#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrh s VAL 2 N 0.00 5.30 0.25 2.53 -7.23 -1.04 -4.99 120.40 115.22 1mrh s VAL 2 Ca 0.00 0.38 0.12 0.00 -1.81 0.00 0.00 61.98 60.67 1mrh s VAL 2 Cb 0.00 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1mrh s VAL 2 CO 0.00 0.53 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.66 1mrh s SER 3 N -1.26 3.52 -0.05 4.85 0.01 -1.26 -0.36 113.70 119.16 1mrh s SER 3 Ca 0.22 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1mrh s SER 3 Cb -0.14 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.83 1mrh s SER 3 CO 0.11 0.07 0.26 0.12 0.41 0.00 0.00 173.24 174.20 1mrh s PHE 4 N -2.18 -0.18 -0.18 2.43 5.36 -0.12 -4.86 117.98 118.25 1mrh s PHE 4 Ca 0.26 0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1mrh s PHE 4 Cb -0.06 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.74 1mrh s PHE 4 CO 0.13 -0.26 -0.03 1.03 -1.46 0.00 0.00 175.22 174.63 1mrh s ARG 5 N -0.72 1.23 0.51 10.12 0.52 -1.26 -1.15 118.95 128.20 1mrh s ARG 5 Ca -0.08 -0.55 0.26 0.00 -0.52 0.00 0.00 55.73 54.84 1mrh s ARG 5 Cb -0.04 -2.09 1.39 0.00 0.52 0.00 0.00 34.95 34.73 1mrh s ARG 5 CO 0.02 -0.51 2.05 -0.07 0.02 0.00 0.00 175.30 176.81 1mrh h LEU 6 N 8.13 0.00 -8.74 2.53 -0.00 -1.50 -3.37 115.31 112.35 1mrh h LEU 6 Ca -0.21 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.14 1mrh h LEU 6 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 1mrh h LEU 6 CO 0.38 0.13 1.45 -0.55 -0.00 0.00 0.00 178.44 179.85 1mrh s SER 7 N -6.21 5.22 0.00 -0.43 0.15 -1.26 -2.13 113.70 109.04 1mrh s SER 7 Ca -0.03 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1mrh s SER 7 Cb 0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1mrh s SER 7 CO 0.59 -2.26 0.00 0.61 1.20 0.00 0.00 173.24 173.38 1mrh n GLY 8 N 5.74 0.56 3.51 9.45 0.00 -1.26 -5.02 105.19 118.18 1mrh n GLY 8 Ca 0.28 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1mrh n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrh s ALA 9 N -2.18 3.45 0.48 4.61 0.00 -0.90 -5.01 121.76 122.22 1mrh s ALA 9 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.66 1mrh s ALA 9 Cb 0.00 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.22 1mrh s ALA 9 CO 0.00 -1.38 0.57 -0.40 0.00 0.00 0.00 175.76 174.56 1mrh n ASP 10 N 5.57 1.15 0.25 0.00 5.68 -1.26 -4.98 116.55 122.96 1mrh n ASP 10 Ca -0.07 -1.88 0.10 0.00 -0.50 0.00 0.00 54.79 52.44 1mrh n ASP 10 Cb 0.48 -0.34 0.65 0.00 -1.14 0.00 0.00 41.12 40.78 1mrh n ASP 10 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1mrh h PRO 11 N 0.00 0.00 -0.17 0.11 0.11 -1.95 -3.07 132.00 127.02 1mrh h PRO 11 Ca -0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 1mrh h PRO 11 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1mrh h PRO 11 CO 0.24 0.15 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.06 1mrh h ARG 12 N 0.00 0.33 -0.04 1.05 2.43 -1.97 -2.54 114.38 113.64 1mrh h ARG 12 Ca -0.00 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.88 1mrh h ARG 12 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1mrh h ARG 12 CO 0.02 0.59 -0.72 0.66 -1.51 0.00 0.00 179.97 179.00 1mrh h SER 13 N 0.05 0.25 0.89 -3.80 4.64 -1.93 -0.25 113.55 113.39 1mrh h SER 13 Ca 0.05 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1mrh h SER 13 Cb 0.46 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1mrh h SER 13 CO 0.02 0.89 -0.48 0.22 -0.87 0.00 0.00 176.83 176.60 1mrh h TYR 14 N 0.14 -1.25 -0.89 4.77 3.20 -1.60 0.04 116.97 121.38 1mrh h TYR 14 Ca -0.02 -0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.06 1mrh h TYR 14 Cb 1.28 0.43 -0.15 0.00 1.54 0.00 0.00 36.73 39.83 1mrh h TYR 14 CO 0.02 -0.74 0.13 0.78 -1.64 0.00 0.00 178.16 176.72 1mrh h GLY 15 N -1.25 1.24 1.00 1.82 0.00 -1.28 0.46 103.07 105.06 1mrh h GLY 15 Ca -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1mrh h GLY 15 CO 0.17 -0.41 0.34 -0.33 0.00 0.00 0.00 176.54 176.31 1mrh h MET 16 N 0.12 0.96 -0.39 4.80 2.86 -0.96 0.16 114.93 122.48 1mrh h MET 16 Ca 0.54 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 1mrh h MET 16 Cb 1.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1mrh h MET 16 CO -0.74 0.75 0.22 0.35 1.06 0.00 0.00 176.91 178.56 1mrh h PHE 17 N 0.93 0.53 -0.21 -0.22 3.57 0.14 -1.89 116.94 119.80 1mrh h PHE 17 Ca 0.23 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1mrh h PHE 17 Cb 0.10 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1mrh h PHE 17 CO 0.00 0.40 -0.07 0.82 -2.23 0.00 0.00 178.31 177.23 1mrh h ILE 18 N 0.51 1.17 -0.36 1.41 1.08 0.36 -0.85 117.51 120.83 1mrh h ILE 18 Ca 0.14 -0.71 -0.05 0.00 -0.39 0.00 0.00 64.86 63.84 1mrh h ILE 18 Cb 0.04 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1mrh h ILE 18 CO -0.02 0.23 0.03 0.50 -0.69 0.00 0.00 178.15 178.19 1mrh h LYS 19 N 0.30 0.62 -0.25 2.37 1.63 -0.39 -1.34 116.57 119.52 1mrh h LYS 19 Ca 0.07 -0.19 0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1mrh h LYS 19 Cb 0.32 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 1mrh h LYS 19 CO 0.01 0.71 -0.25 -0.44 -3.45 0.00 0.00 179.45 176.04 1mrh h ASP 20 N 0.45 -0.79 0.12 4.20 5.19 -0.60 0.02 116.42 125.00 1mrh h ASP 20 Ca 0.11 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1mrh h ASP 20 Cb 0.42 0.37 -0.04 0.00 0.18 0.00 0.00 39.33 40.26 1mrh h ASP 20 CO 0.01 -0.28 -0.32 0.25 -3.12 0.00 0.00 179.24 175.78 1mrh h LEU 21 N -0.25 -0.94 -0.90 1.55 5.85 -0.90 0.76 115.31 120.48 1mrh h LEU 21 Ca 0.14 0.11 0.23 0.00 0.84 0.00 0.00 57.88 59.20 1mrh h LEU 21 Cb 0.47 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.72 1mrh h LEU 21 CO -0.39 -0.41 0.37 0.03 -0.34 0.00 0.00 178.44 177.70 1mrh h ARG 22 N -0.55 0.34 0.00 1.25 3.08 -1.11 -2.19 114.38 115.21 1mrh h ARG 22 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1mrh h ARG 22 Cb 0.58 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1mrh h ARG 22 CO -0.19 0.23 0.00 -0.91 -1.07 0.00 0.00 179.97 178.02 1mrh h ASN 23 N 0.35 0.00 0.96 7.04 -0.26 0.11 -3.01 115.58 120.77 1mrh h ASN 23 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.31 1mrh h ASN 23 Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1mrh h ASN 23 CO -0.56 0.00 -0.51 0.00 -1.06 0.00 0.00 177.43 175.30 1mrh n ALA 24 N -1.82 2.83 -1.76 -0.83 0.00 0.00 -4.82 120.51 114.11 1mrh n ALA 24 Ca 0.05 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 1mrh n ALA 24 Cb 0.40 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1mrh n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mrh s LEU 25 N -4.22 4.48 0.24 0.00 1.43 -1.14 -5.04 118.68 114.43 1mrh s LEU 25 Ca 0.07 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.09 1mrh s LEU 25 Cb 0.13 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 1mrh s LEU 25 CO 0.70 -0.03 0.51 -2.16 0.23 0.00 0.00 176.35 175.60 1mrh s PRO 26 N -1.64 3.67 0.04 1.29 0.04 -1.26 -5.07 135.00 132.08 1mrh s PRO 26 Ca 0.46 0.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 1mrh s PRO 26 Cb -0.24 -2.69 0.05 0.00 0.04 0.00 0.00 34.50 31.65 1mrh s PRO 26 CO 0.31 0.29 0.49 -0.59 0.04 0.00 0.00 177.00 177.54 1mrh s PHE 27 N -1.93 -0.39 -0.21 0.56 -0.71 -1.26 -3.18 117.98 110.87 1mrh s PHE 27 Ca 0.44 0.43 -0.15 0.00 -1.04 0.00 0.00 56.93 56.61 1mrh s PHE 27 Cb -0.11 0.31 -0.08 0.00 -1.21 0.00 0.00 43.02 41.92 1mrh s PHE 27 CO 0.26 -0.62 -0.33 -2.13 -1.34 0.00 0.00 175.22 171.07 1mrh n ARG 28 N 0.48 0.52 -3.16 1.99 3.00 -1.25 -4.98 116.66 113.26 1mrh n ARG 28 Ca -0.18 0.22 -0.18 0.00 -0.00 0.00 0.00 57.85 57.70 1mrh n ARG 28 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.66 1mrh n ARG 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mrh s GLU 29 N -2.69 2.81 -0.10 -0.14 2.02 -1.26 -5.00 118.70 114.34 1mrh s GLU 29 Ca -0.31 -1.26 0.04 0.00 0.02 0.00 0.00 54.97 53.46 1mrh s GLU 29 Cb 0.08 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1mrh s GLU 29 CO 0.43 -0.22 -0.23 0.15 0.02 0.00 0.00 175.26 175.41 1mrh s LYS 30 N -4.29 2.97 -0.31 1.61 1.02 -1.26 -1.33 119.74 118.15 1mrh s LYS 30 Ca 0.53 -0.85 -0.10 0.00 0.02 0.00 0.00 55.97 55.56 1mrh s LYS 30 Cb -0.09 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1mrh s LYS 30 CO 0.32 0.16 0.17 0.08 -0.92 0.00 0.00 175.35 175.16 1mrh s VAL 31 N 0.38 4.80 -1.44 3.17 1.01 0.62 -4.40 120.40 124.53 1mrh s VAL 31 Ca -0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1mrh s VAL 31 Cb -0.18 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1mrh s VAL 31 CO 0.08 0.10 0.49 -1.22 0.00 0.00 0.00 175.10 174.55 1mrh n TYR 32 N 5.01 -1.82 -0.44 5.22 4.01 -1.26 -0.88 117.16 127.00 1mrh n TYR 32 Ca -0.14 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1mrh n