA 114 Cb 0.18 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1rhh s ALA 114 CO 0.65 0.21 0.98 -1.54 0.00 0.00 0.00 175.76 176.07 1rhh s SER 115 N -1.54 6.44 0.66 0.00 1.04 -1.26 -4.97 113.70 114.08 1rhh s SER 115 Ca 0.47 1.46 -0.15 0.00 0.48 0.00 0.00 55.95 58.21 1rhh s SER 115 Cb -0.19 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1rhh s SER 115 CO 0.24 -0.69 1.11 0.28 0.98 0.00 0.00 173.24 175.16 1rhh s THR 116 N -2.84 3.20 -0.13 2.02 -1.32 -1.26 -4.82 115.64 110.50 1rhh s THR 116 Ca 0.56 0.56 -0.05 0.00 -1.21 0.00 0.00 61.69 61.55 1rhh s THR 116 Cb -0.10 -3.08 0.06 0.00 -1.51 0.00 0.00 72.50 67.87 1rhh s THR 116 CO 0.41 -0.35 0.27 -0.75 -2.21 0.00 0.00 174.62 171.99 1rhh s LYS 117 N -4.11 0.18 0.73 7.08 2.20 0.82 -4.94 119.74 121.70 1rhh s LYS 117 Ca 0.67 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.86 1rhh s LYS 117 Cb -0.21 -0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.10 1rhh s LYS 117 CO 0.42 -0.25 1.09 0.20 -0.36 0.00 0.00 175.35 176.46 1rhh s GLY 118 N 2.08 1.82 0.50 5.54 0.00 -1.26 -1.24 107.32 114.76 1rhh s GLY 118 Ca -0.02 0.33 -0.17 0.00 0.00 0.00 0.00 44.72 44.86 1rhh s GLY 118 CO -0.09 0.67 0.98 2.56 0.00 0.00 0.00 173.10 177.23 1rhh s PRO 119 N -4.67 4.00 -0.22 2.90 0.04 -1.26 -4.53 135.00 131.26 1rhh s PRO 119 Ca 0.62 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1rhh s PRO 119 Cb -0.18 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1rhh s PRO 119 CO 0.51 -0.23 0.10 -1.12 0.04 0.00 0.00 177.00 176.31 1rhh s SER 120 N -2.90 5.69 -0.22 6.66 0.01 -0.13 -4.93 113.70 117.89 1rhh s SER 120 Ca 0.59 0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 1rhh s SER 120 Cb -0.10 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1rhh s SER 120 CO 0.28 0.09 -0.01 -0.69 0.41 0.00 0.00 173.24 173.31 1rhh s VAL 121 N 0.91 3.69 0.09 3.43 1.01 -1.26 -0.34 120.40 127.93 1rhh s VAL 121 Ca 0.05 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1rhh s VAL 121 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1rhh s VAL 121 CO 0.03 0.41 -0.19 -0.36 0.00 0.00 0.00 175.10 174.99 1rhh s PHE 122 N 1.37 2.52 0.43 5.22 0.08 0.04 -4.95 117.98 122.68 1rhh s PHE 122 Ca 0.04 -0.28 -0.21 0.00 0.12 0.00 0.00 56.93 56.61 1rhh s PHE 122 Cb -0.15 -1.37 -0.11 0.00 -0.57 0.00 0.00 43.02 40.82 1rhh s PHE 122 CO -0.00 0.34 0.95 -1.25 -0.10 0.00 0.00 175.22 175.15 1rhh s PRO 123 N -1.91 4.23 -0.79 0.24 0.04 -1.26 -0.23 135.00 135.31 1rhh s PRO 123 Ca 0.16 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1rhh s PRO 123 Cb -0.10 -2.18 0.19 0.00 0.04 0.00 0.00 34.50 32.45 1rhh s PRO 123 CO 0.08 -0.03 0.63 -0.51 0.04 0.00 0.00 177.00 177.22 1rhh s LEU 124 N -3.18 5.23 0.29 -3.56 1.43 0.64 -4.77 118.68 114.76 1rhh s LEU 124 Ca 0.62 -3.68 -0.29 0.00 -1.03 0.00 0.00 54.13 49.75 1rhh s LEU 124 Cb -0.09 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 1rhh s LEU 124 CO 0.13 -0.16 1.41 0.00 0.23 0.00 0.00 176.35 177.96 1rhh s ALA 125 N -1.25 3.59 0.36 4.21 0.00 -1.26 -1.19 121.76 126.21 1rhh s ALA 125 Ca 0.25 1.34 -0.27 0.00 0.00 0.00 0.00 51.96 53.29 1rhh s ALA 125 Cb -0.08 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1rhh s ALA 125 CO -0.13 -0.75 1.14 -1.25 0.00 0.00 0.00 175.76 174.77 1rhh s PRO 126 N -0.96 4.28 0.20 0.00 0.04 -1.26 -4.91 135.00 132.40 1rhh s PRO 126 Ca 0.56 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 1rhh s PRO 126 Cb -0.42 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1rhh s PRO 126 CO 0.48 -0.11 0.32 -1.13 0.04 0.00 