#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n s GLU 2 N 0.00 4.64 0.01 0.03 0.41 -1.26 -5.05 118.70 117.48 2x8n s GLU 2 Ca 0.00 1.51 -0.13 0.00 -0.41 0.00 0.00 54.97 55.95 2x8n s GLU 2 Cb 0.00 -3.37 0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2x8n s GLU 2 CO 0.00 0.11 0.27 0.54 -0.49 0.00 0.00 175.26 175.69 2x8n s VAL 3 N 0.21 0.08 -1.27 2.63 0.11 -1.26 -5.09 120.40 115.80 2x8n s VAL 3 Ca 0.49 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 2x8n s VAL 3 Cb -0.24 -0.74 0.07 0.00 -1.53 0.00 0.00 36.38 33.93 2x8n s VAL 3 CO 0.30 -0.35 1.71 -0.94 -3.33 0.00 0.00 175.10 172.49 2x8n s SER 4 N -1.69 6.81 0.10 3.54 1.04 -1.26 -4.92 113.70 117.32 2x8n s SER 4 Ca -0.10 -2.36 -0.03 0.00 0.48 0.00 0.00 55.95 53.95 2x8n s SER 4 Cb -0.03 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 2x8n s SER 4 CO 0.00 -1.20 0.07 0.00 0.98 0.00 0.00 173.24 173.09 2x8n s ALA 5 N 4.29 0.52 -0.10 5.32 0.00 -1.26 -5.08 121.76 125.45 2x8n s ALA 5 Ca 0.53 -1.22 0.14 0.00 0.00 0.00 0.00 51.96 51.42 2x8n s ALA 5 Cb 0.04 0.62 -0.21 0.00 0.00 0.00 0.00 23.12 23.57 2x8n s ALA 5 CO 0.06 -0.47 0.16 0.09 0.00 0.00 0.00 175.76 175.61 2x8n n ASN 6 N -0.03 1.28 0.27 0.00 4.13 -1.26 -4.56 115.26 115.09 2x8n n ASN 6 Ca -0.10 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.28 2x8n n ASN 6 Cb 0.63 1.19 0.74 0.00 -1.54 0.00 0.00 39.78 40.79 2x8n n ASN 6 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2x8n h GLU 7 N 0.00 0.00 0.00 3.52 4.11 -2.00 -2.15 114.58 118.06 2x8n h GLU 7 Ca -0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 2x8n h GLU 7 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 2x8n h GLU 7 CO 0.01 0.10 -0.08 1.37 0.07 0.00 0.00 179.01 180.48 2x8n h LEU 8 N 0.00 0.00 -0.79 3.06 8.10 -1.98 -3.47 115.31 120.23 2x8n h LEU 8 Ca -0.00 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.46 2x8n h LEU 8 Cb 0.25 0.00 -0.23 0.00 -0.44 0.00 0.00 40.66 40.24 2x8n h LEU 8 CO 0.01 0.08 -0.78 -1.84 -4.11 0.00 0.00 178.44 171.81 2x8n n GLU 9 N -3.35 -2.63 0.34 0.17 0.28 -0.81 -4.82 120.64 109.81 2x8n n GLU 9 Ca -0.01 0.32 0.23 0.00 -0.16 0.00 0.00 57.16 57.53 2x8n n GLU 9 Cb 0.26 -5.01 1.21 0.00 1.43 0.00 0.00 31.44 29.33 2x8n n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x8n h ALA 10 N 0.92 1.01 -0.00 -1.84 0.00 -1.91 0.49 119.26 117.93 2x8n h ALA 10 Ca -0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2x8n h ALA 10 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2x8n h ALA 10 CO 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.94 2x8n h ALA 11 N 2.00 0.01 -0.21 0.00 0.00 -1.97 -2.50 119.26 116.59 2x8n h ALA 11 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2x8n h ALA 11 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2x8n h ALA 11 CO 0.00 -0.06 0.00 1.03 0.00 0.00 0.00 179.25 180.22 2x8n h SER 12 N -0.72 0.36 -0.79 0.00 0.87 -1.35 -1.96 113.55 109.95 2x8n h SER 12 Ca -0.01 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 2x8n h SER 12 Cb 0.85 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 2x8n h SER 12 CO 0.01 0.58 0.33 0.77 -0.53 0.00 0.00 176.83 178.00 2x8n h SER 13 N 0.13 1.08 -0.72 6.23 4.64 -1.32 -2.73 113.55 120.85 2x8n h SER 13 Ca 0.06 -0.16 0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2x8n