TYR 32 Cb 0.50 -3.83 0.00 0.00 -0.31 0.00 0.00 39.34 35.70 1mrh n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mrh n ASN 33 N -2.37 0.00 -4.76 7.72 5.15 -1.26 -5.01 115.26 114.74 1mrh n ASN 33 Ca -0.09 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.50 1mrh n ASN 33 Cb 0.60 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.79 1mrh n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1mrh s ILE 34 N -3.35 5.01 0.01 -1.44 1.01 -0.06 -4.95 121.20 117.43 1mrh s ILE 34 Ca 0.00 1.13 -0.37 0.00 0.00 0.00 0.00 60.65 61.42 1mrh s ILE 34 Cb 0.00 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.43 1mrh s ILE 34 CO 0.00 0.40 1.53 -2.65 0.00 0.00 0.00 174.94 174.22 1mrh n PRO 35 N 2.97 1.48 -3.36 2.79 -0.02 -1.26 -0.27 135.00 137.31 1mrh n PRO 35 Ca -0.07 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.54 1mrh n PRO 35 Cb 0.51 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1mrh n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mrh s LEU 36 N 1.55 4.26 0.27 2.45 2.96 -0.44 -0.89 118.68 128.84 1mrh s LEU 36 Ca 0.87 0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.51 1mrh s LEU 36 Cb -0.89 -2.43 -0.09 0.00 0.50 0.00 0.00 46.19 43.28 1mrh s LEU 36 CO 0.49 -0.31 1.13 -0.76 -1.32 0.00 0.00 176.35 175.58 1mrh s LEU 37 N 2.12 4.53 0.52 -0.68 1.43 -0.47 -3.80 118.68 122.33 1mrh s LEU 37 Ca 0.15 2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 55.35 1mrh s LEU 37 Cb -0.16 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1mrh s LEU 37 CO 0.11 -0.21 0.77 0.18 0.23 0.00 0.00 176.35 177.43 1mrh n LEU 38 N 1.29 1.93 0.14 1.79 4.77 -1.19 -4.10 117.00 121.64 1mrh n LEU 38 Ca -0.00 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1mrh n LEU 38 Cb 0.44 -1.27 0.17 0.00 -2.33 0.00 0.00 43.42 40.43 1mrh n LEU 38 CO 0.55 -2.32 0.50 1.55 -1.33 0.00 0.00 177.39 176.33 1mrh h PRO 39 N 0.69 0.00 -2.20 3.23 0.13 -1.93 -3.44 132.00 128.47 1mrh h PRO 39 Ca -0.45 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 1mrh h PRO 39 Cb 1.37 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.35 1mrh h PRO 39 CO 0.51 0.60 0.53 -1.54 -0.23 0.00 0.00 178.00 177.86 1mrh s SER 40 N -6.70 -0.33 0.12 1.44 1.04 -1.26 -4.76 113.70 103.25 1mrh s SER 40 Ca -0.00 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1mrh s SER 40 Cb 0.12 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1mrh s SER 40 CO 0.75 -0.60 -0.12 -0.69 0.98 0.00 0.00 173.24 173.56 1mrh s VAL 41 N -3.06 1.18 0.01 5.02 1.01 -1.26 -5.09 120.40 118.20 1mrh s VAL 41 Ca 0.06 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.33 1mrh s VAL 41 Cb -0.01 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1mrh s VAL 41 CO -0.08 -0.52 -0.11 -0.44 0.00 0.00 0.00 175.10 173.95 1mrh s SER 42 N -2.57 1.31 0.00 3.32 0.01 -1.26 -4.74 113.70 109.76 1mrh s SER 42 Ca 0.09 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1mrh s SER 42 Cb -0.03 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1mrh s SER 42 CO 0.02 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1mrh n GLY 43 N 2.37 -1.31 0.17 3.44 0.00 -1.26 -4.28 105.19 104.33 1mrh n GLY 43 Ca -0.16 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 43.90 1mrh n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrh h ALA 44 N 0.00 1.00 0.00 4.61 0.00 -1.96 -2.99 119.26 119.92 1mrh h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mrh h ALA 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mrh h ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mrh n GLY 45 N 0.26 -0.82 0.00 0.00 0.00 -1.26 -0.88 105.19 102.49 1mrh n GLY 45 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1mrh n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mrh n ARG 46 N -1.21 0.42 -4.66 1.61 0.63 -1.13 -4.84 116.66 107.48 1mrh n ARG 46 Ca 0.10 0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.74 1mrh n ARG 46 Cb 0.13 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.37 1mrh n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1mrh s TYR 47 N -2.57 2.27 -0.17 -0.14 2.02 -0.06 -1.63 117.35 117.07 1mrh s TYR 47 Ca 0.28 -1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 1mrh s TYR 47 Cb 0.20 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1mrh s TYR 47 CO 0.45 -0.50 0.13 -1.17 -1.57 0.00 0.00 175.55 172.89 1mrh s LEU 48 N 0.81 4.28 -0.33 -1.29 2.96 0.19 -4.89 118.68 120.40 1mrh s LEU 48 Ca -0.09 0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 1mrh s LEU 48 Cb -0.16 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1mrh s LEU 48 CO 0.00 0.27 0.16 -0.76 -1.32 0.00 0.00 176.35 174.70 1mrh s LEU 49 N -0.16 4.26 -0.20 -0.68 1.02 -1.26 0.32 118.68 121.98 1mrh s LEU 49 Ca 0.11 -0.66 -0.16 0.00 0.02 0.00 0.00 54.13 53.44 1mrh s LEU 49 Cb -0.11 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1mrh s LEU 49 CO 0.00 -0.24 0.39 -0.04 0.02 0.00 0.00 176.35 176.48 1mrh s MET 50 N 1.59 4.17 -0.32 1.70 -1.94 0.14 -2.49 119.30 122.15 1mrh s MET 50 Ca 0.04 0.18 -0.16 0.00 -1.71 0.00 0.00 55.69 54.04 1mrh s MET 50 Cb -0.18 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1mrh s MET 50 CO 0.06 -0.03 0.39 -1.01 -0.01 0.00 0.00 175.02 174.42 1mrh s HIS 51 N 1.28 3.22 -0.18 -0.03 0.09 0.51 0.02 115.29 120.21 1mrh s HIS 51 Ca 0.19 0.16 -0.00 0.00 -0.00 0.00 0.00 55.06 55.40 1mrh s HIS 51 Cb -0.15 -2.68 0.00 0.00 -0.00 0.00 0.00 32.58 29.76 1mrh s HIS 51 CO 0.08 -0.38 -0.14 -0.51 -0.00 0.00 0.00 174.74 173.79 1mrh s LEU 52 N 2.10 2.48 -0.13 0.89 1.02 -0.49 -0.94 118.68 123.60 1mrh s LEU 52 Ca 0.14 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.76 1mrh s LEU 52 Cb -0.16 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 1mrh s LEU 52 CO 0.11 0.04 -0.04 -0.36 0.02 0.00 0.00 176.35 176.12 1mrh s PHE 53 N 1.09 3.02 0.24 0.29 0.40 -0.30 -2.07 117.98 120.66 1mrh s PHE 53 Ca 0.00 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1mrh s PHE 53 Cb -0.14 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.55 1mrh s PHE 53 CO -0.04 0.09 0.33 0.27 0.70 0.00 0.00 175.22 176.57 1mrh n ASN 54 N 3.13 0.09 -0.06 1.36 6.94 -0.17 -1.57 115.26 124.98 1mrh n ASN 54 Ca -0.18 -1.16 -0.06 0.00 -0.02 0.00 0.00 54.58 53.16 1mrh n ASN 54 Cb 0.53 -0.25 0.13 0.00 -2.36 0.00 0.00 39.78 37.83 1mrh n ASN 54 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1mrh h ARG 55 N 0.00 0.70 0.00 -3.83 3.08 -1.89 -1.46 114.38 110.98 1mrh h ARG 55 Ca -0.11 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1mrh h ARG 55 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1mrh h ARG 55 CO 0.08 0.84 0.00 -0.25 -1.07 0.00 0.00 179.97 179.57 1mrh n ASP 56 N -4.14 0.00 0.00 7.04 8.00 -1.26 -4.69 116.55 121.50 1mrh n ASP 56 Ca 0.01 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1mrh n ASP 56 Cb 0.40 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1mrh n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mrh n GLY 57 N 1.04 0.84 3.79 0.44 0.00 -0.55 -5.05 105.19 105.70 1mrh n GLY 57 Ca 0.10 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1mrh n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrh s LYS 58 N -0.56 4.46 -0.02 1.61 -0.14 -1.26 -4.77 119.74 119.06 1mrh s LYS 58 Ca 0.00 1.19 0.04 0.00 -1.36 0.00 0.00 55.97 55.84 1mrh s LYS 58 Cb 0.00 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 1mrh s LYS 58 CO 0.00 0.26 -0.14 -0.08 -0.76 0.00 0.00 175.35 174.63 1mrh s THR 59 N -1.67 1.14 -0.08 2.17 -1.32 -1.26 -1.00 115.64 113.62 1mrh s THR 59 Ca 0.50 -0.60 -0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1mrh s THR 59 Cb -0.17 -0.97 -0.03 0.00 -1.51 0.00 0.00 72.50 69.82 1mrh s THR 59 CO 0.22 0.33 -0.03 0.27 -2.21 0.00 0.00 174.62 173.20 1mrh s ILE 60 N -0.19 4.08 -0.25 5.08 -4.36 -0.88 -4.57 121.20 120.11 1mrh s ILE 60 Ca 0.03 -0.34 -0.17 0.00 -0.26 0.00 0.00 60.65 59.91 1mrh s ILE 60 Cb -0.07 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1mrh s ILE 60 CO 0.00 0.60 0.45 -0.89 0.24 0.00 0.00 174.94 175.34 1mrh s THR 61 N -0.83 5.13 0.00 8.37 2.01 -1.14 -1.40 115.64 127.79 1mrh s THR 61 Ca 0.13 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 1mrh s THR 61 Cb -0.11 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1mrh s THR 61 CO 0.02 0.14 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1mrh s VAL 62 N 2.01 5.37 -0.15 3.82 1.01 0.10 -1.54 120.40 131.03 1mrh s VAL 62 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1mrh s VAL 62 Cb -0.16 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1mrh s VAL 62 CO 0.09 0.29 -0.13 0.00 0.00 0.00 0.00 175.10 175.35 1mrh s ALA 63 N -1.35 2.56 -0.10 5.51 0.00 -0.76 0.26 121.76 127.88 1mrh s ALA 63 Ca 0.28 