0.00 177.00 176.60 1rhh n SER 127 N 0.45 -0.91 0.20 6.66 3.41 -1.26 -4.22 113.62 117.94 1rhh n SER 127 Ca 0.02 -2.02 0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1rhh n SER 127 Cb 0.46 1.63 0.68 0.00 -0.26 0.00 0.00 64.21 66.72 1rhh n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1rhh h SER 128 N 1.11 0.00 -0.03 4.04 4.64 -1.97 -0.96 113.55 120.38 1rhh h SER 128 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1rhh h SER 128 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1rhh h SER 128 CO 0.22 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.47 1rhh n LYS 129 N -2.50 1.84 -1.68 4.77 4.76 -1.26 -4.01 118.16 120.08 1rhh n LYS 129 Ca -0.00 -1.22 -0.01 0.00 -2.87 0.00 0.00 58.31 54.20 1rhh n LYS 129 Cb 0.14 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 31.93 1rhh n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1rhh n SER 130 N 0.48 2.02 -4.43 4.39 3.41 -0.37 -5.07 113.62 114.06 1rhh n SER 130 Ca 0.18 -2.80 -0.27 0.00 -0.26 0.00 0.00 58.87 55.71 1rhh n SER 130 Cb 0.42 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1rhh n SER 130 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rhh s THR 131 N -2.54 2.40 -0.24 6.66 -4.23 -1.21 -0.24 115.64 116.25 1rhh s THR 131 Ca 0.36 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1rhh s THR 131 Cb 0.37 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 72.20 1rhh s THR 131 CO -0.08 -0.08 0.43 -0.55 -0.54 0.00 0.00 174.62 173.81 1rhh s SER 132 N -2.57 -0.22 1.66 3.99 0.15 0.87 -4.99 113.70 112.59 1rhh s SER 132 Ca 0.20 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1rhh s SER 132 Cb -0.08 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1rhh s SER 132 CO 0.10 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1rhh n GLY 133 N 5.39 2.54 1.89 9.45 0.00 -1.26 -1.19 105.19 122.02 1rhh n GLY 133 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1rhh n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhh n GLY 134 N 0.00 4.30 3.32 -0.02 0.00 -1.26 -4.94 105.19 106.59 1rhh n GLY 134 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1rhh n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rhh s THR 135 N -3.18 2.08 0.00 2.61 2.01 -0.33 -0.96 115.64 117.88 1rhh s THR 135 Ca 0.53 -1.18 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1rhh s THR 135 Cb 0.45 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1rhh s THR 135 CO 0.09 0.52 -0.18 0.00 -0.69 0.00 0.00 174.62 174.37 1rhh s ALA 136 N -0.66 1.50 0.01 7.40 0.00 0.16 -0.09 121.76 130.08 1rhh s ALA 136 Ca 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1rhh s ALA 136 Cb -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1rhh s ALA 136 CO -0.00 0.35 0.04 0.00 0.00 0.00 0.00 175.76 176.15 1rhh s ALA 137 N -0.55 3.41 0.31 0.00 0.00 0.67 -0.89 121.76 124.72 1rhh s ALA 137 Ca 0.06 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1rhh s ALA 137 Cb -0.07 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1rhh s ALA 137 CO 0.00 0.67 0.63 -0.48 0.00 0.00 0.00 175.76 176.58 1rhh s LEU 138 N -1.74 0.18 0.00 0.00 -0.00 -0.52 -4.10 118.68 112.50 1rhh s LEU 138 Ca 0.22 -0.98 0.00 0.00 -0.00 0.00 0.00 54.13 53.37 1rhh s LEU 138 Cb -0.12 2.28 0.00 0.00 -0.00 0.00 0.00 46.19 48.35 1rhh s LEU 138 CO 0.13 -1.37 0.00 0.61 -0.00 0.00 0.00 176.35 175.72 1rhh n GLY 139 N -0.47 -0.89 2.97 -3.48 0.00 -0.34 -0.70 105.19 102.28 1rhh n GLY 139 Ca -0.04 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 1rhh n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhh s LEU 141 N 0.33 4.12 -0.52 0.00 2.96 0.68 -1.02 118.68 125.23 1rhh s LEU 141 Ca -0.05 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1rhh s LEU 141 Cb -0.09 -2.18 0.13 0.00 0.50 0.00 0.00 46.19 44.55 1rhh s LEU 141 CO 0.00 -0.11 0.42 -0.69 -1.32 0.00 0.00 176.35 174.65 1rhh s VAL 142 N 1.82 4.60 0.08 1.68 1.01 0.87 -0.78 120.40 129.67 1rhh s VAL 142 Ca 0.08 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.31 1rhh s VAL 142 Cb -0.16 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1rhh s VAL 142 CO 0.11 -0.83 0.10 -0.54 0.00 0.00 0.00 175.10 173.94 1rhh s LYS 143 N 1.31 2.97 -1.06 2.72 -0.14 0.54 -1.31 119.74 124.76 1rhh s LYS 143 Ca 0.06 -0.65 -0.19 0.00 -1.36 0.00 0.00 55.97 53.83 1rhh s LYS 143 Cb -0.26 -2.78 0.01 0.00 -1.68 0.00 0.00 37.83 33.12 1rhh s LYS 143 CO -0.00 0.57 0.72 -0.25 -0.76 0.00 0.00 175.35 175.63 1rhh n ASP 144 N 0.44 -5.11 -4.53 2.83 8.00 -0.59 -0.95 116.55 116.64 1rhh n ASP 144 Ca -0.08 -1.01 -0.25 0.00 0.71 0.00 0.00 54.79 54.15 1rhh n ASP 144 Cb 0.51 -2.70 -0.10 0.00 -0.02 0.00 0.00 41.12 38.81 1rhh n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1rhh s TYR 145 N -3.35 2.36 -0.28 1.24 -0.85 -0.84 -4.54 117.35 111.09 1rhh s TYR 145 Ca 0.35 -0.50 -0.21 0.00 -0.52 0.00 0.00 57.07 56.19 1rhh s TYR 145 Cb -0.15 -1.33 0.10 0.00 0.38 0.00 0.00 41.96 40.96 1rhh s TYR 145 CO 0.89 0.57 0.85 0.12 -1.52 0.00 0.00 175.55 176.47 1rhh s PHE 146 N -2.63 -0.72 0.00 -3.49 5.36 -0.37 -0.48 117.98 115.64 1rhh s PHE 146 Ca 0.32 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1rhh s PHE 146 Cb 0.02 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1rhh s PHE 146 CO 0.16 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.22 1rhh n PRO 147 N 3.13 2.53 -1.50 10.12 -0.04 -1.26 -0.12 135.00 147.86 1rhh n PRO 147 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1rhh n PRO 147 Cb 0.57 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.11 1rhh n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rhh s GLU 148 N 2.05 2.17 0.44 0.54 0.41 -1.26 -4.80 118.70 118.25 1rhh s GLU 148 Ca 0.00 0.76 0.07 0.00 -0.41 0.00 0.00 54.97 55.39 1rhh s GLU 148 Cb 0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.41 1rhh s GLU 148 CO 0.00 -1.59 0.28 -1.25 -0.49 0.00 0.00 175.26 172.21 1rhh s PRO 149 N -5.09 2.33 -0.03 0.39 0.04 -1.26 -4.86 135.00 126.52 1rhh s PRO 149 Ca 0.61 -1.78 0.05 0.00 0.04 0.00 0.00 61.00 59.91 1rhh s PRO 149 Cb -0.15 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1rhh s PRO 149 CO 0.55 -0.23 -0.17 0.08 0.04 0.00 0.00 177.00 177.27 1rhh s VAL 150 N -2.59 1.39 0.04 -0.36 1.01 -1.26 -4.39 120.40 114.24 1rhh s VAL 150 Ca 0.41 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1rhh s VAL 150 Cb 0.01 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1rhh s VAL 150 CO 0.24 0.40 -0.19 0.42 0.00 0.00 0.00 175.10 175.96 1rhh s THR 151 N -0.09 2.68 -0.05 3.92 -4.23 -0.57 -4.96 115.64 112.35 1rhh s THR 151 Ca -0.01 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1rhh s THR 151 Cb -0.10 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1rhh s THR 151 CO 0.01 0.34 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.66 1rhh s VAL 152 N -0.91 0.84 0.34 2.29 1.01 -1.26 -0.71 120.40 122.00 1rhh s VAL 152 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1rhh s VAL 152 Cb -0.10 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1rhh s VAL 152 CO 0.05 0.28 0.02 -0.94 0.00 0.00 0.00 175.10 174.51 1rhh s SER 153 N 