h SER 13 Cb 0.39 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 2x8n h SER 13 CO 0.01 0.94 0.39 -0.09 -0.87 0.00 0.00 176.83 177.22 2x8n h ARG 14 N 1.14 0.66 -0.07 4.77 9.65 -1.22 -0.43 114.38 128.90 2x8n h ARG 14 Ca 0.27 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.14 2x8n h ARG 14 Cb 0.19 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 2x8n h ARG 14 CO -0.03 0.44 -0.12 0.52 2.80 0.00 0.00 179.97 183.58 2x8n h MET 15 N 0.68 -0.17 -0.79 0.20 2.86 -1.06 -0.66 114.93 116.00 2x8n h MET 15 Ca 0.34 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 2x8n h MET 15 Cb 0.29 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 2x8n h MET 15 CO -0.23 -0.11 0.47 0.93 1.06 0.00 0.00 176.91 179.03 2x8n h GLU 16 N -0.18 1.07 -0.27 1.72 5.08 -1.28 -2.01 114.58 118.71 2x8n h GLU 16 Ca 0.07 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2x8n h GLU 16 Cb 0.27 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2x8n h GLU 16 CO -0.17 0.76 0.09 0.52 -1.00 0.00 0.00 179.01 179.21 2x8n h MET 17 N 1.09 0.42 -0.12 2.33 2.86 -0.51 -2.37 114.93 118.63 2x8n h MET 17 Ca 0.28 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.71 2x8n h MET 17 Cb -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2x8n h MET 17 CO -0.05 0.48 -0.47 -0.07 1.06 0.00 0.00 176.91 177.86 2x8n h LEU 18 N 0.28 0.32 -0.40 1.22 3.38 -0.90 0.48 115.31 119.68 2x8n h LEU 18 Ca 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2x8n h LEU 18 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2x8n h LEU 18 CO -0.00 0.74 0.09 1.56 0.09 0.00 0.00 178.44 180.92 2x8n h GLN 19 N 0.24 0.65 0.00 1.13 4.20 -1.31 -2.15 115.11 117.87 2x8n h GLN 19 Ca 0.01 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 2x8n h GLN 19 Cb 0.92 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 2x8n h GLN 19 CO 0.08 0.68 -1.00 0.07 -0.67 0.00 0.00 178.83 177.99 2x8n h ARG 20 N 0.51 0.00 0.17 1.46 0.11 -1.28 -3.23 114.38 112.12 2x8n h ARG 20 Ca 0.13 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 2x8n h ARG 20 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2x8n h ARG 20 CO 0.00 0.53 -0.08 1.49 0.10 0.00 0.00 179.97 182.01 2x8n h GLU 21 N 0.00 -0.22 0.00 0.08 4.57 -0.92 -3.45 114.58 114.64 2x8n h GLU 21 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2x8n h GLU 21 Cb 1.58 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.22 2x8n h GLU 21 CO 0.07 -0.15 0.00 0.66 -1.18 0.00 0.00 179.01 178.42 2x8n n TYR 22 N -4.06 0.00 -3.55 0.92 4.02 -0.81 -5.08 117.16 108.60 2x8n n TYR 22 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 2x8n n TYR 22 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 2x8n n TYR 22 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2x8n s SER 23 N -1.00 -0.29 0.64 7.72 0.01 -1.22 -4.96 113.70 114.60 2x8n s SER 23 Ca 0.00 0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2x8n s SER 23 Cb 0.00 0.28 0.11 0.00 0.21 0.00 0.00 66.02 66.62 2x8n s SER 23 CO 0.00 -0.42 0.88 0.42 0.41 0.00 0.00 173.24 174.54 2x8n s THR 24 N -2.29 2.15 -0.27 1.44 -4.23 -1.24 -4.43 115.64 106.77 2x8n s THR 24 Ca 0.04 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 2x8n s THR 24 Cb -0.01 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2x8n