#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8t h LEU 2 N 0.00 0.32 -0.90 0.27 3.38 -1.71 0.43 115.31 117.09 1m8t h LEU 2 Ca 0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1m8t h LEU 2 Cb 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1m8t h LEU 2 CO 0.00 -0.04 -0.23 0.58 0.09 0.00 0.00 178.44 178.84 1m8t h VAL 3 N 0.22 1.26 0.00 1.22 2.07 -1.97 -0.88 116.25 118.17 1m8t h VAL 3 Ca 0.70 -1.25 -0.16 0.00 0.82 0.00 0.00 66.70 66.81 1m8t h VAL 3 Cb 2.07 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1m8t h VAL 3 CO -0.33 0.40 -0.77 1.56 0.02 0.00 0.00 177.57 178.45 1m8t h GLN 4 N 0.49 0.00 -0.58 1.57 4.20 -0.64 -2.11 115.11 118.04 1m8t h GLN 4 Ca 0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1m8t h GLN 4 Cb 0.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1m8t h GLN 4 CO 0.05 0.77 0.07 0.35 -0.67 0.00 0.00 178.83 179.40 1m8t h PHE 5 N 0.00 1.04 -0.52 2.96 -0.00 -0.68 -0.16 116.94 119.58 1m8t h PHE 5 Ca -0.01 -0.15 0.02 0.00 -0.00 0.00 0.00 57.97 57.83 1m8t h PHE 5 Cb 1.44 -0.28 -0.03 0.00 -0.00 0.00 0.00 35.95 37.07 1m8t h PHE 5 CO 0.00 0.91 0.32 -0.97 -0.00 0.00 0.00 178.31 178.58 1m8t h ASN 6 N 0.87 0.54 -0.13 0.41 -1.24 -1.00 -0.95 115.58 114.07 1m8t h ASN 6 Ca 0.17 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1m8t h ASN 6 Cb 0.45 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1m8t h ASN 6 CO 0.02 0.38 0.03 1.23 -1.29 0.00 0.00 177.43 177.80 1m8t h GLY 7 N 0.65 0.31 1.14 1.57 0.00 -0.79 -1.62 103.07 104.33 1m8t h GLY 7 Ca 0.20 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 1m8t h GLY 7 CO -0.08 0.14 -0.65 -0.33 0.00 0.00 0.00 176.54 175.62 1m8t h MET 8 N 0.29 0.82 0.00 4.80 2.86 0.04 -2.71 114.93 121.03 1m8t h MET 8 Ca 0.07 -0.60 -0.08 0.00 -2.06 0.00 0.00 59.70 57.03 1m8t h MET 8 Cb 0.15 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1m8t h MET 8 CO -0.00 1.22 -0.39 0.82 1.06 0.00 0.00 176.91 179.62 1m8t h ILE 9 N 0.58 1.26 -0.09 -1.22 2.04 -0.80 -1.95 117.51 117.34 1m8t h ILE 9 Ca -0.02 -1.35 -0.13 0.00 1.00 0.00 0.00 64.86 64.36 1m8t h ILE 9 Cb 1.27 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1m8t h ILE 9 CO 0.14 0.38 -0.50 0.03 0.00 0.00 0.00 178.15 178.20 1m8t h ARG 10 N 0.00 0.24 -0.65 2.37 3.08 -1.26 0.11 114.38 118.28 1m8t h ARG 10 Ca -0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1m8t h ARG 10 Cb 0.70 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1m8t h ARG 10 CO 0.05 0.69 0.27 0.00 -1.07 0.00 0.00 179.97 179.91 1m8t n THR 12 N -4.43 1.20 -3.48 0.00 -2.24 -1.06 -4.21 114.28 100.07 1m8t n THR 12 Ca 0.04 -0.70 -0.27 0.00 -2.27 0.00 0.00 64.05 60.86 1m8t n THR 12 Cb 0.16 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.56 1m8t n THR 12 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1m8t n ILE 13 N -2.88 0.09 -0.34 2.28 5.41 0.39 -4.85 119.36 119.46 1m8t n ILE 13 Ca -0.11 -4.15 0.29 0.00 1.00 0.00 0.00 62.75 59.78 1m8t n ILE 13 Cb 0.86 -1.91 0.61 0.00 -0.71 0.00 0.00 39.64 38.49 1m8t n ILE 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1m8t h PRO 14 N 5.03 0.21 -0.03 0.38 0.11 -1.53 0.79 132.00 136.98 1m8t h PRO 14 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1m8t h PRO 14 Cb 0.83 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1m8t h PRO 14 CO 0.54 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 1m8t n GLY 15 N -1.58 -0.67 3.81 -0.55 0.00 -1.26 -4.89 105.19 100.04 1m8t n GLY 15 Ca 0.27 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1m8t n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m8t s SER 16 N -1.79 7.10 -0.67 1.61 1.04 0.27 -4.99 113.70 116.27 