0.63 2.85 -0.06 3.32 1.04 -0.61 -4.95 113.70 115.92 1rhh s SER 153 Ca -0.11 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.03 1rhh s SER 153 Cb -0.14 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.80 1rhh s SER 153 CO 0.02 -0.51 -0.19 0.26 0.98 0.00 0.00 173.24 173.79 1rhh s TRP 154 N -3.08 2.01 -1.51 5.02 0.52 -1.26 -0.40 118.94 120.25 1rhh s TRP 154 Ca 0.35 -0.68 -0.08 0.00 0.02 0.00 0.00 56.10 55.70 1rhh s TRP 154 Cb 0.08 -1.36 0.06 0.00 -1.15 0.00 0.00 33.47 31.10 1rhh s TRP 154 CO 0.15 -0.26 0.67 0.09 0.02 0.00 0.00 176.95 177.63 1rhh n ASN 155 N 3.33 -2.18 -2.41 2.95 3.02 0.69 -0.88 115.26 119.77 1rhh n ASN 155 Ca -0.19 -0.94 -0.17 0.00 -0.03 0.00 0.00 54.58 53.24 1rhh n ASN 155 Cb 0.53 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.43 1rhh n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rhh n SER 156 N -2.87 -5.11 0.00 6.41 7.64 -1.26 -1.42 113.62 117.00 1rhh n SER 156 Ca -0.13 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1rhh n SER 156 Cb 0.60 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1rhh n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rhh n GLY 157 N -0.93 0.49 0.20 0.23 0.00 -0.06 -4.92 105.19 100.20 1rhh n GLY 157 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1rhh n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhh h ALA 158 N 0.00 1.00 -3.48 4.61 0.00 -1.08 -3.41 119.26 116.90 1rhh h ALA 158 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1rhh h ALA 158 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 1rhh h ALA 158 CO 0.00 0.00 -0.80 -1.17 0.00 0.00 0.00 179.25 177.28 1rhh s LEU 159 N -5.54 3.07 0.00 0.00 2.96 -0.99 -4.93 118.68 113.26 1rhh s LEU 159 Ca 0.05 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 1rhh s LEU 159 Cb 0.09 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.20 1rhh s LEU 159 CO 0.55 -0.13 0.00 0.35 -1.32 0.00 0.00 176.35 175.80 1rhh n THR 160 N 4.55 0.00 -2.10 3.68 -2.24 -1.26 -4.07 114.28 112.85 1rhh n THR 160 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1rhh n THR 160 Cb 0.45 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 1rhh n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rhh s SER 161 N -2.89 6.75 0.00 3.42 0.15 -1.26 -2.67 113.70 117.20 1rhh s SER 161 Ca 0.00 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1rhh s SER 161 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1rhh s SER 161 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1rhh n GLY 162 N 3.69 1.02 3.72 9.45 0.00 -1.26 -4.72 105.19 117.09 1rhh n GLY 162 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rhh n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rhh s VAL 163 N -3.03 4.69 -0.17 1.61 1.01 -1.09 -3.32 120.40 120.11 1rhh s VAL 163 Ca 0.00 2.05 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 1rhh s VAL 163 Cb 0.00 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1rhh s VAL 163 CO 0.00 0.22 -0.02 -1.00 0.00 0.00 0.00 175.10 174.31 1rhh s HIS 164 N 0.59 1.39 -0.27 5.22 3.76 0.65 -4.99 115.29 121.64 1rhh s HIS 164 Ca 0.50 -0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1rhh s HIS 164 Cb -0.22 -1.17 -0.00 0.00 1.11 0.00 0.00 32.58 32.30 1rhh s HIS 164 CO 0.29 -0.58 0.06 0.99 -0.85 0.00 0.00 174.74 174.64 1rhh s THR 165 N 1.74 3.95 0.48 1.30 2.01 -1.26 -0.69 115.64 123.16 1rhh s THR 165 Ca 0.00 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 1rhh s THR 165 Cb -0.16 -2.95 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 1rhh s THR 165 CO -0.07 0.20 1.04 -0.36 -0.69 0.00 0.00 174.62 174.73 1rhh s PHE 166 N 1.52 3.02 0.53 4.92 0.08 -0.48 -5.01 117.98 122.57 1rhh s PHE 166 Ca 0.04 1.58 -0.20 0.00 0.12 0.00 0.00 56.93 58.47 1rhh s PHE 166 Cb -0.16 -3.06 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 1rhh s PHE 166 CO 0.02 -0.79 1.15 -1.25 -0.10 0.00 0.00 175.22 174.24 1rhh s PRO 167 N -3.17 3.43 0.69 0.24 0.04 -1.26 -4.46 135.00 130.50 1rhh s PRO 167 Ca 0.66 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 1rhh s PRO 167 Cb -0.17 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1rhh s PRO 167 CO 0.20 -0.80 1.12 0.00 0.04 0.00 0.00 177.00 177.56 1rhh s ALA 168 N -1.70 2.39 0.03 8.56 0.00 -1.26 -4.82 121.76 124.97 1rhh s ALA 168 Ca 0.71 0.53 0.08 0.00 0.00 0.00 0.00 51.96 53.28 1rhh s ALA 168 Cb -0.26 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1rhh s ALA 168 CO 0.29 -1.42 -0.22 0.14 0.00 0.00 0.00 175.76 174.55 1rhh s VAL 169 N -2.40 2.47 -0.42 0.00 -7.23 0.28 -4.92 120.40 108.18 1rhh s VAL 169 Ca 0.67 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 1rhh s VAL 169 Cb -0.21 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1rhh s VAL 169 CO 0.44 0.39 0.55 -0.22 -0.31 0.00 0.00 175.10 175.95 1rhh s LEU 170 N -1.23 4.60 0.88 1.32 1.98 -1.26 -1.75 118.68 123.22 1rhh s LEU 170 Ca 0.13 -0.41 -0.12 0.00 -2.89 0.00 0.00 54.13 50.84 1rhh s LEU 170 Cb -0.10 -2.58 0.12 0.00 0.66 0.00 0.00 46.19 44.28 1rhh s LEU 170 CO 0.03 -0.66 1.11 -1.10 -1.89 0.00 0.00 176.35 173.84 1rhh s GLN 171 N 2.51 1.44 0.57 1.98 -0.21 -0.50 -4.89 119.66 120.55 1rhh s GLN 171 Ca 0.18 0.50 0.26 0.00 0.02 0.00 0.00 55.36 56.33 1rhh s GLN 171 Cb -0.15 -1.86 1.58 0.00 1.00 0.00 0.00 33.01 33.58 1rhh s GLN 171 CO 0.16 -2.04 2.11 0.66 -2.12 0.00 0.00 175.29 174.06 1rhh h SER 172 N -1.39 0.00 0.54 5.90 4.64 -1.97 -0.14 113.55 121.14 1rhh h SER 172 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1rhh h SER 172 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1rhh h SER 172 CO 0.60 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 1rhh n SER 173 N -4.00 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 111.88 1rhh n SER 173 Ca 0.02 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1rhh n SER 173 Cb 0.30 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1rhh n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rhh n GLY 174 N 0.43 0.76 3.72 5.00 0.00 -0.06 -5.04 105.19 109.99 1rhh n GLY 174 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1rhh n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rhh s LEU 175 N 0.00 3.59 0.47 0.99 1.43 -1.26 -4.88 118.68 119.02 1rhh s LEU 175 Ca 0.00 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1rhh s LEU 175 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1rhh s LEU 175 CO 0.00 0.17 0.79 -0.31 0.23 0.00 0.00 176.35 177.23 1rhh s TYR 176 N -1.34 3.55 -0.15 0.29 2.02 0.37 -1.41 117.35 120.67 1rhh s TYR 176 Ca 0.27 0.88 -0.14 0.00 -0.37 0.00 0.00 57.07 57.71 1rhh s TYR 176 Cb -0.12 -2.35 0.04 0.00 -0.40 0.00 0.00 41.96 39.13 1rhh s TYR 176 CO 0.20 -0.25 0.41 0.45 -1.57 0.00 0.00 175.55 174.78 1rhh s SER 177 N -3.89 -0.43 0.28 2.29 0.15 -0.72 -1.54 113.70 109.84 1rhh s SER 177 Ca 0.48 0.83 -0.12 0.00 0.70 0.00 0.00 55.95 57.85 1rhh s SER 177 Cb -0.10 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1rhh s SER 177 CO 0.42 -0.14 0.53 -1.48 1.20 0.00 0.00 173.24 173.77 1rhh s LEU 178 N 0.24 0.38 0.06 3.45 0.05 -0.42 -0.55 118.68 121.88 1rhh s LEU 178 Ca -0.00 -1.04 -0.06 