s THR 24 CO -0.05 0.00 0.20 -0.22 -0.54 0.00 0.00 174.62 174.01 2x8n s LEU 25 N -4.89 4.04 -0.11 4.79 2.96 -0.78 -0.92 118.68 123.77 2x8n s LEU 25 Ca 0.64 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 2x8n s LEU 25 Cb -0.06 -2.14 -0.26 0.00 0.50 0.00 0.00 46.19 44.23 2x8n s LEU 25 CO 0.41 -0.04 0.41 0.08 -1.32 0.00 0.00 176.35 175.90 2x8n h ARG 26 N 8.16 0.27 -3.24 1.98 0.11 -1.57 -3.46 114.38 116.63 2x8n h ARG 26 Ca -0.35 -0.46 -0.02 0.00 0.10 0.00 0.00 59.98 59.24 2x8n h ARG 26 Cb 1.18 0.17 -0.11 0.00 1.11 0.00 0.00 29.97 32.33 2x8n h ARG 26 CO 0.58 1.22 0.06 -1.12 0.10 0.00 0.00 179.97 180.81 2x8n s SER 27 N -7.07 -0.33 0.03 0.08 0.01 -1.07 -4.94 113.70 100.41 2x8n s SER 27 Ca -0.22 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2x8n s SER 27 Cb 0.06 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 2x8n s SER 27 CO 0.77 -1.00 -0.04 -0.69 0.41 0.00 0.00 173.24 172.68 2x8n s VAL 28 N -3.83 0.25 -0.17 3.43 1.01 -1.26 -0.50 120.40 119.33 2x8n s VAL 28 Ca 0.06 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2x8n s VAL 28 Cb -0.01 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.99 2x8n s VAL 28 CO -0.07 -0.49 0.43 0.00 0.00 0.00 0.00 175.10 174.97 2x8n s GLN 29 N -1.62 0.47 -0.32 2.72 -2.07 -0.60 -4.97 119.66 113.26 2x8n s GLN 29 Ca -0.13 0.69 -0.25 0.00 -1.82 0.00 0.00 55.36 53.85 2x8n s GLN 29 Cb -0.09 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 31.97 2x8n s GLN 29 CO -0.01 -0.10 0.86 -0.47 -1.32 0.00 0.00 175.29 174.25 2x8n s TYR 30 N 0.73 3.17 -0.53 9.60 6.14 -1.25 -0.80 117.35 134.41 2x8n s TYR 30 Ca -0.04 0.87 -0.17 0.00 0.64 0.00 0.00 57.07 58.37 2x8n s TYR 30 Cb -0.05 -3.37 0.09 0.00 0.42 0.00 0.00 41.96 39.05 2x8n s TYR 30 CO -0.05 -0.64 0.55 1.03 0.64 0.00 0.00 175.55 177.07 2x8n s ARG 31 N 3.15 3.03 0.32 4.97 0.52 0.01 -4.95 118.95 126.01 2x8n s ARG 31 Ca 0.35 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.31 2x8n s ARG 31 Cb -0.13 -4.20 0.54 0.00 0.52 0.00 0.00 34.95 31.67 2x8n s ARG 31 CO 0.14 -1.28 1.75 0.66 0.02 0.00 0.00 175.30 176.59 2x8n h SER 32 N 8.95 0.20 -0.82 0.23 4.64 -1.95 0.13 113.55 124.93 2x8n h SER 32 Ca -0.29 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 2x8n h SER 32 Cb 1.10 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 2x8n h SER 32 CO 0.99 0.56 0.43 -0.08 -0.87 0.00 0.00 176.83 177.86 2x8n h GLU 33 N 0.17 1.17 0.00 4.77 4.57 -1.93 -2.33 114.58 121.00 2x8n h GLU 33 Ca 0.02 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 2x8n h GLU 33 Cb 0.73 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2x8n h GLU 33 CO 0.06 0.88 -0.67 0.93 -1.18 0.00 0.00 179.01 179.02 2x8n h GLU 34 N 1.17 0.00 -0.53 1.92 4.39 -1.92 -3.48 114.58 116.13 2x8n h GLU 34 Ca 0.29 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.81 2x8n h GLU 34 Cb 0.07 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 2x8n h GLU 34 CO -0.04 0.31 -0.17 0.41 -1.16 0.00 0.00 179.01 178.35 2x8n n GLY 35 N 1.23 0.95 3.35 -3.84 0.00 -0.01 -5.02 105.19 101.86 2x8n n GLY 35 Ca -0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 2x8n n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x8n s VAL 36 N -2.35 0.96 -0.18 1.61 -7.23 -0.93 -4.35 120.40 107.92 2x8n s VAL 36 