1m8t s SER 16 Ca 0.37 1.57 0.06 0.00 0.48 0.00 0.00 55.95 58.43 1m8t s SER 16 Cb 0.18 -2.48 0.21 0.00 0.10 0.00 0.00 66.02 64.03 1m8t s SER 16 CO 0.29 -0.07 0.63 -0.38 0.98 0.00 0.00 173.24 174.69 1m8t n ILE 17 N 0.38 2.02 -0.33 -1.02 5.41 -1.26 -4.82 119.36 119.74 1m8t n ILE 17 Ca 0.01 -5.06 -0.09 0.00 1.00 0.00 0.00 62.75 58.62 1m8t n ILE 17 Cb 0.51 -2.14 -0.08 0.00 -0.71 0.00 0.00 39.64 37.22 1m8t n ILE 17 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1m8t n PRO 18 N 1.38 -0.34 0.23 0.38 -0.02 -1.26 -0.07 135.00 135.29 1m8t n PRO 18 Ca 0.25 1.33 0.11 0.00 -2.02 0.00 0.00 63.50 63.17 1m8t n PRO 18 Cb 0.38 -1.96 0.57 0.00 -0.02 0.00 0.00 33.50 32.47 1m8t n PRO 18 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1m8t h TRP 19 N 0.00 0.00 0.00 6.00 5.08 -1.95 -0.67 115.95 124.41 1m8t h TRP 19 Ca 0.12 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.77 1m8t h TRP 19 Cb 0.32 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.43 1m8t h TRP 19 CO -0.95 0.00 -2.09 1.87 -1.28 0.00 0.00 178.44 175.99 1m8t n TRP 20 N -2.40 0.00 0.23 0.12 -0.00 -0.46 -4.12 117.44 110.80 1m8t n TRP 20 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.56 1m8t n TRP 20 Cb 0.30 -0.70 0.55 0.00 -0.00 0.00 0.00 31.31 31.46 1m8t n TRP 20 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1m8t h ASP 21 N -0.68 0.00 0.00 5.87 3.45 -0.14 -3.30 116.42 121.62 1m8t h ASP 21 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1m8t h ASP 21 Cb 1.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.21 1m8t h ASP 21 CO -0.29 0.19 0.00 -1.22 -1.57 0.00 0.00 179.24 176.34 1m8t n TYR 22 N -4.09 0.00 0.61 4.55 4.01 -0.29 -4.75 117.16 117.19 1m8t n TYR 22 Ca -0.02 -0.37 0.13 0.00 -0.16 0.00 0.00 57.90 57.47 1m8t n TYR 22 Cb 0.26 -0.04 0.42 0.00 -0.31 0.00 0.00 39.34 39.67 1m8t n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1m8t n SER 23 N -0.37 0.78 -3.10 7.72 3.41 -1.24 -3.85 113.62 116.96 1m8t n SER 23 Ca 0.00 0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 59.03 1m8t n SER 23 Cb 0.31 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1m8t n SER 23 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1m8t n ASP 24 N -2.24 -1.78 -3.82 4.04 4.64 -1.25 -3.90 116.55 112.24 1m8t n ASP 24 Ca 0.05 -2.65 -0.15 0.00 -1.38 0.00 0.00 54.79 50.67 1m8t n ASP 24 Cb 0.40 0.49 -0.15 0.00 -1.04 0.00 0.00 41.12 40.82 1m8t n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1m8t s TYR 25 N 0.36 0.13 0.00 -0.67 6.14 -0.23 -0.47 117.35 122.61 1m8t s TYR 25 Ca 0.32 0.05 0.00 0.00 0.64 0.00 0.00 57.07 58.08 1m8t s TYR 25 Cb 0.04 -0.23 0.00 0.00 0.42 0.00 0.00 41.96 42.19 1m8t s TYR 25 CO -0.14 -0.07 0.00 0.41 0.64 0.00 0.00 175.55 176.39 1m8t n GLY 26 N 3.82 1.01 0.05 8.97 0.00 0.33 -1.74 105.19 117.64 1m8t n GLY 26 Ca -0.23 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1m8t n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8t n TYR 28 N -2.38 0.00 -1.91 0.00 4.01 -1.25 -2.65 117.16 112.98 1m8t n TYR 28 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1m8t n TYR 28 Cb 0.54 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.47 1m8t n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m8t n GLY 30 N 5.53 1.29 3.63 0.00 0.00 -1.25 -1.07 105.19 113.32 1m8t n GLY 30 Ca 0.25 -2.25 -0.52 0.00 0.00 0.00 0.00 46.02 43.50 1m8t n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m8t n SER 31 N 0.00 2.10 -0.65 1.61 3.41 -1.26 -4.61 113.62 114.22 1m8t n SER 31 Ca 0.00 1.10 0.04 0.00 -0.26 0.00 0.00 58.87 59.75 1m8t n SER 31 Cb 0.00 -1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 62.71 1m8t