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1mrh s ALA 63 Cb -0.13 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1mrh s ALA 63 CO 0.20 0.00 -0.23 0.08 0.00 0.00 0.00 175.76 175.81 1mrh s VAL 64 N 0.76 2.00 -0.13 0.00 1.01 0.15 -0.99 120.40 123.20 1mrh s VAL 64 Ca -0.06 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1mrh s VAL 64 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1mrh s VAL 64 CO 0.01 0.55 1.46 -0.62 0.00 0.00 0.00 175.10 176.50 1mrh s ASP 65 N 0.43 6.76 0.00 3.32 -1.08 0.26 0.53 116.67 126.89 1mrh s ASP 65 Ca -0.17 1.89 0.22 0.00 -0.52 0.00 0.00 52.55 53.97 1mrh s ASP 65 Cb -0.18 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 39.92 1mrh s ASP 65 CO 0.07 -0.89 1.72 1.33 0.52 0.00 0.00 175.17 177.92 1mrh n VAL 66 N 5.56 0.25 0.06 1.11 0.24 -0.64 -0.09 118.33 124.81 1mrh n VAL 66 Ca 0.16 0.06 0.03 0.00 -2.04 0.00 0.00 64.34 62.55 1mrh n VAL 66 Cb 0.44 -0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 32.06 1mrh n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1mrh h THR 67 N 0.00 0.40 0.00 3.34 1.35 -1.85 -3.41 112.91 112.73 1mrh h THR 67 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1mrh h THR 67 Cb 0.16 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1mrh h THR 67 CO 0.00 0.23 0.00 -0.46 -0.25 0.00 0.00 175.52 175.04 1mrh n ASN 68 N -2.86 0.00 -2.60 5.36 6.94 -1.11 -4.64 115.26 116.35 1mrh n ASN 68 Ca -0.07 -1.00 -0.20 0.00 -0.02 0.00 0.00 54.58 53.30 1mrh n ASN 68 Cb 0.76 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.21 1mrh n ASN 68 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1mrh n VAL 69 N 0.00 -1.62 -3.36 3.53 0.31 0.87 -4.99 118.33 113.07 1mrh n VAL 69 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1mrh n VAL 69 Cb 0.35 -3.14 -0.07 0.00 -0.91 0.00 0.00 33.84 30.07 1mrh n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1mrh s TYR 70 N -3.08 3.38 0.08 3.52 1.51 -1.15 -4.80 117.35 116.81 1mrh s TYR 70 Ca 0.22 0.65 -0.31 0.00 -1.01 0.00 0.00 57.07 56.62 1mrh s TYR 70 Cb -0.10 -2.55 -0.08 0.00 -0.11 0.00 0.00 41.96 39.12 1mrh s TYR 70 CO 0.27 -0.02 1.57 0.42 -1.11 0.00 0.00 175.55 176.68 1mrh s ILE 71 N 1.34 3.11 -0.24 2.71 -1.09 -1.26 -0.57 121.20 125.20 1mrh s ILE 71 Ca 0.20 0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 59.09 1mrh s ILE 71 Cb -0.15 -3.40 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 1mrh s ILE 71 CO 0.08 0.01 -0.34 0.23 -1.23 0.00 0.00 174.94 173.69 1mrh n MET 72 N 5.13 0.56 0.00 2.79 2.81 -0.16 -4.96 117.12 123.29 1mrh n MET 72 Ca 0.15 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1mrh n MET 72 Cb 0.41 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1mrh n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mrh n GLY 73 N 1.34 1.52 3.70 3.03 0.00 -1.26 -2.05 105.19 111.48 1mrh n GLY 73 Ca -0.37 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 1mrh n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mrh s TYR 74 N -1.99 0.43 -0.07 1.61 1.13 0.70 -1.83 117.35 117.33 1mrh s TYR 74 Ca 0.00 -0.95 0.02 0.00 -1.41 0.00 0.00 57.07 54.73 1mrh s TYR 74 Cb 0.00 0.52 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 1mrh s TYR 74 CO 0.00 -1.41 -0.13 -1.17 -2.51 0.00 0.00 175.55 170.33 1mrh s LEU 75 N -3.12 1.66 -0.22 -3.49 2.96 -0.59 -0.36 118.68 115.53 1mrh s LEU 75 Ca 0.20 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1mrh s LEU 75 Cb -0.04 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.82 1mrh s LEU 75 CO 0.14 0.04 -0.15 0.00 -1.32 0.00 0.00 176.35 175.06 1mrh s ALA 76 N 0.68 2.47 0.00 5.97 0.00 -0.02 -2.88 121.76 127.99 1mrh s ALA 76 Ca -0.14 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1mrh s ALA 76 Cb -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1mrh s ALA 76 CO 0.04 -0.70 0.00 -0.40 0.00 0.00 0.00 175.76 174.70 1mrh n ASP 77 N 4.57 0.00 -0.46 0.00 5.75 -1.26 -1.20 116.55 123.95 1mrh n ASP 77 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.67 1mrh n ASP 77 Cb 0.47 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 1mrh n ASP 77 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mrh n THR 78 N 0.00 0.00 -4.46 2.12 -2.24 -1.26 -4.91 114.28 103.54 1mrh n THR 78 Ca 0.00 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1mrh n THR 78 Cb 0.00 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 1mrh n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mrh s THR 79 N -1.39 3.61 0.06 4.28 2.01 -0.34 0.77 115.64 124.65 1mrh s THR 79 Ca 0.14 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1mrh s THR 79 Cb 0.11 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1mrh s THR 79 CO 0.25 0.38 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.48 1mrh s SER 80 N -1.45 4.12 -0.03 3.53 1.04 -0.59 -0.84 113.70 119.49 1mrh s SER 80 Ca 0.17 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.27 1mrh s SER 80 Cb -0.11 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.25 1mrh s SER 80 CO 0.08 0.23 -0.17 -0.31 0.98 0.00 0.00 173.24 174.04 1mrh s TYR 81 N -1.04 1.66 0.20 5.02 1.51 0.51 -0.59 117.35 124.62 1mrh s TYR 81 Ca 0.17 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1mrh s TYR 81 Cb -0.11 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1mrh s TYR 81 CO 0.08 -0.11 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.22 1mrh s PHE 82 N -0.14 1.62 0.76 2.71 0.40 -0.86 -0.21 117.98 122.26 1mrh s PHE 82 Ca 0.00 -0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1mrh s PHE 82 Cb -0.10 -0.78 0.05 0.00 0.51 0.00 0.00 43.02 42.70 1mrh s PHE 82 CO 0.01 0.29 1.08 -0.06 0.70 0.00 0.00 175.22 177.24 1mrh s PHE 83 N -3.06 2.90 -1.13 0.36 0.08 -0.87 -1.32 117.98 114.95 1mrh s PHE 83 Ca 0.22 1.31 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 1mrh s PHE 83 Cb 0.00 -3.01 0.21 0.00 -0.57 0.00 0.00 43.02 39.65 1mrh s PHE 83 CO 0.06 -1.58 1.24 1.21 -0.10 0.00 0.00 175.22 176.05 1mrh s ASN 84 N -3.79 7.12 -0.14 1.36 2.47 0.26 -4.54 114.94 117.68 1mrh s ASN 84 Ca 0.60 -3.15 -0.30 0.00 0.42 0.00 0.00 52.86 50.44 1mrh s ASN 84 Cb -0.15 -2.31 0.11 0.00 -1.45 0.00 0.00 41.25 37.45 1mrh s ASN 84 CO 0.55 -0.58 0.89 -1.83 -3.72 0.00 0.00 177.10 172.42 1mrh s GLU 85 N 0.44 0.74 0.17 0.43 -1.05 -1.26 -3.67 118.70 114.50 1mrh s GLU 85 Ca 0.36 0.26 -0.14 0.00 -0.15 0.00 0.00 54.97 55.30 1mrh s GLU 85 Cb -0.06 0.35 0.12 0.00 -0.44 0.00 0.00 34.13 34.09 1mrh s GLU 85 CO -0.04 -0.21 1.77 -1.35 0.95 0.00 0.00 175.26 176.37 1mrh h PRO 86 N 2.95 0.38 -0.79 -4.83 0.11 -1.99 0.77 132.00 128.61 1mrh h PRO 86 Ca -0.22 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.99 1mrh h PRO 86 Cb 1.16 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1mrh h PRO 86 CO 0.30 0.25 0.52 0.00 -0.21 0.00 0.00 178.00 178.87 1mrh h ALA 87 N 1.27 1.92 -0.01 -0.75 0.00 -1.98 0.30 119.26 120.00 1mrh h ALA 87 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1mrh h ALA 87 Cb 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mrh h ALA 87 CO -0.17 -0.11 -0.98 0.00 0.00 0.00 0.00 179.25 177.98 1mrh h ALA 88 N 1.62 0.26 -0.49 0.00 0.00 -1.20 -0.10 119.26 119.35 1mrh h ALA 88 Ca 0.38 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1mrh h ALA 88 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1mrh h ALA 88 CO -0.15 0.75 -0.00 1.49 0.00 0.00 0.00 179.25 181.34 1mrh h GLU 89 N 0.32 0.82 -0.33 0.00 4.57 0.09 -1.85 114.58 118.20 1mrh h GLU 89 Ca -0.10 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1mrh h GLU 89 Cb 1.62 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 1mrh h GLU 89 CO 0.18 0.83 0.11 1.25 -1.18 0.00 0.00 179.01 180.20 1mrh h LEU 90 N 0.77 0.47 -0.63 1.64 7.12 -0.26 -3.00 115.31 121.41 1mrh h LEU 90 Ca 0.15 -0.19 0.10 0.00 0.13 0.00 0.00 57.88 58.07 1mrh h LEU 90 Cb 0.47 -0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 40.40 1mrh h LEU 90 CO 0.02 0.54 0.23 0.00 -0.13 0.00 0.00 178.44 179.10 1mrh h ALA 91 N 0.95 0.82 0.00 1.25 0.00 -0.78 0.21 119.26 121.72 1mrh h ALA 91 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mrh h ALA 91 Cb 0.