Ca 0.00 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2x8n s VAL 36 Cb 0.00 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2x8n s VAL 36 CO 0.00 -0.17 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.92 2x8n s ILE 37 N -3.47 3.41 -0.42 -0.62 1.01 0.06 -0.81 121.20 120.36 2x8n s ILE 37 Ca 0.33 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 2x8n s ILE 37 Cb 0.07 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 40.06 2x8n s ILE 37 CO 0.11 0.46 0.35 -0.69 0.00 0.00 0.00 174.94 175.18 2x8n s VAL 38 N 0.94 5.20 -0.75 2.92 1.01 0.02 -2.10 120.40 127.64 2x8n s VAL 38 Ca -0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2x8n s VAL 38 Cb -0.15 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.30 2x8n s VAL 38 CO 0.00 -0.38 1.16 -0.36 0.00 0.00 0.00 175.10 175.52 2x8n s PHE 39 N 1.81 2.53 -0.35 5.22 0.08 0.59 -1.56 117.98 126.31 2x8n s PHE 39 Ca 0.07 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.39 2x8n s PHE 39 Cb -0.19 -4.47 0.01 0.00 -0.57 0.00 0.00 43.02 37.80 2x8n s PHE 39 CO 0.11 -1.85 1.18 0.42 -0.10 0.00 0.00 175.22 174.98 2x8n s ILE 40 N 4.74 4.30 0.90 0.64 1.01 0.34 -1.58 121.20 131.55 2x8n s ILE 40 Ca 0.31 1.45 -0.12 0.00 0.00 0.00 0.00 60.65 62.29 2x8n s ILE 40 Cb -0.11 -4.35 0.13 0.00 0.01 0.00 0.00 42.46 38.14 2x8n s ILE 40 CO 0.09 -0.59 1.11 -0.76 0.00 0.00 0.00 174.94 174.79 2x8n s LEU 41 N 4.13 2.07 0.62 2.97 1.43 -0.17 -1.82 118.68 127.92 2x8n s LEU 41 Ca 0.50 1.16 0.39 0.00 -1.03 0.00 0.00 54.13 55.15 2x8n s LEU 41 Cb -0.13 -3.52 2.03 0.00 0.03 0.00 0.00 46.19 44.60 2x8n s LEU 41 CO 0.22 -2.57 2.24 0.00 0.23 0.00 0.00 176.35 176.47 2x8n h ALA 42 N -1.51 1.08 -0.55 4.21 0.00 -1.36 0.13 119.26 121.26 2x8n h ALA 42 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x8n h ALA 42 Cb 1.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2x8n h ALA 42 CO 0.59 0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.14 2x8n n ASN 43 N -3.22 5.55 -0.71 0.00 0.23 -1.26 -4.93 115.26 110.92 2x8n n ASN 43 Ca -0.02 -2.90 -0.09 0.00 -0.53 0.00 0.00 54.58 51.04 2x8n n ASN 43 Cb 0.14 -0.68 -0.04 0.00 -2.08 0.00 0.00 39.78 37.12 2x8n n ASN 43 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2x8n n ASP 44 N 0.59 -4.75 -4.69 0.53 -0.08 0.45 -4.98 116.55 103.63 2x8n n ASP 44 Ca 0.27 0.23 -0.42 0.00 -1.51 0.00 0.00 54.79 53.35 2x8n n ASP 44 Cb 1.17 -3.06 -0.03 0.00 2.34 0.00 0.00 41.12 41.54 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2x8n s ARG 45 N -2.56 4.41 -0.70 -0.67 3.52 -1.25 -4.67 118.95 117.03 2x8n s ARG 45 Ca 0.00 1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 56.73 2x8n s ARG 45 Cb 0.00 -3.55 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2x8n s ARG 45 CO 0.00 -0.35 1.25 -1.21 -0.81 0.00 0.00 175.30 174.19 2x8n s GLU 46 N 2.11 3.28 -0.23 5.12 2.02 -1.26 -1.00 118.70 128.75 2x8n s GLU 46 Ca 0.48 -0.11 -0.28 0.00 0.02 0.00 0.00 54.97 55.08 2x8n s GLU 46 Cb -0.18 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.92 2x8n s GLU 46 CO 0.17 -2.02 0.98 -0.51 0.02 0.00 0.00 175.26 173.90 2x8n s LEU 47 N 5.51 4.10 -0.31 1.80 1.43 -0.62 -4.94 118.68 125.66 2x8n s LEU 47 Ca 0.37 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.78 2x8n s LEU 47 Cb -0.08 