n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m8t n GLY 32 N 3.05 -1.68 0.00 5.00 0.00 -1.26 -5.02 105.19 105.28 1m8t n GLY 32 Ca 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1m8t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m8t n GLY 33 N -1.05 1.73 3.79 -0.02 0.00 -1.26 -4.63 105.19 103.74 1m8t n GLY 33 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1m8t n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m8t s SER 34 N 0.00 -0.23 0.40 1.61 1.04 -1.08 -4.99 113.70 110.45 1m8t s SER 34 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1m8t s SER 34 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1m8t s SER 34 CO 0.00 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1m8t n GLY 35 N -0.46 -0.55 3.79 7.32 0.00 -1.26 -4.68 105.19 109.35 1m8t n GLY 35 Ca -0.05 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1m8t n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m8t s THR 36 N 0.00 5.15 0.38 2.61 2.01 -1.26 -5.04 115.64 119.49 1m8t s THR 36 Ca 0.00 0.77 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 1m8t s THR 36 Cb 0.00 -3.70 -0.11 0.00 0.01 0.00 0.00 72.50 68.70 1m8t s THR 36 CO 0.00 0.49 1.28 -2.65 -0.69 0.00 0.00 174.62 173.04 1m8t n PRO 37 N 2.60 2.04 0.13 4.92 -0.02 -1.26 -4.82 135.00 138.59 1m8t n PRO 37 Ca -0.12 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1m8t n PRO 37 Cb 0.52 -2.35 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1m8t n PRO 37 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1m8t h VAL 38 N 2.34 1.23 -1.62 -1.45 3.04 -1.96 -3.48 116.25 114.35 1m8t h VAL 38 Ca -0.47 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 62.88 1m8t h VAL 38 Cb 1.29 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.92 1m8t h VAL 38 CO 0.61 0.62 0.00 -0.90 -1.01 0.00 0.00 177.57 176.89 1m8t n ASP 39 N -3.46 0.00 0.13 3.17 3.85 -1.26 -5.02 116.55 113.96 1m8t n ASP 39 Ca 0.00 -0.69 -0.13 0.00 -0.71 0.00 0.00 54.79 53.26 1m8t n ASP 39 Cb 0.71 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.40 1m8t n ASP 39 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1m8t h GLU 40 N 0.00 -0.27 -0.04 0.11 5.08 -1.93 -1.07 114.58 116.47 1m8t h GLU 40 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1m8t h GLU 40 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1m8t h GLU 40 CO 0.00 -0.18 0.01 1.25 -1.00 0.00 0.00 179.01 179.09 1m8t h LEU 41 N -0.28 0.01 -2.39 1.33 5.85 -1.91 -1.50 115.31 116.43 1m8t h LEU 41 Ca -0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1m8t h LEU 41 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1m8t h LEU 41 CO 0.02 0.01 0.04 -0.78 -0.34 0.00 0.00 178.44 177.40 1m8t h ASP 42 N 0.03 0.00 0.09 1.25 3.58 -1.89 0.46 116.42 119.94 1m8t h ASP 42 Ca 0.02 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.30 1m8t h ASP 42 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1m8t h ASP 42 CO -0.02 0.00 -0.58 0.03 -2.88 0.00 0.00 179.24 175.79 1m8t h ARG 43 N 0.00 0.50 -0.65 0.28 -0.00 -0.18 -2.19 114.38 112.14 1m8t h ARG 43 Ca 0.02 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.98 59.10 1m8t h ARG 43 Cb 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.10 1m8t h ARG 43 CO -0.00 0.94 0.15 0.00 0.00 0.00 0.00 179.97 181.06 1m8t h GLN 46 N 0.21 0.91 -0.47 0.00 4.15 -1.16 0.23 115.11 118.98 1m8t h GLN 46 Ca 0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.03 1m8t h GLN 46 Cb 1.03 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.63 1m8t h GLN 46 CO 0.09 0.96 -0.04 0.28 -1.93 0.00 0.00 178.83 178.18 1m8t h VAL 47 N 0.77 1.27 -0.26 2.39 2.07 -1.31 -2.30 116.25 118.88 1m8t h VAL 47 Ca 0.14 