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mrh h ALA 91 CO -0.01 -0.20 0.44 0.66 0.00 0.00 0.00 179.25 180.14 1mrh h SER 92 N 0.40 0.00 1.13 0.00 4.64 -1.19 0.20 113.55 118.73 1mrh h SER 92 Ca 0.32 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 1mrh h SER 92 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1mrh h SER 92 CO -0.33 0.00 -0.59 1.56 -0.87 0.00 0.00 176.83 176.60 1mrh h GLN 93 N 0.00 0.00 0.00 4.77 4.20 -0.63 -3.38 115.11 120.07 1mrh h GLN 93 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1mrh h GLN 93 Cb 0.88 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1mrh h GLN 93 CO 0.00 0.59 -1.54 0.66 -0.67 0.00 0.00 178.83 177.87 1mrh n TYR 94 N -3.38 0.00 -4.26 2.96 4.01 0.60 -4.99 117.16 112.10 1mrh n TYR 94 Ca 0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.49 1mrh n TYR 94 Cb 0.71 -0.34 -0.08 0.00 -0.31 0.00 0.00 39.34 39.31 1mrh n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1mrh s VAL 95 N -2.45 3.41 -1.41 -0.72 -7.23 -0.64 -4.75 120.40 106.61 1mrh s VAL 95 Ca -0.04 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1mrh s VAL 95 Cb 0.04 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1mrh s VAL 95 CO 0.39 -0.15 0.58 0.49 -0.31 0.00 0.00 175.10 176.10 1mrh n PHE 96 N -0.15 -1.79 0.68 2.82 3.72 -1.26 -4.72 117.46 116.77 1mrh n PHE 96 Ca -0.10 0.79 0.13 0.00 -0.05 0.00 0.00 57.45 58.22 1mrh n PHE 96 Cb 0.56 -3.90 0.47 0.00 -0.94 0.00 0.00 39.48 35.67 1mrh n PHE 96 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1mrh n ARG 97 N -4.39 0.16 0.00 -1.08 5.12 -1.26 -2.96 116.66 112.26 1mrh n ARG 97 Ca -0.25 0.19 0.11 0.00 -1.93 0.00 0.00 57.85 55.98 1mrh n ARG 97 Cb 0.66 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 30.30 1mrh n ARG 97 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1mrh n ASP 98 N -2.00 1.58 -4.75 0.55 5.75 -1.26 -4.92 116.55 111.50 1mrh n ASP 98 Ca 0.05 -1.24 -0.37 0.00 -0.01 0.00 0.00 54.79 53.22 1mrh n ASP 98 Cb 0.36 0.51 0.04 0.00 -1.03 0.00 0.00 41.12 40.99 1mrh n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mrh s ALA 99 N -2.61 2.63 -0.88 2.12 0.00 -1.15 -4.92 121.76 116.94 1mrh s ALA 99 Ca 0.17 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.35 1mrh s ALA 99 Cb 0.18 -3.49 0.53 0.00 0.00 0.00 0.00 23.12 20.34 1mrh s ALA 99 CO 0.63 -1.23 1.36 0.54 0.00 0.00 0.00 175.76 177.06 1mrh n ARG 100 N -1.39 3.28 0.00 0.00 1.74 0.23 -4.82 116.66 115.70 1mrh n ARG 100 Ca 0.13 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 1mrh n ARG 100 Cb 0.48 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1mrh n ARG 100 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1mrh n ARG 101 N 0.57 0.00 -3.76 5.56 0.63 -1.21 -4.98 116.66 113.48 1mrh n ARG 101 Ca 0.18 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.88 1mrh n ARG 101 Cb 0.78 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.51 1mrh n ARG 101 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mrh s LYS 102 N -1.26 0.59 -0.08 -0.14 2.20 -1.26 -1.54 119.74 118.25 1mrh s LYS 102 Ca 0.00 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1mrh s LYS 102 Cb 0.00 -1.09 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 1mrh s LYS 102 CO 0.00 -0.34 -0.07 0.42 -0.36 0.00 0.00 175.35 175.00 1mrh s ILE 103 N 1.97 3.68 -0.23 5.43 1.01 0.25 -4.96 121.20 128.35 1mrh s ILE 103 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1mrh s ILE 103 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1mrh s ILE 103 CO -0.06 0.59 0.09 -0.89 0.00 0.00 0.00 174.94 174.67 1mrh s THR 104 N -0.64 4.73 0.67 2.92 2.01 -1.26 -2.03 115.64 122.04 1mrh s THR 104 Ca 0.10 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 1mrh s THR 104 Cb -0.11 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.21 1mrh s THR 104 CO 0.02 0.37 1.15 -0.76 -0.69 0.00 0.00 174.62 174.70 1mrh s LEU 105 N 1.15 3.41 0.00 4.42 1.43 -0.43 -4.85 118.68 123.80 1mrh s LEU 105 Ca 0.05 2.16 0.16 0.00 -1.03 0.00 0.00 54.13 55.47 1mrh s LEU 105 Cb -0.14 -4.57 0.94 0.00 0.03 0.00 0.00 46.19 42.45 1mrh s LEU 105 CO 0.04 -1.81 1.36 -0.81 0.23 0.00 0.00 176.35 175.35 1mrh n PRO 106 N -2.38 0.56 -4.23 1.29 -0.04 -1.26 -3.86 135.00 125.08 1mrh n PRO 106 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1mrh n PRO 106 Cb 0.51 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1mrh n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1mrh s TYR 107 N -2.00 1.15 0.89 0.54 -0.85 -1.26 -4.92 117.35 110.90 1mrh s TYR 107 Ca 0.24 -0.99 -0.14 0.00 -0.52 0.00 0.00 57.07 55.65 1mrh s TYR 107 Cb 0.11 -0.65 0.15 0.00 0.38 0.00 0.00 41.96 41.95 1mrh s TYR 107 CO 0.18 -0.20 1.25 -1.54 -1.52 0.00 0.00 175.55 173.73 1mrh s SER 108 N -3.15 3.69 -0.26 -0.18 1.04 -1.24 0.93 113.70 114.54 1mrh s SER 108 Ca 0.21 0.42 0.13 0.00 0.48 0.00 0.00 55.95 57.20 1mrh s SER 108 Cb 0.06 -0.65 0.79 0.00 0.10 0.00 0.00 66.02 66.32 1mrh s SER 108 CO 0.02 -2.38 1.75 0.61 0.98 0.00 0.00 173.24 174.22 1mrh n GLY 109 N -3.55 3.24 3.96 7.32 0.00 -1.26 -4.42 105.19 110.48 1mrh n GLY 109 Ca 0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1mrh n GLY 109 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mrh s ASP 110 N -0.92 5.84 0.12 1.61 1.47 -1.26 -4.96 116.67 118.57 1mrh s ASP 110 Ca 0.54 0.15 -0.15 0.00 1.18 0.00 0.00 52.55 54.27 1mrh s ASP 110 Cb 0.42 -1.42 -0.03 0.00 -0.34 0.00 0.00 42.92 41.56 1mrh s ASP 110 CO 0.15 -0.66 1.56 1.88 0.68 0.00 0.00 175.17 178.78 1mrh h TYR 111 N 0.51 0.76 -0.73 2.11 0.05 -1.99 -2.34 116.97 115.34 1mrh h TYR 111 Ca -0.46 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.18 1mrh h TYR 111 Cb 1.26 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 1mrh h TYR 111 CO 0.44 0.78 0.42 1.49 -1.05 0.00 0.00 178.16 180.24 1mrh h GLU 112 N 0.51 1.00 -0.02 4.88 4.81 -1.97 -0.59 114.58 123.20 1mrh h GLU 112 Ca 0.11 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1mrh h GLU 112 Cb 0.48 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1mrh h GLU 112 CO 0.02 0.72 -0.65 0.00 -0.73 0.00 0.00 179.01 178.37 1mrh h ARG 113 N 1.01 0.47 -0.25 1.92 2.47 -1.87 -2.52 114.38 115.61 1mrh h ARG 113 Ca 0.26 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1mrh h ARG 113 Cb -0.00 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1mrh h ARG 113 CO -0.05 1.13 0.17 -0.07 0.56 0.00 0.00 179.97 181.71 1mrh h LEU 114 N 0.01 0.28 0.01 3.04 3.38 -1.23 0.83 115.31 121.63 1mrh h LEU 114 Ca -0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1mrh h LEU 114 Cb 1.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1mrh h LEU 114 CO 0.13 0.20 -0.16 1.56 0.09 0.00 0.00 178.44 180.27 1mrh h GLN 115 N 0.33 0.09 -0.64 1.13 4.20 -1.07 -1.58 115.11 117.57 1mrh h GLN 115 Ca 0.09 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1mrh h GLN 115 Cb -0.03 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.67 1mrh h GLN 115 CO -0.02 0.92 -0.35 0.82 -0.67 0.00 0.00 178.83 179.54 1mrh h ILE 116 N -0.70 0.15 -0.28 2.54 2.04 -1.39 0.48 117.51 120.34 1mrh h ILE 116 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1mrh h ILE 116 Cb 0.98 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1mrh h ILE 116 CO 0.03 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.37 1mrh h ALA 117 N 1.02 1.93 0.00 1.87 0.00 -0.82 -3.01 119.26 120.26 1mrh h ALA 117 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1mrh h ALA 117 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1mrh h ALA 117 CO -0.71 0.03 -1.38 0.00 0.00 0.00 0.00 179.25 177.19 1mrh n ALA 118 N -2.52 2.92 0.00 0.00 0.00 0.70 -4.76 120.51 116.84 1mrh n ALA 118 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1mrh n ALA 118 Cb 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1mrh n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mrh n GLY 119 N 1.27 2.93 3.47 0.00 0.00 0.13 -4.94 105.19 108.05 1mrh n GLY 119 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1mrh n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrh s LYS 120 N -0.29 2.52 0.76 1.61 1.02 -1.24 -4.99 119.74 119.13 1mrh s LYS 120 Ca 0.00 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1mrh s LYS 120 Cb 0.00 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 34.99 1mrh s LYS 120 CO 0.00 0.61 1.08 -1.25 -0.92 0.00 0.00 175.35 174.87 1mrh s PRO 121 N -0.69 2.34 0.45 -1.68 0.04 -1.26 -4.61 135.00 129.59 1mrh s PRO 121 Ca 0.11 1.02 0.17 0.00 0.04 0.00 0.00 61.00 62.33 1mrh s PRO 121 Cb -0.11 -1.92 1.11 0.00 0.04 0.00 0.00 34.50 33.63 1mrh s PRO 121 CO 0.01 -1.54 1.97 0.00 0.04 0.00 0.00 177.00 177.47 1mrh h ARG 122 N -1.05 0.31 0.00 4.56 3.08 -1.95 -1.57 114.38 117.77 1mrh h ARG 122 Ca -0.45 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 1mrh h ARG 122 Cb 1.