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.79 2x8n s LEU 47 CO 0.18 -0.61 0.04 -0.75 0.23 0.00 0.00 176.35 175.44 2x8n s LYS 48 N 3.01 1.36 0.01 1.70 2.20 -1.26 -0.30 119.74 126.46 2x8n s LYS 48 Ca 0.42 -1.53 0.02 0.00 -0.36 0.00 0.00 55.97 54.52 2x8n s LYS 48 Cb -0.15 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2x8n s LYS 48 CO 0.07 -0.88 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.07 2x8n s PHE 49 N 1.16 0.47 0.63 4.03 0.08 -0.89 -4.98 117.98 118.47 2x8n s PHE 49 Ca 0.07 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.74 2x8n s PHE 49 Cb -0.19 -0.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 2x8n s PHE 49 CO -0.12 -0.05 1.05 1.03 -0.10 0.00 0.00 175.22 177.04 2x8n s ARG 50 N -0.70 3.20 0.38 0.44 0.52 -1.26 -0.76 118.95 120.77 2x8n s ARG 50 Ca -0.04 1.07 0.06 0.00 -0.52 0.00 0.00 55.73 56.30 2x8n s ARG 50 Cb -0.05 -2.02 0.77 0.00 0.52 0.00 0.00 34.95 34.17 2x8n s ARG 50 CO -0.00 -0.89 1.99 -1.35 0.02 0.00 0.00 175.30 175.07 2x8n h PRO 51 N -0.05 0.68 -0.12 3.54 0.11 -1.88 -2.37 132.00 131.91 2x8n h PRO 51 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2x8n h PRO 51 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2x8n h PRO 51 CO 0.57 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2x8n n ASP 52 N -4.47 0.90 -0.07 -2.05 5.75 -1.26 -1.95 116.55 113.40 2x8n n ASP 52 Ca 0.08 -1.72 -0.22 0.00 -0.01 0.00 0.00 54.79 52.93 2x8n n ASP 52 Cb 0.17 -0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 2x8n n ASP 52 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2x8n n ASP 53 N -0.13 2.02 -4.98 -1.12 10.43 -0.89 -4.79 116.55 117.09 2x8n n ASP 53 Ca 0.12 0.17 -0.21 0.00 2.57 0.00 0.00 54.79 57.44 2x8n n ASP 53 Cb 0.18 -0.75 -0.00 0.00 1.84 0.00 0.00 41.12 42.39 2x8n n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2x8n s LEU 54 N -7.10 3.98 0.00 0.64 1.43 -1.23 -4.63 118.68 111.76 2x8n s LEU 54 Ca -0.29 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2x8n s LEU 54 Cb 0.08 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2x8n s LEU 54 CO 0.65 -0.40 0.94 1.67 0.23 0.00 0.00 176.35 179.43 2x8n n GLN 55 N -1.69 0.00 -0.06 1.70 -0.06 -0.68 -2.33 117.38 114.26 2x8n n GLN 55 Ca -0.02 0.68 -0.10 0.00 -2.00 0.00 0.00 57.00 55.57 2x8n n GLN 55 Cb 0.58 -1.44 -0.03 0.00 -4.06 0.00 0.00 30.24 25.29 2x8n n GLN 55 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2x8n h ALA 56 N -1.57 0.29 0.00 1.69 0.00 -1.86 -3.13 119.26 114.68 2x8n h ALA 56 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x8n h ALA 56 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x8n h ALA 56 CO 0.00 -0.23 -0.08 1.79 0.00 0.00 0.00 179.25 180.73 2x8n h THR 57 N 0.30 0.19 -2.92 0.00 1.35 -1.78 -3.41 112.91 106.64 2x8n h THR 57 Ca 0.08 -0.86 -0.57 0.00 -0.55 0.00 0.00 66.41 64.51 2x8n h THR 57 Cb -0.03 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.09 2x8n h THR 57 CO -0.02 0.08 1.16 -0.47 -0.25 0.00 0.00 175.52 176.03 2x8n s TYR 58 N -3.53 2.11 0.00 4.73 5.04 -0.82 -1.78 117.35 123.10 2x8n s TYR 58 Ca 0.02 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 2x8n s TYR 58 Cb 0.08 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.24 2x8n s TYR 58 CO 0.60 -2.56 0.00 0.41 -1.34 0.00 0.00 175.55 172.66 2x8n