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1m8t h VAL 47 Cb 0.57 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1m8t h VAL 47 CO 0.03 0.39 0.08 -0.74 0.02 0.00 0.00 177.57 177.35 1m8t h HIS 48 N 0.71 0.42 -0.78 1.57 -0.00 -0.93 -1.50 115.15 114.65 1m8t h HIS 48 Ca 0.13 -0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1m8t h HIS 48 Cb 0.56 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 1m8t h HIS 48 CO 0.04 0.46 0.47 -0.44 -0.00 0.00 0.00 177.93 178.47 1m8t h ASP 49 N 0.25 0.74 0.08 3.26 5.19 -0.49 -0.81 116.42 124.64 1m8t h ASP 49 Ca 0.08 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1m8t h ASP 49 Cb 0.24 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1m8t h ASP 49 CO -0.00 0.48 -0.04 -1.13 -3.12 0.00 0.00 179.24 175.43 1m8t h ASN 50 N 0.87 -0.09 -0.72 6.45 -0.00 -1.23 -1.02 115.58 119.84 1m8t h ASN 50 Ca 0.34 -0.04 0.09 0.00 -0.00 0.00 0.00 56.30 56.69 1m8t h ASN 50 Cb 0.15 0.02 -0.07 0.00 -0.00 0.00 0.00 38.32 38.42 1m8t h ASN 50 CO -0.16 -0.02 0.37 0.00 -0.00 0.00 0.00 177.43 177.62 1m8t h TYR 52 N 0.63 0.83 -0.84 0.00 -1.99 -0.86 0.40 116.97 115.15 1m8t h TYR 52 Ca 0.36 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 1m8t h TYR 52 Cb 0.37 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 1m8t h TYR 52 CO -0.10 0.69 0.52 1.15 -0.00 0.00 0.00 178.16 180.42 1m8t h THR 53 N 0.73 1.23 -0.38 -2.88 2.02 -0.23 -1.88 112.91 111.52 1m8t h THR 53 Ca 0.18 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1m8t h THR 53 Cb 0.23 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1m8t h THR 53 CO -0.01 0.23 -0.12 1.56 0.37 0.00 0.00 175.52 177.55 1m8t h GLN 54 N 1.14 0.75 0.00 6.66 1.08 -0.83 -2.52 115.11 121.40 1m8t h GLN 54 Ca 0.30 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1m8t h GLN 54 Cb -0.07 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1m8t h GLN 54 CO -0.06 0.90 0.00 0.00 -0.95 0.00 0.00 178.83 178.72 1m8t n ALA 55 N -2.45 1.61 0.02 3.87 0.00 0.11 -1.80 120.51 121.86 1m8t n ALA 55 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1m8t n ALA 55 Cb 0.37 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1m8t n ALA 55 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1m8t h GLN 56 N 0.00 0.00 0.00 0.00 4.20 -0.89 -3.32 115.11 115.10 1m8t h GLN 56 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1m8t h GLN 56 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1m8t h GLN 56 CO 0.00 0.38 0.00 0.37 -0.67 0.00 0.00 178.83 178.91 1m8t h GLN 57 N 0.00 0.00 -6.89 1.46 4.15 -1.39 -3.42 115.11 109.02 1m8t h GLN 57 Ca -0.19 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.71 1m8t h GLN 57 Cb 1.72 0.00 0.05 0.00 0.21 0.00 0.00 27.48 29.47 1m8t h GLN 57 CO 0.06 0.00 0.55 -0.51 -1.93 0.00 0.00 178.83 177.00 1m8t s LEU 58 N -4.61 4.35 -0.39 -2.39 1.43 -1.25 -4.85 118.68 110.97 1m8t s LEU 58 Ca 0.05 2.47 -0.41 0.00 -1.03 0.00 0.00 54.13 55.21 1m8t s LEU 58 Cb 0.10 -3.80 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 1m8t s LEU 58 CO 0.44 -0.52 1.96 1.07 0.23 0.00 0.00 176.35 179.52 1m8t n THR 59 N 0.57 0.15 -3.29 5.49 5.66 -1.26 -2.05 114.28 119.55 1m8t n THR 59 Ca 0.02 -0.09 -0.20 0.00 -3.05 0.00 0.00 64.05 60.73 1m8t n THR 59 Cb 0.44 -1.04 0.01 0.00 -1.55 0.00 0.00 70.33 68.19 1m8t n THR 59 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1m8t n GLU 60 N 6.54 -1.14 -3.84 1.09 2.13 -1.26 -4.94 120.64 119.23 1m8t n GLU 60 Ca 0.39 0.61 -0.29 0.00 0.66 0.00 0.00 57.16 58.54 1m8t n GLU 60 Cb 0.08 -1.52 -0.16 0.00 0.27 0.00 0.00 31.44 30.11 1m8t n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m8t s SER 67 N 1.65 