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1mrh h ARG 122 CO 0.54 0.21 -0.01 0.93 -1.07 0.00 0.00 179.97 180.57 1mrh h GLU 123 N 0.32 0.00 -0.14 0.04 3.07 -1.91 -2.81 114.58 113.16 1mrh h GLU 123 Ca 0.29 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.11 1mrh h GLU 123 Cb 0.71 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1mrh h GLU 123 CO -0.07 0.01 -0.16 1.63 -1.40 0.00 0.00 179.01 179.01 1mrh n LYS 124 N -3.17 1.80 -4.08 2.33 5.02 -0.59 -4.51 118.16 114.96 1mrh n LYS 124 Ca -0.02 -2.99 -0.33 0.00 -2.02 0.00 0.00 58.31 52.95 1mrh n LYS 124 Cb 0.12 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 1mrh n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mrh s ILE 125 N -3.07 2.20 0.23 -0.18 1.01 -1.06 -4.95 121.20 115.37 1mrh s ILE 125 Ca 0.39 -1.35 -0.32 0.00 0.00 0.00 0.00 60.65 59.37 1mrh s ILE 125 Cb 0.35 -2.16 -0.14 0.00 0.01 0.00 0.00 42.46 40.53 1mrh s ILE 125 CO 0.00 0.18 1.40 -2.65 0.00 0.00 0.00 174.94 173.88 1mrh n PRO 126 N 4.51 1.98 -4.44 2.79 -0.02 -1.26 -4.14 135.00 134.43 1mrh n PRO 126 Ca -0.17 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 61.78 1mrh n PRO 126 Cb 0.45 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 1mrh n PRO 126 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1mrh s ILE 127 N 0.00 2.36 -3.29 4.25 -4.36 -0.85 -4.73 121.20 114.58 1mrh s ILE 127 Ca 0.69 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1mrh s ILE 127 Cb -0.67 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1mrh s ILE 127 CO 0.49 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.96 1mrh n GLY 128 N -0.27 -1.75 0.15 6.27 0.00 -1.26 -1.39 105.19 106.93 1mrh n GLY 128 Ca -0.08 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.83 1mrh n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mrh h LEU 129 N 0.00 0.00 -0.35 0.99 3.38 -1.65 -2.76 115.31 114.92 1mrh h LEU 129 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1mrh h LEU 129 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mrh h LEU 129 CO 0.00 0.49 -0.27 -0.65 0.09 0.00 0.00 178.44 178.10 1mrh h PRO 130 N 0.00 0.80 -0.56 1.13 0.11 -1.78 -3.05 132.00 128.65 1mrh h PRO 130 Ca -0.00 -0.39 0.06 0.00 0.11 0.00 0.00 66.00 65.77 1mrh h PRO 130 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1mrh h PRO 130 CO 0.06 1.02 0.26 0.00 -0.21 0.00 0.00 178.00 179.14 1mrh h ALA 131 N 0.76 0.72 -0.43 -0.75 0.00 -1.89 -1.67 119.26 116.00 1mrh h ALA 131 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mrh h ALA 131 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1mrh h ALA 131 CO 0.07 -0.10 0.28 1.25 0.00 0.00 0.00 179.25 180.75 1mrh h LEU 132 N 0.50 0.50 -0.20 0.00 5.85 -1.53 0.62 115.31 121.05 1mrh h LEU 132 Ca 0.26 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1mrh h LEU 132 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1mrh h LEU 132 CO -0.20 0.37 -0.30 -0.78 -0.34 0.00 0.00 178.44 177.19 1mrh h ASP 133 N 0.59 0.60 0.23 1.25 3.58 -1.26 0.79 116.42 122.21 1mrh h ASP 133 Ca 0.16 -0.52 0.01 0.00 0.42 0.00 0.00 57.03 57.10 1mrh h ASP 133 Cb -0.05 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1mrh h ASP 133 CO -0.03 1.01 -0.41 -1.28 -2.88 0.00 0.00 179.24 175.64 1mrh h SER 134 N 0.22 -1.18 -0.64 2.28 0.87 -0.62 -2.42 113.55 112.06 1mrh h SER 134 Ca 0.02 0.12 0.13 0.00 -1.23 0.00 0.00 61.79 60.83 1mrh h SER 134 Cb 0.88 0.43 -0.10 0.00 -0.44 0.00 0.00 62.40 63.17 1mrh h SER 134 CO 0.07 -0.51 0.09 0.00 -0.53 0.00 0.00 176.83 175.94 1mrh h ALA 135 N -0.29 0.72 -0.80 6.23 0.00 0.46 0.36 119.26 125.93 1mrh h ALA 135 Ca -0.00 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1mrh h ALA 135 Cb 0.70 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1mrh h ALA 135 CO -0.17 -0.35 0.53 0.82 0.00 0.00 0.00 179.25 180.07 1mrh h ILE 136 N 0.20 1.11 -0.06 0.00 2.04 -0.70 -2.02 117.51 118.08 1mrh h ILE 136 Ca 0.34 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1mrh h ILE 136 Cb 0.55 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1mrh h ILE 136 CO -0.48 0.18 -0.64 0.28 0.00 0.00 0.00 178.15 177.49 1mrh h SER 137 N 0.97 0.66 -0.49 1.72 0.02 0.15 -2.67 113.55 113.91 1mrh h SER 137 Ca 0.32 -0.70 0.10 0.00 -0.84 0.00 0.00 61.79 60.68 1mrh h SER 137 Cb 0.08 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.32 1mrh h SER 137 CO -0.10 1.26 -0.17 0.74 -1.14 0.00 0.00 176.83 177.43 1mrh h THR 138 N 0.12 0.43 0.00 -2.27 2.02 -1.08 -3.04 112.91 109.10 1mrh h THR 138 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1mrh h THR 138 Cb 1.31 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1mrh h THR 138 CO 0.13 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.92 1mrh h LEU 139 N -0.05 0.00 -1.35 2.58 3.38 -1.04 -1.59 115.31 117.24 1mrh h LEU 139 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1mrh h LEU 139 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1mrh h LEU 139 CO -0.53 0.03 -0.07 -0.07 0.09 0.00 0.00 178.44 177.89 1mrh h LEU 140 N 0.00 0.00 -7.67 1.67 3.38 -1.37 -3.41 115.31 107.90 1mrh h LEU 140 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1mrh h LEU 140 Cb 0.25 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.66 1mrh h LEU 140 CO 0.00 0.07 -0.75 -1.38 0.09 0.00 0.00 178.44 176.47 1mrh s HIS 141 N -3.68 0.44 0.08 1.13 -3.43 -0.60 -4.91 115.29 104.32 1mrh s HIS 141 Ca 0.01 -0.06 -0.31 0.00 -0.80 0.00 0.00 55.06 53.90 1mrh s HIS 141 Cb 0.09 -0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 30.69 1mrh s HIS 141 CO 0.57 -0.13 1.87 -0.47 -2.00 0.00 0.00 174.74 174.58 1mrh s TYR 142 N 0.86 1.81 -0.27 0.38 5.04 -1.26 -4.91 117.35 119.01 1mrh s TYR 142 Ca -0.10 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1mrh s TYR 142 Cb -0.13 -4.18 0.15 0.00 0.35 0.00 0.00 41.96 38.15 1mrh s TYR 142 CO -0.01 -5.05 0.50 0.34 -1.34 0.00 0.00 175.55 169.99 1mrh s ASP 143 N 3.40 -0.61 0.50 4.32 -1.08 -1.26 -5.07 116.67 116.87 1mrh s ASP 143 Ca 0.83 0.70 0.28 0.00 -0.52 0.00 0.00 52.55 53.85 1mrh s ASP 143 Cb -0.44 1.68 1.23 0.00 -1.46 0.00 0.00 42.92 43.93 1mrh s ASP 143 CO 0.38 -0.27 1.95 0.77 0.52 0.00 0.00 175.17 178.52 1mrh h SER 144 N 8.09 0.00 0.14 -0.34 4.64 -1.99 0.14 113.55 124.23 1mrh h SER 144 Ca -0.20 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.86 1mrh h SER 144 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1mrh h SER 144 CO 0.24 0.13 -1.25 0.74 -0.87 0.00 0.00 176.83 175.82 1mrh h THR 145 N 0.00 1.20 -0.68 2.95 2.02 -1.98 -2.85 112.91 113.57 1mrh h THR 145 Ca -0.00 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 1mrh h THR 145 Cb 0.56 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 1mrh h THR 145 CO 0.02 0.73 0.35 0.00 0.37 0.00 0.00 175.52 176.98 1mrh h ALA 146 N 0.02 1.33 -0.32 6.16 0.00 -1.60 -2.75 119.26 122.10 1mrh h ALA 146 Ca -0.25 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1mrh h ALA 146 Cb 1.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1mrh h ALA 146 CO 0.11 0.53 -0.20 0.00 0.00 0.00 0.00 179.25 179.70 1mrh h ALA 147 N 1.42 1.06 -0.92 0.00 0.00 -0.84 -1.79 119.26 118.20 1mrh h ALA 147 Ca 0.24 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mrh h ALA 147 Cb 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1mrh h ALA 147 CO -0.03 0.57 0.61 0.00 0.00 0.00 0.00 179.25 180.39 1mrh h ALA 148 N 1.26 1.18 -0.22 0.00 0.00 -1.24 0.44 119.26 120.67 1mrh h ALA 148 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1mrh h ALA 148 Cb 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mrh h ALA 148 CO 0.04 0.54 -0.14 0.78 0.00 0.00 0.00 179.25 180.48 1mrh h GLY 149 N 1.22 0.53 1.75 0.00 0.00 -1.35 -1.79 103.07 103.43 1mrh h GLY 149 Ca 0.35 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1mrh h GLY 149 CO -0.09 0.45 -0.27 0.00 0.00 0.00 0.00 176.54 176.64 1mrh h ALA 150 N 0.70 1.26 -0.19 3.60 0.00 -0.84 -2.93 119.26 120.85 1mrh h ALA 150 Ca 0.05 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1mrh h ALA 150 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1mrh h ALA 150 CO 0.04 0.49 -0.61 -0.07 0.00 0.00 0.00 179.25 179.10 1mrh h LEU 151 N 0.26 0.75 -1.41 0.00 3.38 0.07 -0.11 115.31 118.25 1mrh h LEU 151 Ca 0.04 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1mrh h LEU 151 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1mrh h LEU 151 CO 0.04 1.18 0.43 -0.07 0.09 0.00 0.00 178.44 180.12 1mrh h LEU 152 N 0.49 0.66 -0.12 1.67 3.38 -1.26 0.23 115.31 120.37 1mrh h LEU 152 Ca -0.01 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1mrh h LEU 152 Cb 1.19 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1mrh h LEU 152 CO 0.12 0.45 -0.90 0.58 0.09 0.00 0.00 178.44 178.78 1mrh h VAL 153 N 0.76 1.30 -0.24 1.22 2.07 -1.40 -3.21 116.25 116.76 1mrh h VAL 153 Ca 0.27 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 1mrh h VAL 153 Cb 0.11 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1mrh h VAL 153 CO -0.08 0.67 -0.00 0.25 0.02 0.00 0.00 177.57 178.43 1mrh h LEU 154 N 0.42 0.42 0.43 2.57 5.85 0.10 -1.78 115.31 123.32 1mrh h LEU 154 Ca -0.08 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1mrh h LEU 154 Cb 1.54 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1mrh h LEU 