n GLY 59 N 5.10 0.67 3.74 8.97 0.00 -1.26 -5.03 105.19 117.37 2x8n n GLY 59 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2x8n n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x8n s ALA 60 N -2.22 3.33 0.66 4.61 0.00 -0.73 -5.07 121.76 122.33 2x8n s ALA 60 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 2x8n s ALA 60 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2x8n s ALA 60 CO 0.00 0.05 1.06 0.95 0.00 0.00 0.00 175.76 177.82 2x8n s THR 61 N -0.09 3.85 0.43 0.00 -4.23 -1.26 -4.88 115.64 109.45 2x8n s THR 61 Ca 0.41 0.72 0.23 0.00 -1.18 0.00 0.00 61.69 61.87 2x8n s THR 61 Cb -0.22 -3.34 0.43 0.00 1.34 0.00 0.00 72.50 70.71 2x8n s THR 61 CO 0.25 -0.67 1.76 1.55 -0.54 0.00 0.00 174.62 176.98 2x8n h PRO 62 N -0.24 0.28 -0.12 3.99 0.13 -1.97 -0.59 132.00 133.47 2x8n h PRO 62 Ca -0.45 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2x8n h PRO 62 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2x8n h PRO 62 CO 0.56 0.19 -0.58 1.05 -0.23 0.00 0.00 178.00 178.99 2x8n h GLU 63 N 0.29 0.39 0.00 0.86 4.11 -2.00 -2.42 114.58 115.81 2x8n h GLU 63 Ca 0.61 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.79 2x8n h GLU 63 Cb 1.75 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2x8n h GLU 63 CO -0.26 0.86 0.00 1.96 0.07 0.00 0.00 179.01 181.64 2x8n h GLN 64 N 0.30 0.00 -0.85 1.06 4.20 -1.49 -2.49 115.11 115.83 2x8n h GLN 64 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 2x8n h GLN 64 Cb 1.10 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.66 2x8n h GLN 64 CO 0.10 0.00 0.44 1.28 -0.67 0.00 0.00 178.83 179.98 2x8n n LEU 65 N -3.05 6.34 -0.01 1.46 4.77 -0.81 -3.92 117.00 121.78 2x8n n LEU 65 Ca 0.02 -3.43 -0.02 0.00 -0.03 0.00 0.00 56.01 52.55 2x8n n LEU 65 Cb 0.38 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2x8n n LEU 65 CO 0.29 0.94 -0.58 0.54 -1.33 0.00 0.00 177.39 177.25 2x8n n ARG 66 N -0.66 0.06 -2.50 3.23 1.74 -0.95 -3.79 116.66 113.78 2x8n n ARG 66 Ca 0.50 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 57.16 2x8n n ARG 66 Cb 1.52 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 2x8n n ARG 66 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2x8n n GLU 67 N -2.71 3.21 -5.17 5.56 1.02 -1.18 -4.92 120.64 116.45 2x8n n GLU 67 Ca -0.04 -3.31 -0.31 0.00 -0.02 0.00 0.00 57.16 53.48 2x8n n GLU 67 Cb 0.54 -3.33 -0.17 0.00 -0.02 0.00 0.00 31.44 28.47 2x8n n GLU 67 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2x8n s ILE 68 N 3.21 1.95 0.37 -3.67 1.01 -1.26 -2.03 121.20 120.77 2x8n s ILE 68 Ca 0.49 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2x8n s ILE 68 Cb 0.05 -1.67 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 2x8n s ILE 68 CO 0.03 0.54 -0.02 -0.70 0.00 0.00 0.00 174.94 174.79 2x8n s GLU 69 N 0.10 1.84 0.46 2.79 2.12 -0.51 -4.94 118.70 120.57 2x8n s GLU 69 Ca -0.10 -2.01 -0.16 0.00 0.36 0.00 0.00 54.97 53.06 2x8n s GLU 69 Cb -0.15 -1.50 -0.08 0.00 0.26 0.00 0.00 34.13 32.65 2x8n s GLU 69 CO 0.06 -0.01 0.91 0.42 -0.54 0.00 0.00 175.26 176.10 2x8n s ILE 70 N -2.79 4.57 0.67 -3.70 -1.09 -1.26 -0.95 121.20 116.64 2x8n s ILE 70 Ca 0.34 1.12 -0.17 0.00 -2.23 0.00 0.00 60.65 59.71 2x8n s ILE 70 Cb 0.07 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2x8n