4.63 0.59 0.00 0.15 -1.26 -4.15 113.70 115.31 1m8t s SER 67 Ca -0.02 -0.94 0.30 0.00 0.70 0.00 0.00 55.95 55.99 1m8t s SER 67 Cb -0.17 -1.72 1.81 0.00 -1.71 0.00 0.00 66.02 64.23 1m8t s SER 67 CO -0.07 -0.18 2.24 1.55 1.20 0.00 0.00 173.24 177.98 1m8t h PRO 68 N 8.06 0.00 -0.12 5.44 0.13 -1.85 0.07 132.00 143.72 1m8t h PRO 68 Ca -0.29 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 1m8t h PRO 68 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1m8t h PRO 68 CO 0.57 0.02 -0.72 1.88 -0.23 0.00 0.00 178.00 179.52 1m8t h TYR 69 N 0.00 0.75 0.00 1.56 0.05 -1.96 -3.27 116.97 114.10 1m8t h TYR 69 Ca -0.00 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.44 1m8t h TYR 69 Cb 0.05 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1m8t h TYR 69 CO 0.00 1.10 -1.28 -1.13 -1.05 0.00 0.00 178.16 175.80 1m8t n SER 70 N -3.89 3.73 -4.67 3.88 3.41 -1.09 -2.83 113.62 112.16 1m8t n SER 70 Ca -0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.11 1m8t n SER 70 Cb 0.71 1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 65.71 1m8t n SER 70 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1m8t n LYS 71 N -1.82 2.55 -3.27 4.33 3.00 -0.01 -4.57 118.16 118.36 1m8t n LYS 71 Ca -0.03 0.93 -0.39 0.00 -0.00 0.00 0.00 58.31 58.82 1m8t n LYS 71 Cb 0.28 -2.84 -0.07 0.00 0.00 0.00 0.00 35.03 32.40 1m8t n LYS 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1m8t s ARG 72 N 4.19 4.12 0.37 1.64 0.52 -1.26 0.98 118.95 129.52 1m8t s ARG 72 Ca 0.90 0.32 0.08 0.00 -0.52 0.00 0.00 55.73 56.51 1m8t s ARG 72 Cb -0.56 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 1m8t s ARG 72 CO 0.46 -0.23 0.25 1.52 0.02 0.00 0.00 175.30 177.32 1m8t s TYR 73 N 1.92 2.74 -0.27 -0.53 -0.85 -1.26 -4.88 117.35 114.21 1m8t s TYR 73 Ca 0.21 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 56.25 1m8t s TYR 73 Cb -0.15 -1.89 -0.02 0.00 0.38 0.00 0.00 41.96 40.28 1m8t s TYR 73 CO 0.09 0.14 0.10 0.45 -1.52 0.00 0.00 175.55 174.81 1m8t s SER 74 N -3.98 5.30 0.14 -0.18 0.15 -1.26 -5.00 113.70 108.88 1m8t s SER 74 Ca 0.42 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 1m8t s SER 74 Cb -0.02 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1m8t s SER 74 CO 0.25 -0.10 0.12 -0.72 1.20 0.00 0.00 173.24 174.00 1m8t s TYR 75 N 1.61 0.74 0.06 3.44 1.13 -1.26 -0.64 117.35 122.43 1m8t s TYR 75 Ca 0.06 -1.11 0.07 0.00 -1.41 0.00 0.00 57.07 54.68 1m8t s TYR 75 Cb -0.16 -0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.31 1m8t s TYR 75 CO 0.05 -0.58 -0.20 0.34 -2.51 0.00 0.00 175.55 172.64 1m8t s ASP 76 N -3.03 2.40 -0.27 -0.18 2.15 0.23 -4.84 116.67 113.12 1m8t s ASP 76 Ca 0.23 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.63 1m8t s ASP 76 Cb 0.06 -0.17 0.08 0.00 -0.30 0.00 0.00 42.92 42.59 1m8t s ASP 76 CO 0.02 0.11 0.04 0.00 -0.17 0.00 0.00 175.17 175.17 1m8t n SER 78 N 4.80 0.00 -3.78 0.00 7.64 -0.93 -4.86 113.62 116.50 1m8t n SER 78 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 1m8t n SER 78 Cb 0.44 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1m8t n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1m8t n GLU 79 N 0.00 1.77 0.00 1.43 4.71 -1.26 -4.25 120.64 123.04 1m8t n GLU 79 Ca 0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 57.16 55.07 1m8t n GLU 79 Cb 0.00 -3.08 0.00 0.00 -1.01 0.00 0.00 31.44 27.35 1m8t n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1m8t n GLY 80 N 4.63 2.70 3.72 0.62 0.00 -1.26 -5.02 105.19 110.59 1m8t n GLY 80 Ca 0.49 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1m8t n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m8t s THR 81 N -0.98 