154 CO 0.18 0.63 -0.25 0.40 -0.34 0.00 0.00 178.44 179.05 1mrh h ILE 155 N 0.20 0.47 -0.58 4.05 2.04 -0.78 -2.72 117.51 120.18 1mrh h ILE 155 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1mrh h ILE 155 Cb 0.41 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1mrh h ILE 155 CO 0.01 0.00 0.39 1.56 0.00 0.00 0.00 178.15 180.11 1mrh h GLN 156 N -0.65 0.51 0.00 2.37 4.20 -1.54 0.17 115.11 120.17 1mrh h GLN 156 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1mrh h GLN 156 Cb 0.53 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1mrh h GLN 156 CO 0.06 0.34 -0.60 0.25 -0.67 0.00 0.00 178.83 178.20 1mrh n THR 157 N -4.48 0.01 -0.01 -0.54 -2.24 -0.68 -3.53 114.28 102.82 1mrh n THR 157 Ca 0.08 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1mrh n THR 157 Cb 0.26 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1mrh n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mrh n THR 158 N -1.53 1.02 -0.02 4.28 -2.24 -1.01 -4.65 114.28 110.13 1mrh n THR 158 Ca 0.05 0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.95 1mrh n THR 158 Cb 0.34 -1.75 -0.10 0.00 -2.10 0.00 0.00 70.33 66.72 1mrh n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mrh h ALA 159 N -0.54 0.10 0.00 6.98 0.00 -0.87 -1.47 119.26 123.46 1mrh h ALA 159 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1mrh h ALA 159 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1mrh h ALA 159 CO 0.00 0.22 -0.41 0.93 0.00 0.00 0.00 179.25 179.99 1mrh h GLU 160 N -0.19 0.00 -0.00 0.00 4.39 -1.65 -2.24 114.58 114.89 1mrh h GLU 160 Ca -0.04 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1mrh h GLU 160 Cb 1.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1mrh h GLU 160 CO 0.08 0.41 -0.81 0.00 -1.16 0.00 0.00 179.01 177.53 1mrh h ALA 161 N 1.59 0.65 -0.40 3.43 0.00 -1.58 -2.07 119.26 120.88 1mrh h ALA 161 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1mrh h ALA 161 Cb 0.79 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mrh h ALA 161 CO 0.05 0.95 0.21 0.00 0.00 0.00 0.00 179.25 180.46 1mrh h ALA 162 N 1.13 0.52 -0.22 0.00 0.00 -1.07 -3.29 119.26 116.32 1mrh h ALA 162 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1mrh h ALA 162 Cb 1.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1mrh h ALA 162 CO 0.11 0.05 -0.54 0.00 0.00 0.00 0.00 179.25 178.88 1mrh h ARG 163 N 0.52 0.64 -4.30 0.00 3.08 -1.33 -3.42 114.38 109.57 1mrh h ARG 163 Ca 0.14 -0.40 -0.52 0.00 0.07 0.00 0.00 59.98 59.28 1mrh h ARG 163 Cb 0.07 0.04 -0.36 0.00 0.08 0.00 0.00 29.97 29.81 1mrh h ARG 163 CO -0.02 1.01 -0.80 -0.06 -1.07 0.00 0.00 179.97 179.03 1mrh s PHE 164 N -4.04 1.42 0.51 3.04 0.08 -0.79 -1.25 117.98 116.95 1mrh s PHE 164 Ca -0.08 -0.64 0.16 0.00 0.12 0.00 0.00 56.93 56.48 1mrh s PHE 164 Cb 0.11 -1.15 1.23 0.00 -0.57 0.00 0.00 43.02 42.65 1mrh s PHE 164 CO 0.85 -0.42 2.13 -0.22 -0.10 0.00 0.00 175.22 177.46 1mrh h LYS 165 N 7.77 0.06 0.16 0.44 3.64 -1.51 -2.53 116.57 124.60 1mrh h LYS 165 Ca -0.30 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1mrh h LYS 165 Cb 1.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1mrh h LYS 165 CO 0.43 0.04 -0.19 -0.92 -2.27 0.00 0.00 179.45 176.54 1mrh h TYR 166 N 0.06 -0.49 -0.39 1.91 3.20 -1.88 -1.29 116.97 118.08 1mrh h TYR 166 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1mrh h TYR 166 Cb 0.06 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1mrh h TYR 166 CO -0.00 -0.28 0.11 0.82 -1.64 0.00 0.00 178.16 177.17 1mrh h ILE 167 N -0.39 1.17 0.00 1.81 2.04 -1.75 0.93 117.51 121.32 1mrh h ILE 167 Ca 0.01 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1mrh h ILE 167 Cb 0.38 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1mrh h ILE 167 CO -0.07 0.22 -0.21 -0.08 0.00 0.00 0.00 178.15 178.01 1mrh h GLU 168 N 0.56 0.00 0.18 2.37 4.81 -1.11 -2.32 114.58 119.06 1mrh h GLU 168 Ca 0.13 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.11 1mrh h GLU 168 Cb 0.19 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.60 1mrh h GLU 168 CO -0.01 0.21 -1.11 1.96 -0.73 0.00 0.00 179.01 179.33 1mrh h GLN 169 N 0.00 0.43 -0.87 1.92 4.20 0.26 -2.93 115.11 118.13 1mrh h GLN 169 Ca -0.00 -0.71 0.21 0.00 0.06 0.00 0.00 58.65 58.21 1mrh h GLN 169 Cb 0.53 0.26 -0.12 0.00 0.30 0.00 0.00 27.48 28.45 1mrh h GLN 169 CO 0.03 1.33 0.35 1.96 -0.67 0.00 0.00 178.83 181.83 1mrh h GLN 170 N -0.09 0.36 0.00 1.46 1.08 -0.69 -1.08 115.11 116.15 1mrh h GLN 170 Ca -0.19 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 56.90 1mrh h GLN 170 Cb 1.87 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.21 1mrh h GLN 170 CO 0.21 0.24 -0.42 0.82 -0.95 0.00 0.00 178.83 178.73 1mrh h ILE 171 N 0.37 0.85 -0.22 2.54 1.08 -1.43 -2.84 117.51 117.85 1mrh h ILE 171 Ca 0.53 -1.81 -0.18 0.00 -0.39 0.00 0.00 64.86 63.01 1mrh h ILE 171 Cb 1.00 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1mrh h ILE 171 CO -0.53 0.41 -0.57 1.56 -0.69 0.00 0.00 178.15 178.33 1mrh h GLN 172 N 0.00 0.77 0.00 2.37 4.20 -1.04 -2.03 115.11 119.39 1mrh h GLN 172 Ca -0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1mrh h GLN 172 Cb 1.11 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1mrh h GLN 172 CO 0.06 1.16 0.24 0.93 -0.67 0.00 0.00 178.83 180.55 1mrh h GLU 173 N 0.51 0.00 -0.04 1.46 5.08 -1.18 -2.42 114.58 117.98 1mrh h GLU 173 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1mrh h GLU 173 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1mrh h GLU 173 CO 0.12 0.00 -0.61 0.54 -1.00 0.00 0.00 179.01 178.06 1mrh n ARG 174 N -2.31 1.42 0.25 2.33 1.74 -0.79 -4.79 116.66 114.51 1mrh n ARG 174 Ca -0.01 -3.13 0.12 0.00 -0.77 0.00 0.00 57.85 54.05 1mrh n ARG 174 Cb 0.27 -1.38 0.62 0.00 -1.02 0.00 0.00 32.46 30.95 1mrh n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mrh h ALA 175 N 1.08 1.12 0.00 7.54 0.00 -1.17 -2.33 119.26 125.50 1mrh h ALA 175 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mrh h ALA 175 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mrh h ALA 175 CO 0.06 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1mrh n TYR 176 N -3.46 0.00 -3.66 0.00 4.01 -1.26 -4.47 117.16 108.33 1mrh n TYR 176 Ca -0.01 -0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1mrh n TYR 176 Cb 0.33 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 1mrh n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1mrh s ARG 177 N -0.26 0.67 0.70 -0.72 3.52 -1.24 -4.98 118.95 116.64 1mrh s ARG 177 Ca 0.00 0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 56.53 1mrh s ARG 177 Cb 0.00 0.21 0.07 0.00 -1.56 0.00 0.00 34.95 33.66 1mrh s ARG 177 CO 0.00 -0.12 1.01 -0.51 -0.81 0.00 0.00 175.30 174.86 1mrh s ASP 178 N 1.01 4.78 -0.27 -2.12 1.01 -1.26 -4.36 116.67 115.47 1mrh s ASP 178 Ca -0.05 0.40 -0.27 0.00 0.71 0.00 0.00 52.55 53.33 1mrh s ASP 178 Cb -0.05 -1.04 0.17 0.00 1.01 0.00 0.00 42.92 43.01 1mrh s ASP 178 CO -0.09 -1.61 1.26 -0.70 0.21 0.00 0.00 175.17 174.24 1mrh s GLU 179 N -5.23 0.24 0.64 8.23 2.12 -0.49 -4.88 118.70 119.34 1mrh s GLU 179 Ca 0.60 0.16 -0.17 0.00 0.36 0.00 0.00 54.97 55.93 1mrh s GLU 179 Cb -0.10 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1mrh s GLU 179 CO 0.44 -0.05 1.16 0.14 -0.54 0.00 0.00 175.26 176.41 1mrh s VAL 180 N -0.46 2.83 0.52 3.70 -7.23 -1.26 -2.01 120.40 116.49 1mrh s VAL 180 Ca 0.05 0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 60.46 1mrh s VAL 180 Cb -0.03 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 33.81 1mrh s VAL 180 CO -0.08 -0.19 1.16 -2.16 -0.31 0.00 0.00 175.10 173.52 1mrh s PRO 181 N -3.74 3.46 0.63 4.82 0.04 -1.26 -4.80 135.00 134.15 1mrh s PRO 181 Ca 0.72 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 63.33 1mrh s PRO 181 Cb -0.26 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1mrh s PRO 181 CO 0.38 -0.78 1.08 -1.54 0.04 0.00 0.00 177.00 176.18 1mrh s SER 182 N -1.57 5.46 0.28 6.66 1.04 -1.26 -4.87 113.70 119.44 1mrh s SER 182 Ca 0.70 1.88 0.01 0.00 0.48 0.00 0.00 55.95 59.02 1mrh s SER 182 Cb -0.27 -2.54 0.66 0.00 0.10 0.00 0.00 66.02 63.97 1mrh s SER 182 CO 0.31 -1.39 1.67 -0.07 0.98 0.00 0.00 173.24 174.75 1mrh h LEU 183 N 0.18 0.13 -0.84 2.42 4.07 -1.96 0.27 115.31 119.58 1mrh h LEU 183 Ca -0.47 0.17 0.14 0.00 0.08 0.00 0.00 57.88 57.80 1mrh h LEU 183 Cb 1.23 0.20 -0.09 0.00 1.08 0.00 0.00 40.66 43.08 1mrh h LEU 183 CO 0.56 -0.07 0.43 0.00 -1.08 0.00 0.00 178.44 178.28 1mrh h ALA 184 N 1.71 1.24 0.00 1.53 0.00 -1.91 0.10 119.26 121.94 1mrh h ALA 184 Ca 0.52 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 55.30 1mrh h ALA 184 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1mrh h ALA 184 CO -0.57 -0.06 -1.06 1.79 0.00 0.00 0.00 179.25 179.35 1mrh h THR 185 N 0.64 1.47 -0.38 0.00 1.35 -0.89 -1.63 112.91 113.46 1mrh h THR 185 Ca 0.45 -3.15 -0.05 0.00 -0.55 0.00 0.00 66.41 63.11 1mrh h THR 185 Cb 0.60 2.