0.00 0.05 0.00 0.00 54.13 53.08 1rhh s LEU 178 Cb -0.03 1.90 -0.01 0.00 -2.05 0.00 0.00 46.19 45.99 1rhh s LEU 178 CO 0.00 -1.25 0.10 -0.94 -0.55 0.00 0.00 176.35 173.72 1rhh s SER 179 N -3.06 0.23 -0.05 1.48 1.04 -1.26 -0.09 113.70 111.99 1rhh s SER 179 Ca 0.22 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1rhh s SER 179 Cb -0.01 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1rhh s SER 179 CO 0.11 -0.61 -0.06 -0.55 0.98 0.00 0.00 173.24 173.11 1rhh s SER 180 N -2.58 1.09 0.27 7.02 0.15 -0.19 -1.38 113.70 118.08 1rhh s SER 180 Ca 0.01 -0.16 0.07 0.00 0.70 0.00 0.00 55.95 56.58 1rhh s SER 180 Cb 0.03 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 1rhh s SER 180 CO -0.08 -0.04 -0.09 0.68 1.20 0.00 0.00 173.24 174.91 1rhh s VAL 181 N 0.85 1.77 -0.07 4.45 -7.23 0.13 -0.42 120.40 119.89 1rhh s VAL 181 Ca -0.12 -2.17 -0.18 0.00 -1.81 0.00 0.00 61.98 57.70 1rhh s VAL 181 Cb -0.15 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.48 1rhh s VAL 181 CO 0.01 -0.37 0.43 0.54 -0.31 0.00 0.00 175.10 175.40 1rhh s VAL 182 N -2.94 0.03 -0.10 1.32 0.11 0.12 -0.25 120.40 118.69 1rhh s VAL 182 Ca 0.28 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1rhh s VAL 182 Cb 0.02 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1rhh s VAL 182 CO 0.11 -0.13 -0.09 0.42 -3.33 0.00 0.00 175.10 172.08 1rhh s THR 183 N -0.80 3.44 0.20 5.04 -4.23 -1.21 -1.44 115.64 116.63 1rhh s THR 183 Ca -0.09 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1rhh s THR 183 Cb -0.04 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1rhh s THR 183 CO 0.04 0.56 0.12 0.68 -0.54 0.00 0.00 174.62 175.48 1rhh s VAL 184 N -0.24 0.06 0.09 2.29 -7.23 -0.07 -4.76 120.40 110.54 1rhh s VAL 184 Ca 0.02 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 1rhh s VAL 184 Cb -0.13 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 1rhh s VAL 184 CO 0.03 -0.04 1.47 -2.84 -0.31 0.00 0.00 175.10 173.41 1rhh s PRO 185 N -4.14 4.27 0.40 4.82 0.02 -1.26 -0.66 135.00 138.44 1rhh s PRO 185 Ca 0.38 2.15 0.13 0.00 0.02 0.00 0.00 61.00 63.68 1rhh s PRO 185 Cb 0.07 -3.36 0.96 0.00 0.02 0.00 0.00 34.50 32.20 1rhh s PRO 185 CO 0.11 -0.55 1.88 0.77 -0.33 0.00 0.00 177.00 178.89 1rhh h SER 186 N 7.27 0.50 0.35 2.53 0.02 -1.34 0.33 113.55 123.21 1rhh h SER 186 Ca -0.41 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1rhh h SER 186 Cb 1.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1rhh h SER 186 CO 0.89 0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 175.29 1rhh n SER 187 N -4.52 0.59 0.05 3.07 3.41 -1.26 -2.15 113.62 112.81 1rhh n SER 187 Ca 0.17 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 1rhh n SER 187 Cb 0.54 -0.81 0.12 0.00 -0.26 0.00 0.00 64.21 63.81 1rhh n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rhh n SER 188 N -2.22 0.67 0.08 4.04 3.41 0.11 -4.32 113.62 115.38 1rhh n SER 188 Ca 0.00 0.03 0.20 0.00 -0.26 0.00 0.00 58.87 58.84 1rhh n SER 188 Cb 0.13 0.36 0.74 0.00 -0.26 0.00 0.00 64.21 65.18 1rhh n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rhh h LEU 189 N 0.00 0.00 0.00 1.04 3.38 -1.51 0.34 115.31 118.56 1rhh h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rhh h LEU 189 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1rhh h LEU 189 CO 0.00 0.00 -0.84 0.61 0.09 0.00 0.00 178.44 178.30 1rhh n GLY 190 N -1.53 -1.13 0.02 0.83 0.00 -1.26 -4.53 105.19 97.59 1rhh n GLY 190 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1rhh n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rhh