3.78 -0.17 2.61 2.01 -1.26 -4.56 115.64 117.06 1m8t s THR 81 Ca 0.00 1.32 -0.06 0.00 0.31 0.00 0.00 61.69 63.26 1m8t s THR 81 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1m8t s THR 81 CO 0.00 0.13 0.03 -0.22 -0.69 0.00 0.00 174.62 173.87 1m8t s LEU 82 N 0.76 3.62 -0.05 4.42 2.96 -1.26 -2.20 118.68 126.93 1m8t s LEU 82 Ca 0.58 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1m8t s LEU 82 Cb -0.32 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.49 1m8t s LEU 82 CO 0.31 0.17 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.58 1m8t s THR 83 N 0.39 0.55 -0.40 3.68 2.01 -0.59 -5.00 115.64 116.28 1m8t s THR 83 Ca 0.01 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 1m8t s THR 83 Cb -0.13 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1m8t s THR 83 CO 0.01 0.24 0.55 0.00 -0.69 0.00 0.00 174.62 174.72 1m8t n LYS 85 N 5.92 0.60 0.16 0.00 5.02 0.19 -4.91 118.16 125.13 1m8t n LYS 85 Ca -0.04 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1m8t n LYS 85 Cb 0.48 -1.82 0.41 0.00 -0.02 0.00 0.00 35.03 34.09 1m8t n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m8t h ALA 86 N 0.29 1.00 0.00 7.82 0.00 -1.96 -3.29 119.26 123.12 1m8t h ALA 86 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1m8t h ALA 86 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1m8t h ALA 86 CO 0.48 0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.11 1m8t h ASP 87 N 0.00 0.00 -2.10 0.00 2.03 -1.93 -3.46 116.42 110.96 1m8t h ASP 87 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 1m8t h ASP 87 Cb 0.68 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 39.30 1m8t h ASP 87 CO 0.00 0.00 -0.22 0.59 -1.03 0.00 0.00 179.24 178.58 1m8t n ASN 88 N -2.39 -0.10 -3.32 4.15 3.02 -1.24 -4.96 115.26 110.41 1m8t n ASN 88 Ca 0.04 1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 55.44 1m8t n ASN 88 Cb 0.39 -1.15 0.18 0.00 -0.61 0.00 0.00 39.78 38.59 1m8t n ASN 88 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1m8t n ASP 89 N 1.41 -1.23 -0.28 6.41 3.85 -1.26 -4.56 116.55 120.89 1m8t n ASP 89 Ca 0.12 -1.11 -0.01 0.00 -0.71 0.00 0.00 54.79 53.09 1m8t n ASP 89 Cb 0.33 -0.75 0.12 0.00 -1.35 0.00 0.00 41.12 39.47 1m8t n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1m8t h GLU 90 N 0.00 0.86 0.16 0.11 4.81 -1.99 -0.12 114.58 118.41 1m8t h GLU 90 Ca -0.31 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1m8t h GLU 90 Cb 0.92 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1m8t h GLU 90 CO 0.21 0.57 -0.08 0.00 -0.73 0.00 0.00 179.01 178.98 1m8t h ALA 92 N -0.23 1.56 0.40 0.00 0.00 -1.89 0.17 119.26 119.27 1m8t h ALA 92 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1m8t h ALA 92 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1m8t h ALA 92 CO 0.04 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.38 1m8t h ALA 93 N 1.53 -0.54 -0.19 0.00 0.00 -1.07 0.02 119.26 119.01 1m8t h ALA 93 Ca 0.40 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1m8t h ALA 93 Cb 0.28 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1m8t h ALA 93 CO -0.16 -0.71 0.01 0.35 0.00 0.00 0.00 179.25 178.75 1m8t h PHE 94 N -0.73 0.01 -0.77 0.00 3.57 -0.82 -1.69 116.94 116.51 1m8t h PHE 94 Ca -0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1m8t h PHE 94 Cb 0.51 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1m8t h PHE 94 CO -0.01 -0.01 0.32 0.28 -2.23 0.00 0.00 178.31 176.66 1m8t h VAL 95 N 0.08 1.25 -0.05 1.41 2.07 -0.70 -1.61 116.25 118.70 1m8t h VAL 95 Ca 0.09 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1m8t h VAL 95 Cb 0.10 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1m8t