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.72 1mrh h THR 185 CO -0.34 0.84 0.03 0.40 -0.25 0.00 0.00 175.52 176.20 1mrh h ILE 186 N 0.00 1.20 -0.19 6.82 1.08 -0.16 -1.25 117.51 125.01 1mrh h ILE 186 Ca -0.05 -0.78 -0.10 0.00 -0.39 0.00 0.00 64.86 63.54 1mrh h ILE 186 Cb 1.76 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1mrh h ILE 186 CO 0.11 0.27 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.30 1mrh h SER 187 N 0.57 0.55 -0.29 1.72 0.87 -0.71 -2.06 113.55 114.21 1mrh h SER 187 Ca 0.12 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1mrh h SER 187 Cb 0.31 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1mrh h SER 187 CO 0.01 0.96 0.17 -0.07 -0.53 0.00 0.00 176.83 177.37 1mrh h LEU 188 N 0.17 0.35 -0.77 2.23 4.07 -1.16 -2.26 115.31 117.93 1mrh h LEU 188 Ca 0.02 -0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.03 1mrh h LEU 188 Cb 0.83 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 1mrh h LEU 188 CO 0.06 0.30 0.39 -0.33 -1.08 0.00 0.00 178.44 177.78 1mrh h GLU 189 N 0.36 0.62 -0.01 1.13 5.08 -1.09 -2.52 114.58 118.14 1mrh h GLU 189 Ca 0.10 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1mrh h GLU 189 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1mrh h GLU 189 CO -0.02 0.41 -0.82 -0.91 -1.00 0.00 0.00 179.01 176.67 1mrh h ASN 190 N 0.63 0.29 -0.06 1.42 2.35 -1.30 -3.33 115.58 115.59 1mrh h ASN 190 Ca 0.39 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1mrh h ASN 190 Cb 0.44 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1mrh h ASN 190 CO -0.29 0.99 0.00 -1.20 -1.65 0.00 0.00 177.43 175.28 1mrh n SER 191 N -3.71 1.27 -0.32 5.81 7.64 -0.86 -4.24 113.62 119.21 1mrh n SER 191 Ca -0.04 -1.50 0.10 0.00 1.01 0.00 0.00 58.87 58.45 1mrh n SER 191 Cb 0.77 -0.03 0.32 0.00 -1.01 0.00 0.00 64.21 64.25 1mrh n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1mrh h TRP 192 N 1.87 0.98 -0.01 1.43 7.01 -1.63 0.34 115.95 125.95 1mrh h TRP 192 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1mrh h TRP 192 Cb 0.40 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1mrh h TRP 192 CO 0.03 0.36 -0.06 1.03 -2.79 0.00 0.00 178.44 177.01 1mrh h SER 193 N 0.82 0.06 -0.01 2.65 0.87 -1.88 -2.44 113.55 113.63 1mrh h SER 193 Ca 0.49 -0.71 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1mrh h SER 193 Cb 0.65 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1mrh h SER 193 CO -0.25 0.76 -0.20 1.23 -0.53 0.00 0.00 176.83 177.85 1mrh h GLY 194 N -0.63 -0.26 0.38 5.77 0.00 -1.57 -1.99 103.07 104.77 1mrh h GLY 194 Ca -0.01 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1mrh h GLY 194 CO 0.01 -0.18 -0.14 1.41 0.00 0.00 0.00 176.54 177.64 1mrh h LEU 195 N -0.31 -0.46 -0.85 3.11 3.38 -0.49 -2.37 115.31 117.32 1mrh h LEU 195 Ca 0.06 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.26 1mrh h LEU 195 Cb 0.39 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1mrh h LEU 195 CO -0.19 -0.18 0.46 0.28 0.09 0.00 0.00 178.44 178.90 1mrh h SER 196 N -0.14 0.60 -0.11 -0.43 0.02 -1.15 -1.50 113.55 110.83 1mrh h SER 196 Ca 0.12 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1mrh h SER 196 Cb 0.32 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1mrh h SER 196 CO -0.29 0.28 -0.05 0.50 -1.14 0.00 0.00 176.83 176.13 1mrh h LYS 197 N 0.69 0.23 -0.40 3.45 3.64 -0.97 -3.13 116.57 120.09 1mrh h LYS 197 Ca 0.45 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1mrh h LYS 197 Cb 0.57 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1mrh h LYS 197 CO -0.33 0.57 -0.26 1.96 -2.27 0.00 0.00 179.45 179.13 1mrh h GLN 198 N -0.11 0.83 -0.32 1.90 1.08 -1.19 0.40 115.11 117.70 1mrh h GLN 198 Ca 0.03 -0.36 0.01 0.00 -1.45 0.00 0.00 58.65 56.87 1mrh h GLN 198 Cb 0.50 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1mrh h GLN 198 CO 0.02 0.99 0.21 0.82 -0.95 0.00 0.00 178.83 179.92 1mrh h ILE 199 N 0.71 1.07 0.22 2.54 2.04 -1.38 -1.95 117.51 120.77 1mrh h ILE 199 Ca 0.09 -0.14 -0.32 0.00 1.00 0.00 0.00 64.86 65.49 1mrh h ILE 199 Cb 0.79 0.62 0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1mrh h ILE 199 CO 0.07 0.07 -1.44 1.56 0.00 0.00 0.00 178.15 178.41 1mrh h GLN 200 N 0.41 0.47 0.00 2.37 4.20 -1.28 -3.22 115.11 118.05 1mrh h GLN 200 Ca 0.12 -0.80 0.00 0.00 0.06 0.00 0.00 58.65 58.03 1mrh h GLN 200 Cb -0.02 0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1mrh h GLN 200 CO -0.03 1.38 0.00 1.28 -0.67 0.00 0.00 178.83 180.79 1mrh n LEU 201 N -3.66 0.00 0.06 1.46 4.32 0.05 -2.72 117.00 116.50 1mrh n LEU 201 Ca -0.15 0.44 0.07 0.00 -0.02 0.00 0.00 56.01 56.34 1mrh n LEU 201 Cb 1.09 -0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 42.39 1mrh n LEU 201 CO 0.59 -0.23 -0.22 0.00 -1.22 0.00 0.00 177.39 176.30 1mrh n ALA 202 N -1.44 2.31 -1.60 -1.18 0.00 -0.76 -4.36 120.51 113.48 1mrh n ALA 202 Ca 0.04 -0.41 -0.45 0.00 0.00 0.00 0.00 53.44 52.62 1mrh n ALA 202 Cb 0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1mrh n ALA 202 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mrh n GLN 203 N -2.70 2.04 -0.91 0.00 6.02 -1.10 0.51 117.38 121.23 1mrh n GLN 203 Ca -0.05 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1mrh n GLN 203 Cb 0.67 -2.92 0.00 0.00 1.02 0.00 0.00 30.24 29.01 1mrh n GLN 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mrh n GLY 204 N 5.35 0.49 0.27 1.08 0.00 -1.26 -4.87 105.19 106.25 1mrh n GLY 204 Ca 0.28 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1mrh n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mrh n ASN 205 N 0.96 0.74 -0.05 1.61 4.05 0.18 -5.02 115.26 117.74 1mrh n ASN 205 Ca 0.00 -2.11 -0.00 0.00 0.45 0.00 0.00 54.58 52.92 1mrh n ASN 205 Cb 0.00 -0.21 -0.00 0.00 1.23 0.00 0.00 39.78 40.80 1mrh n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mrh n ASN 206 N -0.40 -1.10 -0.01 1.20 3.02 -0.87 -2.78 115.26 114.31 1mrh n ASN 206 Ca 0.04 -0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1mrh n ASN 206 Cb 0.62 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1mrh n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrh n GLY 207 N -0.98 0.32 3.86 7.41 0.00 -0.95 -4.94 105.19 109.90 1mrh n GLY 207 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1mrh n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mrh s ILE 208 N -1.62 5.28 0.10 -0.61 1.01 -1.12 -0.32 121.20 123.94 1mrh s ILE 208 Ca 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.87 1mrh s ILE 208 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 1mrh s ILE 208 CO 0.00 0.60 0.90 -0.36 0.00 0.00 0.00 174.94 176.08 1mrh s PHE 209 N -1.04 3.81 0.18 3.97 0.40 -0.59 -4.20 117.98 120.50 1mrh s PHE 209 Ca 0.19 1.71 -0.10 0.00 -0.60 0.00 0.00 56.93 58.13 1mrh s PHE 209 Cb -0.14 -2.97 0.09 0.00 0.51 0.00 0.00 43.02 40.51 1mrh s PHE 209 CO 0.08 0.26 1.70 0.00 0.70 0.00 0.00 175.22 177.96 1mrh h ARG 210 N 5.45 1.03 -4.86 0.44 2.47 -1.87 -3.41 114.38 113.64 1mrh h ARG 210 Ca -0.43 -0.25 -0.48 0.00 -1.26 0.00 0.00 59.98 57.56 1mrh h ARG 210 Cb 1.21 -0.14 -0.31 0.00 -1.65 0.00 0.00 29.97 29.08 1mrh h ARG 210 CO 0.71 0.93 -0.81 0.99 0.56 0.00 0.00 179.97 182.35 1mrh s THR 211 N -5.31 1.02 -0.04 2.04 2.01 -1.26 -5.13 115.64 108.97 1mrh s THR 211 Ca -0.12 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1mrh s THR 211 Cb 0.14 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1mrh s THR 211 CO 0.83 0.31 1.04 -2.84 -0.69 0.00 0.00 174.62 173.27 1mrh s PRO 212 N 0.14 4.47 -0.44 4.92 0.02 -1.26 -4.94 135.00 137.90 1mrh s PRO 212 Ca -0.03 1.48 -0.24 0.00 0.02 0.00 0.00 61.00 62.23 1mrh s PRO 212 Cb -0.10 -3.49 0.02 0.00 0.02 0.00 0.00 34.50 30.96 1mrh s PRO 212 CO 0.01 -0.22 0.84 0.42 -0.33 0.00 0.00 177.00 177.72 1mrh s ILE 213 N 1.53 4.59 -0.24 2.83 -1.09 0.11 -4.79 121.20 124.13 1mrh s ILE 213 Ca 0.52 0.61 -0.23 0.00 -2.23 0.00 0.00 60.65 59.32 1mrh s ILE 213 Cb -0.21 -4.35 -0.01 0.00 -1.58 0.00 0.00 42.46 36.30 1mrh s ILE 213 CO 0.24 -0.73 0.75 0.54 -1.23 0.00 0.00 174.94 174.51 1mrh s VAL 214 N 3.45 4.90 0.07 2.92 0.11 -1.26 0.98 120.40 131.57 1mrh s VAL 214 Ca 0.33 1.40 0.03 0.00 -2.93 0.00 0.00 61.98 60.80 1mrh s VAL 214 Cb -0.11 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1mrh s VAL 214 CO 0.23 -0.03 0.06 -0.76 -3.33 0.00 0.00 175.10 171.27 1mrh s LEU 215 N 2.68 3.72 -0.01 2.54 1.43 0.10 -4.93 118.68 124.21 1mrh s LEU 215 Ca 0.31 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 1mrh s LEU 215 Cb -0.15 -2.38 -0.28 0.00 0.03 0.00 0.00 46.19 43.41 1mrh s LEU 215 CO 0.08 0.19 1.01 0.58 0.23 0.00 0.00 176.35 178.44 1mrh h VAL 216 N 2.75 1.45 0.00 -1.59 2.07 -1.90 1.42 116.25 120.45 1mrh h VAL 216 Ca -0.47 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.73 1mrh h VAL 216 Cb 1.17 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1mrh h VAL 216 CO 0.64 0.67 0.00 -0.67 0.02 0.00 0.00 177.57 178.23 1mrh n ASP 217 N -4.13 0.00 -3.80 0.57 2.03 -1.26 -2.83 116.55 107.14 1mrh n ASP 217 Ca -0.12 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.77 1mrh n ASP 217 Cb 0.78 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.19 1mrh n ASP 217 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mrh n ASN 218 N 0.00 6.97 -1.88 1.67 4.13 -1.26 -3.07 115.26 121.82 1mrh n ASN 218 Ca 0.00 -3.57 -0.05 0.00 1.68 0.00 0.00 54.58 52.64 1mrh n ASN 218 Cb 0.00 -1.21 0.07 0.00 -1.54 0.00 0.00 39.78 37.09 1mrh n ASN 218 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1mrh n LYS 219 N 0.54 1.88 0.00 3.52 4.81 -1.13 -5.02 118.16 122.76 1mrh n LYS 219 Ca 0.38 -3.34 0.00 0.00 -0.87 0.00 0.00 58.31 54.48 1mrh n LYS 219 Cb 0.29 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1mrh n LYS 219 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mrh n GLY 220 N -0.50 0.63 3.45 3.14 0.00 -1.17 -4.42 105.19 106.31 1mrh n GLY 220 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 1mrh n GLY 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrh s ASN 221 N 0.00 -0.56 -0.86 1.61 2.47 -1.25 -4.94 114.94 111.40 1mrh s ASN 221 Ca 0.00 0.33 -0.03 0.00 0.42 0.00 0.00 52.86 53.57 1mrh s ASN 221 Cb 0.00 0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 40.30 1mrh s ASN 221 CO 0.00 -0.76 0.77 0.54 -3.72 0.00 0.00 177.10 173.94 1mrh n ARG 222 N 0.35 -1.75 -2.93 0.43 5.12 -1.21 -4.90 116.66 111.78 1mrh n ARG 222 Ca -0.18 1.05 -0.25 0.00 -1.93 0.00 0.00 57.85 56.54 1mrh n ARG 222 Cb 0.61 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.41 1mrh n ARG 222 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1mrh s VAL 223 N -3.22 4.67 -0.11 1.55 1.01 0.49 -4.95 120.40 119.84 1mrh s VAL 223 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1mrh s VAL 223 Cb -0.03 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1mrh s VAL 223 CO 0.69 -0.62 0.05 -1.58 0.00 0.00 0.00 175.10 173.65 1mrh s GLN 224 N -4.59 0.21 -0.24 2.72 0.74 -1.26 -0.72 119.66 116.52 1mrh s GLN 224 Ca 0.46 0.06 -0.19 0.00 0.05 0.00 0.00 55.36 55.73 1mrh s GLN 224 Cb -0.10 -1.27 -0.02 0.00 1.10 0.00 0.00 33.01 32.72 1mrh s GLN 224 CO 0.41 -0.48 0.58 0.42 -0.55 0.00 0.00 175.29 175.66 1mrh s ILE 225 N 2.07 5.04 0.00 -2.34 -1.09 0.27 -4.91 121.20 120.25 1mrh s ILE 225 Ca 0.03 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1mrh s ILE 225 Cb -0.14 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1mrh s ILE 225 CO -0.06 0.08 0.00 0.35 -1.23 0.00 0.00 174.94 174.08 1mrh n THR 226 N 5.00 0.00 -3.85 2.92 -2.24 -1.26 -0.71 114.28 114.14 1mrh n THR 226 Ca -0.02 -0.28 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 1mrh n THR 226 Cb 0.50 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 1mrh n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mrh s ASN 227 N -0.95 -0.14 0.00 3.42 2.20 -1.26 -1.54 114.94 116.66 1mrh s ASN 227 Ca 0.00 -0.82 0.11 0.00 -0.94 0.00 0.00 52.86 51.21 1mrh s ASN 227 Cb 0.00 0.77 0.32 0.00 -2.00 0.00 0.00 41.25 40.34 1mrh s ASN 227 CO 0.00 -1.46 1.26 1.33 -2.94 0.00 0.00 177.10 175.29 1mrh n VAL 228 N -0.48 0.47 0.06 3.54 0.24 0.57 -3.25 118.33 119.47 1mrh n VAL 228 Ca -0.05 -0.47 0.01 0.00 -2.04 0.00 0.00 64.34 61.79 1mrh n VAL 228 Cb 0.59 0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 33.15 1mrh n VAL 228 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1mrh h THR 229 N 2.07 0.58 -1.38 3.34 1.35 -1.97 -3.38 112.91 113.51 1mrh h THR 229 Ca 0.00 -2.02 -0.57 0.00 -0.55 0.00 0.00 66.41 63.27 1mrh h THR 229 Cb 0.47 2.12 0.13 0.00 -1.73 0.00 0.00 68.15 69.14 1mrh h THR 229 CO 0.00 0.33 -0.78 -0.24 -0.25 0.00 0.00 175.52 174.58 1mrh n SER 230 N -2.97 -2.29 0.20 5.36 2.88 -1.20 -4.40 113.62 111.20 1mrh n SER 230 Ca -0.06 0.79 0.05 0.00 -1.33 0.00 0.00 58.87 58.32 1mrh n SER 230 Cb 0.80 -0.81 0.41 0.00 -0.75 0.00 0.00 64.21 63.86 1mrh n SER 230 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1mrh h LYS 231 N 0.41 0.00 0.00 -1.46 2.10 -1.93 0.23 116.57 115.93 1mrh h LYS 231 Ca -0.31 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.29 1mrh h LYS 231 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1mrh h LYS 231 CO 0.44 0.34 -0.23 -0.24 -2.00 0.00 0.00 179.45 177.76 1mrh h VAL 232 N 0.00 0.90 0.00 0.07 3.04 -1.94 0.56 116.25 118.88 1mrh h VAL 232 Ca -0.00 -0.86 -0.11 0.00 -1.01 0.00 0.00 66.70 64.72 1mrh h VAL 232 Cb 0.70 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1mrh h VAL 232 CO 0.04 0.22 -0.65 0.58 -1.01 0.00 0.00 177.57 176.76 1mrh h VAL 233 N 0.00 1.04 -0.14 1.51 2.07 -1.58 0.11 116.25 119.27 1mrh h VAL 233 Ca -0.00 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.45 1mrh h VAL 233 Cb 0.48 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1mrh h VAL 233 CO 0.03 0.35 -0.20 0.71 0.02 0.00 0.00 177.57 178.48 1mrh h THR 234 N -1.00 1.21 0.00 2.57 1.35 -0.40 -3.38 112.91 113.26 1mrh h THR 234 Ca -0.16 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1mrh h THR 234 Cb 1.01 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1mrh h THR 234 CO -0.10 0.30 -0.05 -1.54 -0.25 0.00 0.00 175.52 173.88 1mrh n SER 235 N -4.21 0.23 0.00 5.36 3.41 0.18 -5.00 113.62 113.60 1mrh n SER 235 Ca -0.01 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1mrh n SER 235 Cb 0.32 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1mrh n SER 235 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mrh n ASN 236 N -0.27 0.00 -4.70 4.04 2.85 -0.39 -4.76 115.26 112.03 1mrh n ASN 236 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1mrh n ASN 236 Cb 0.00 -0.32 -0.02 0.00 1.24 0.00 0.00 39.78 40.68 1mrh n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mrh n ILE 237 N -2.18 1.11 0.00 -1.44 3.06 0.36 -1.66 119.36 118.60 1mrh n ILE 237 Ca 0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1mrh n ILE 237 Cb 0.00 -1.68 0.00 0.00 0.54 0.00 0.00 39.64 38.50 1mrh n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mrh n GLN 238 N 1.89 1.64 -3.74 9.51 1.13 -0.38 -4.89 117.38 122.55 1mrh n GLN 238 Ca 0.09 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.03 1mrh n GLN 238 Cb 0.34 -0.85 -0.12 0.00 0.11 0.00 0.00 30.24 29.72 1mrh n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1mrh s LEU 239 N -2.44 0.47 -0.10 1.08 1.43 -1.25 -4.38 118.68 113.49 1mrh s LEU 239 Ca 0.00 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1mrh s LEU 239 Cb 0.00 0.92 -0.03 0.00 0.03 0.00 0.00 46.19 47.10 1mrh s LEU 239 CO 0.00 -0.15 0.00 -0.76 0.23 0.00 0.00 176.35 175.67 1mrh s LEU 240 N 0.95 3.58 -0.12 1.79 1.43 -0.07 -4.97 118.68 121.28 1mrh s LEU 240 Ca -0.07 0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 52.94 1mrh s LEU 240 Cb -0.07 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1mrh s LEU 240 CO -0.07 0.35 0.67 -0.22 0.23 0.00 0.00 176.35 177.32 1mrh s LEU 241 N -0.73 4.25 0.37 1.79 2.96 -1.26 -1.37 118.68 124.69 1mrh s LEU 241 Ca 0.11 1.05 -0.27 0.00 -0.22 0.00 0.00 54.13 54.81 1mrh s LEU 241 Cb -0.12 -3.01 -0.10 0.00 0.50 0.00 0.00 46.19 43.47 1mrh s LEU 241 CO 0.02 -0.17 1.35 0.21 -1.32 0.00 0.00 176.35 176.44 1mrh s ASN 242 N 0.92 6.47 0.43 3.68 3.04 -1.26 -4.61 114.94 123.61 1mrh s ASN 242 Ca 0.34 2.76 0.29 0.00 0.04 0.00 0.00 52.86 56.29 1mrh s ASN 242 Cb -0.17 -2.65 1.05 0.00 -1.54 0.00 0.00 41.25 37.95 1mrh s ASN 242 CO 0.15 -0.75 1.84 0.71 -3.04 0.00 0.00 177.10 176.00 1mrh h THR 243 N 2.77 0.00 0.00 -5.21 1.35 -1.92 0.78 112.91 110.68 1mrh h THR 243 Ca -0.50 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 1mrh h THR 243 Cb 1.24 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1mrh h THR 243 CO 0.64 0.00 -0.03 0.03 -0.25 0.00 0.00 175.52 175.91 1mrh h ARG 244 N 0.00 0.00 -0.54 4.72 2.47 -1.94 -2.52 114.38 116.57 1mrh h ARG 244 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mrh h ARG 244 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1mrh h ARG 244 CO 0.00 0.03 0.00 0.09 0.56 0.00 0.00 179.97 180.65 1mrh n ASN 245 N -3.34 3.51 -0.73 7.04 5.03 0.26 -5.11 115.26 121.92 1mrh n ASN 245 Ca -0.02 -1.98 0.09 0.00 0.87 0.00 0.00 54.58 53.54 1mrh n ASN 245 Cb 0.16 -0.36 0.08 0.00 -1.02 0.00 0.00 39.78 38.63 1mrh n ASN 245 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05