n THR 191 N -1.59 0.24 -3.57 2.61 -2.24 -0.56 -5.01 114.28 104.16 1rhh n THR 191 Ca 0.04 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1rhh n THR 191 Cb 0.35 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 1rhh n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1rhh s GLN 192 N -2.08 4.14 0.20 -0.78 2.00 0.11 -5.07 119.66 118.18 1rhh s GLN 192 Ca -0.03 -0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 52.96 1rhh s GLN 192 Cb 0.01 -3.51 -0.08 0.00 0.80 0.00 0.00 33.01 30.23 1rhh s GLN 192 CO 0.13 0.08 0.94 0.99 -0.50 0.00 0.00 175.29 176.92 1rhh s THR 193 N 0.99 4.19 -0.15 -0.34 2.01 -1.26 -4.70 115.64 116.39 1rhh s THR 193 Ca 0.12 2.08 0.00 0.00 0.31 0.00 0.00 61.69 64.20 1rhh s THR 193 Cb -0.14 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.08 1rhh s THR 193 CO 0.05 0.45 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.00 1rhh s TYR 194 N -0.86 2.07 -0.05 4.92 2.02 -1.26 -4.96 117.35 119.22 1rhh s TYR 194 Ca 0.42 -1.19 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1rhh s TYR 194 Cb -0.25 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1rhh s TYR 194 CO 0.31 -0.65 -0.10 0.42 -1.57 0.00 0.00 175.55 173.96 1rhh s ILE 195 N 1.52 0.91 -0.08 2.71 1.01 -1.26 -0.45 121.20 125.56 1rhh s ILE 195 Ca 0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1rhh s ILE 195 Cb -0.13 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1rhh s ILE 195 CO -0.10 0.30 0.28 0.00 0.00 0.00 0.00 174.94 175.42 1rhh s ASN 197 N -0.66 5.40 -0.30 0.00 -0.87 0.46 -1.36 114.94 117.61 1rhh s ASN 197 Ca 0.19 -1.34 -0.10 0.00 -1.57 0.00 0.00 52.86 50.03 1rhh s ASN 197 Cb -0.14 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1rhh s ASN 197 CO 0.07 -0.41 0.17 -0.69 -2.57 0.00 0.00 177.10 173.68 1rhh s VAL 198 N 1.38 4.95 -0.17 1.60 1.01 0.84 -1.57 120.40 128.43 1rhh s VAL 198 Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1rhh s VAL 198 Cb -0.21 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1rhh s VAL 198 CO 0.02 0.15 -0.03 0.21 0.00 0.00 0.00 175.10 175.45 1rhh s ASN 199 N 1.69 4.71 -0.52 3.32 3.04 0.11 0.18 114.94 127.47 1rhh s ASN 199 Ca 0.06 -0.19 0.04 0.00 0.04 0.00 0.00 52.86 52.81 1rhh s ASN 199 Cb -0.16 -1.78 0.16 0.00 -1.54 0.00 0.00 41.25 37.92 1rhh s ASN 199 CO 0.08 0.12 0.36 -2.28 -3.04 0.00 0.00 177.10 172.34 1rhh s HIS 200 N 0.66 2.22 0.35 0.43 5.65 0.50 -1.51 115.29 123.60 1rhh s HIS 200 Ca -0.02 -2.70 0.07 0.00 0.25 0.00 0.00 55.06 52.66 1rhh s HIS 200 Cb -0.14 -1.84 0.76 0.00 -1.18 0.00 0.00 32.58 30.17 1rhh s HIS 200 CO 0.02 -0.72 1.89 0.87 -0.65 0.00 0.00 174.74 176.15 1rhh h LYS 201 N 5.91 0.74 -0.55 2.88 1.79 -1.77 -2.25 116.57 123.32 1rhh h LYS 201 Ca 0.14 -0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.69 1rhh h LYS 201 Cb 0.86 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 1rhh h LYS 201 CO 0.52 0.49 0.38 -1.35 -1.08 0.00 0.00 179.45 178.41 1rhh h PRO 202 N 0.76 0.18 -0.48 3.15 0.11 -1.82 -0.47 132.00 133.42 1rhh h PRO 202 Ca 0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1rhh h PRO 202 Cb 0.57 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1rhh h PRO 202 CO -0.18 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.59 1rhh n SER 203 N -4.43 3.31 -3.41 -2.05 3.41 -0.92 -4.66 113.62 104.88 1rhh n SER 203 Ca 0.10 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.49 1rhh n SER 203 Cb 0.49 -0.32 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1rhh n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rhh