h VAL 95 CO -0.14 0.32 -0.21 0.00 0.02 0.00 0.00 177.57 177.56 1m8t h ASP 97 N 0.08 0.45 -0.42 0.00 5.19 -0.44 -1.35 116.42 119.92 1m8t h ASP 97 Ca 0.01 -0.38 0.06 0.00 -0.62 0.00 0.00 57.03 56.10 1m8t h ASP 97 Cb 0.43 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 1m8t h ASP 97 CO 0.03 0.72 0.13 0.00 -3.12 0.00 0.00 179.24 177.01 1m8t h ASP 99 N 0.29 0.94 0.45 0.00 5.19 -1.43 -2.66 116.42 119.20 1m8t h ASP 99 Ca 0.20 -0.53 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1m8t h ASP 99 Cb 0.20 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1m8t h ASP 99 CO -0.22 1.32 -0.22 -0.09 -3.12 0.00 0.00 179.24 176.91 1m8t h ARG 100 N 0.62 -0.60 -0.96 3.56 2.43 -1.01 0.17 114.38 118.60 1m8t h ARG 100 Ca 0.00 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1m8t h ARG 100 Cb 1.20 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.81 1m8t h ARG 100 CO 0.13 -0.40 0.61 0.28 -1.51 0.00 0.00 179.97 179.08 1m8t h VAL 101 N -0.62 0.88 -0.22 0.20 2.07 -1.41 -1.20 116.25 115.96 1m8t h VAL 101 Ca -0.06 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1m8t h VAL 101 Cb 0.48 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1m8t h VAL 101 CO 0.10 0.16 -0.43 0.00 0.02 0.00 0.00 177.57 177.42 1m8t h ALA 102 N 1.57 0.34 -0.85 1.67 0.00 -1.11 -1.30 119.26 119.59 1m8t h ALA 102 Ca 0.48 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1m8t h ALA 102 Cb 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1m8t h ALA 102 CO -0.25 0.47 0.50 0.00 0.00 0.00 0.00 179.25 179.97 1m8t h ALA 103 N 0.61 1.28 -0.21 0.00 0.00 0.02 0.17 119.26 121.13 1m8t h ALA 103 Ca 0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1m8t h ALA 103 Cb 1.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1m8t h ALA 103 CO 0.10 0.61 -0.41 0.82 0.00 0.00 0.00 179.25 180.36 1m8t h ILE 104 N 1.18 1.32 -0.12 0.00 2.04 -1.25 -2.81 117.51 117.86 1m8t h ILE 104 Ca 0.30 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1m8t h ILE 104 Cb -0.03 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1m8t h ILE 104 CO -0.05 0.51 0.07 0.00 0.00 0.00 0.00 178.15 178.68 1m8t h PHE 106 N 0.11 0.62 0.00 0.00 -1.00 -0.69 -0.22 116.94 115.77 1m8t h PHE 106 Ca 0.04 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1m8t h PHE 106 Cb 0.06 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1m8t h PHE 106 CO -0.05 0.15 0.00 0.00 -1.61 0.00 0.00 178.31 176.81 1m8t h ALA 107 N 1.51 1.00 -0.01 2.45 0.00 -1.22 -2.91 119.26 120.07 1m8t h ALA 107 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1m8t h ALA 107 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1m8t h ALA 107 CO -0.35 0.00 -0.66 0.41 0.00 0.00 0.00 179.25 178.66 1m8t n GLY 108 N -0.27 -0.36 3.87 0.00 0.00 -0.15 -4.96 105.19 103.32 1m8t n GLY 108 Ca -0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1m8t n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8t s ALA 109 N -2.59 3.84 0.48 4.61 0.00 -0.85 -5.08 121.76 122.17 1m8t s ALA 109 Ca 0.13 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1m8t s ALA 109 Cb 0.16 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.45 1m8t s ALA 109 CO 0.66 0.76 1.01 -2.14 0.00 0.00 0.00 175.76 176.05 1m8t s PRO 110 N -2.11 3.90 -0.41 0.00 0.02 -1.26 -4.90 135.00 130.24 1m8t s PRO 110 Ca 0.29 1.27 -0.13 0.00 0.02 0.00 0.00 61.00 62.44 1m8t s PRO 110 Cb -0.13 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.31 1m8t s PRO 110 CO 0.21 -0.33 0.28 -0.47 -0.33 0.00 0.00 177.00 176.36 1m8t s TYR 111 N -2.08 3.25 -0.52 6.54 6.14 -1.26 -4.49 117.35 124.92 1m8t s TYR 111 Ca 0.65 -0.82 -0.15 0.00 0.64 0.00 0.00 57.07 57.40 1m8t s TYR 111 Cb -0.14 -2.65 0.13 0.00 0.42 0.00 0.00 41.96 39.71 1m8t s TYR 111 CO 0.19 -0.66 0.47 -0.80 0.64 0.00 0.00 175.55 175.39 1m8t s ASN 112 N 1.80 6.10 0.43 4.32 0.02 -1.26 -4.95 114.94 121.40 1m8t s ASN 112 Ca 0.04 -1.79 0.29 0.00 -1.02 0.00 0.00 52.86 50.37 1m8t s ASN 112 Cb -0.20 -2.17 1.42 0.00 0.02 0.00 0.00 41.25 40.32 1m8t s ASN 112 CO 0.08 -0.82 1.60 0.11 0.02 0.00 0.00 177.10 178.09 1m8t h LYS 113 N 8.80 0.06 -0.08 -0.60 1.57 -1.99 0.42 116.57 124.76 1m8t h LYS 113 Ca -0.28 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1m8t h LYS 113 Cb 1.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1m8t h LYS 113 CO 1.00 0.04 0.08 1.05 -0.57 0.00 0.00 179.45 181.05 1m8t h GLU 114 N 0.06 0.00 -0.54 3.15 4.11 -2.04 -2.05 114.58 117.28 1m8t h GLU 114 Ca 0.84 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.27 1m8t h GLU 114 Cb 2.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.83 1m8t h GLU 114 CO -0.49 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.68 1m8t n ASN 115 N -3.88 2.83 -4.80 3.06 3.02 0.15 -4.86 115.26 110.77 1m8t n ASN 115 Ca -0.01 -2.16 -0.39 0.00 -0.03 0.00 0.00 54.58 51.99 1m8t n ASN 115 Cb 0.18 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1m8t n ASN 115 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1m8t s ILE 116 N -1.59 4.85 -1.16 2.41 1.01 -0.77 -0.51 121.20 125.44 1m8t s ILE 116 Ca 0.31 1.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.82 1m8t s ILE 116 Cb 0.18 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.82 1m8t s ILE 116 CO 0.17 0.52 0.69 -3.20 0.00 0.00 0.00 174.94 173.13 1m8t n ASN 117 N 2.05 -4.46 -4.95 3.58 4.05 0.38 -4.94 115.26 110.97 1m8t n ASN 117 Ca -0.10 -1.21 -0.23 0.00 0.45 0.00 0.00 54.58 53.49 1m8t n ASN 117 Cb 0.51 -1.97 0.03 0.00 1.23 0.00 0.00 39.78 39.58 1m8t n ASN 117 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1m8t s ILE 118 N -3.45 3.28 -1.31 -1.44 -4.36 -1.26 -4.98 121.20 107.67 1m8t s ILE 118 Ca 0.44 -0.46 -0.18 0.00 -0.26 0.00 0.00 60.65 60.19 1m8t s ILE 118 Cb -0.23 -3.25 0.05 0.00 1.25 0.00 0.00 42.46 40.28 1m8t s ILE 118 CO 0.95 -0.20 1.87 -0.67 0.24 0.00 0.00 174.94 177.13 1m8t n ASP 119 N -2.34 4.50 -0.32 4.36 2.03 -1.26 -4.81 116.55 118.71 1m8t n ASP 119 Ca 0.05 -2.88 0.26 0.00 0.52 0.00 0.00 54.79 52.74 1m8t n ASP 119 Cb 0.59 -1.71 0.56 0.00 -0.72 0.00 0.00 41.12 39.84 1m8t n ASP 119 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1m8t h THR 120 N 5.23 0.48 -0.43 5.18 1.35 -1.94 -1.49 112.91 121.30 1m8t h THR 120 Ca 0.46 -0.10 0.13 0.00 -0.55 0.00 0.00 66.41 66.34 1m8t h THR 120 Cb 0.82 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1m8t h THR 120 CO 1.55 0.05 0.32 0.71 -0.25 0.00 0.00 175.52 177.90 1m8t h THR 121 N 0.30 0.76 0.00 6.82 1.35 -1.95 -1.61 112.91 118.58 1m8t h THR 121 Ca 0.59 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 66.17 1m8t h THR 121 Cb 1.70 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 1m8t h THR 121 CO -0.24 0.00 -2.03 0.35 -0.25 0.00 0.00 175.52 173.34 1m8t n THR 122 N -4.38 1.03 0.40 6.82 -2.24 -0.60 -4.66 114.28 110.65 1m8t n THR 122 Ca 0.07 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1m8t n THR 122 Cb 0.52 -1.34 0.38 0.00 -2.10 0.00 0.00 70.33 67.78 1m8t n THR 122 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1m8t h ARG 123 N -0.23 0.00 -0.01 -0.78 3.08 -1.50 -3.53 114.38 111.41 1m8t h ARG 123 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1m8t h ARG 123 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1m8t h ARG 123 CO -0.14 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.76