n ASN 204 N 1.02 -5.91 -4.32 4.04 3.02 -0.19 -4.92 115.26 108.02 1rhh n ASN 204 Ca 0.17 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 53.94 1rhh n ASN 204 Cb 0.51 -4.71 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 1rhh n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1rhh s THR 205 N -3.24 2.07 -0.06 3.41 2.01 -0.89 -5.01 115.64 113.92 1rhh s THR 205 Ca 0.48 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1rhh s THR 205 Cb -0.22 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1rhh s THR 205 CO 0.59 0.56 -0.05 -0.75 -0.69 0.00 0.00 174.62 174.28 1rhh s LYS 206 N -0.68 1.01 -0.12 4.92 2.20 -1.26 -0.37 119.74 125.45 1rhh s LYS 206 Ca 0.10 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1rhh s LYS 206 Cb -0.10 -1.06 0.01 0.00 -1.51 0.00 0.00 37.83 35.17 1rhh s LYS 206 CO -0.01 -0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 174.73 1rhh s VAL 207 N 1.23 1.80 -0.15 4.02 1.01 0.13 -4.97 120.40 123.46 1rhh s VAL 207 Ca -0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1rhh s VAL 207 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1rhh s VAL 207 CO -0.02 0.50 0.03 -1.81 0.00 0.00 0.00 175.10 173.80 1rhh s ASP 208 N 0.81 5.41 -0.16 3.32 1.01 -1.26 -0.11 116.67 125.69 1rhh s ASP 208 Ca -0.09 0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.24 1rhh s ASP 208 Cb -0.16 -1.82 0.04 0.00 1.01 0.00 0.00 42.92 42.00 1rhh s ASP 208 CO -0.00 0.24 -0.03 -0.75 0.21 0.00 0.00 175.17 174.84 1rhh s LYS 209 N -0.02 1.21 0.09 8.23 2.47 -0.46 -4.97 119.74 126.28 1rhh s LYS 209 Ca 0.05 -0.44 -0.30 0.00 -1.56 0.00 0.00 55.97 53.71 1rhh s LYS 209 Cb -0.12 -1.93 -0.06 0.00 -1.46 0.00 0.00 37.83 34.26 1rhh s LYS 209 CO 0.01 -0.46 1.04 0.21 0.16 0.00 0.00 175.35 176.32 1rhh s LYS 210 N 1.70 4.59 -0.18 4.03 2.20 -1.26 -1.59 119.74 129.23 1rhh s LYS 210 Ca 0.01 1.57 -0.01 0.00 -0.36 0.00 0.00 55.97 57.18 1rhh s LYS 210 Cb -0.15 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1rhh s LYS 210 CO -0.07 0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 174.89 1rhh s VAL 211 N 0.37 2.64 0.15 4.02 1.01 0.41 -4.95 120.40 124.05 1rhh s VAL 211 Ca 0.51 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1rhh s VAL 211 Cb -0.25 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1rhh s VAL 211 CO 0.31 0.50 0.03 -1.83 0.00 0.00 0.00 175.10 174.11 1rhh s GLU 212 N 1.18 1.02 0.36 2.72 -1.05 -1.26 -4.36 118.70 117.31 1rhh s GLU 212 Ca 0.02 -1.49 -0.28 0.00 -0.15 0.00 0.00 54.97 53.06 1rhh s GLU 212 Cb -0.14 0.01 -0.11 0.00 -0.44 0.00 0.00 34.13 33.44 1rhh s GLU 212 CO -0.06 -0.20 1.48 -2.30 0.95 0.00 0.00 175.26 175.13 1rhh n PRO 213 N -0.17 2.63 -2.61 -4.83 -0.02 -1.26 -4.41 135.00 124.33 1rhh n PRO 213 Ca -0.06 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 61.97 1rhh n PRO 213 Cb 0.64 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 1rhh n PRO 213 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1rhh s LYS 214 N -1.87 4.38 0.36 -0.52 2.20 -1.26 -5.02 119.74 118.02 1rhh s LYS 214 Ca 0.55 1.50 -0.25 0.00 -0.36 0.00 0.00 55.97 57.41 1rhh s LYS 214 Cb -0.49 -2.74 -0.10 0.00 -1.51 0.00 0.00 37.83 33.00 1rhh s LYS 214 CO 0.62 0.06 0.96 -1.54 -0.36 0.00 0.00 175.35 175.08 1rhh s SER 215 N -1.47 7.18 0.00 1.43 1.04 -1.26 -5.11 113.70 115.51 1rhh s SER 215 Ca 0.53 1.82 0.28 0.00 0.48 0.00 0.00 55.95 59.06 1rhh s SER 215 Cb -0.23 -2.57 0.95 0.00 0.10 0.00 0.00 66.02 64.28 1rhh s SER 215 CO 0.29 -0.19 1.69 0.00 0.98 0.00 0.00 173.24 176.01