s ILE 70 CO 0.17 -0.55 0.88 -1.54 -1.23 0.00 0.00 174.94 172.67 2x8n n SER 71 N -1.25 0.25 0.30 3.58 3.41 -0.90 -3.94 113.62 115.07 2x8n n SER 71 Ca 0.06 0.71 0.16 0.00 -0.26 0.00 0.00 58.87 59.54 2x8n n SER 71 Cb 0.54 -1.36 0.93 0.00 -0.26 0.00 0.00 64.21 64.06 2x8n n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2x8n h PRO 72 N 0.05 0.00 -0.08 4.33 0.13 -1.93 -0.90 132.00 133.59 2x8n h PRO 72 Ca -0.48 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.41 2x8n h PRO 72 Cb 1.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.50 2x8n h PRO 72 CO 0.48 0.03 -0.90 1.03 -0.23 0.00 0.00 178.00 178.41 2x8n h SER 73 N 0.00 0.92 0.00 1.44 0.87 -1.96 -3.48 113.55 111.34 2x8n h SER 73 Ca -0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2x8n h SER 73 Cb 0.10 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2x8n h SER 73 CO 0.00 1.47 0.00 0.61 -0.53 0.00 0.00 176.83 178.38 2x8n n GLY 74 N 0.87 0.18 0.00 5.77 0.00 -0.34 -4.95 105.19 106.72 2x8n n GLY 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2x8n n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x8n n LEU 75 N 0.00 0.77 0.00 0.99 4.77 -1.26 -3.50 117.00 118.77 2x8n n LEU 75 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2x8n n LEU 75 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2x8n n LEU 75 CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2x8n n GLY 76 N 0.44 0.74 3.21 -0.72 0.00 -1.26 -1.87 105.19 105.73 2x8n n GLY 76 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 2x8n n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x8n s VAL 77 N 2.55 1.20 -0.26 1.61 0.11 -0.53 -2.13 120.40 122.96 2x8n s VAL 77 Ca 0.00 -1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 57.46 2x8n s VAL 77 Cb 0.00 -1.37 0.08 0.00 -1.53 0.00 0.00 36.38 33.56 2x8n s VAL 77 CO 0.00 -0.39 0.03 -0.47 -3.33 0.00 0.00 175.10 170.95 2x8n s TYR 78 N -1.94 1.84 -0.06 1.54 6.14 -0.13 -2.16 117.35 122.58 2x8n s TYR 78 Ca 0.05 -1.57 -0.30 0.00 0.64 0.00 0.00 57.07 55.89 2x8n s TYR 78 Cb -0.06 -1.56 -0.02 0.00 0.42 0.00 0.00 41.96 40.74 2x8n s TYR 78 CO 0.02 -0.78 1.05 -0.06 0.64 0.00 0.00 175.55 176.43 2x8n s PHE 79 N 1.58 3.47 -0.04 4.97 0.08 0.30 -1.42 117.98 126.92 2x8n s PHE 79 Ca 0.02 1.52 -0.23 0.00 0.12 0.00 0.00 56.93 58.36 2x8n s PHE 79 Cb -0.18 -3.24 -0.24 0.00 -0.57 0.00 0.00 43.02 38.79 2x8n s PHE 79 CO -0.14 -0.47 1.03 1.49 -0.10 0.00 0.00 175.22 177.03 2x8n h GLU 80 N 7.09 0.25 -0.52 0.44 4.57 -1.71 -1.05 114.58 123.65 2x8n h GLU 80 Ca -0.34 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.52 2x8n h GLU 80 Cb 1.17 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2x8n h GLU 80 CO 0.84 1.00 0.18 1.15 -1.18 0.00 0.00 179.01 180.99 2x8n h THR 81 N -0.38 1.20 -0.00 0.32 2.02 -1.83 -2.68 112.91 111.56 2x8n h THR 81 Ca -0.05 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2x8n h THR 81 Cb 1.14 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2x8n h THR 81 CO 0.08 0.26 -0.74 0.00 0.37 0.00 0.00 175.52 175.49 2x8n n LEU 82 N -4.32 1.08 -2.99 2.58 -0.00 -1.25 -5.00 117.00 107.10 2x8n n LEU 82 Ca 0.04 -0.56 -0.22 0.00 -0.00 0.00 0.00 56.01 55.26 2x8n n LEU 82 Cb 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.63 2x8n n LEU 82 CO 0.39 0.24 -0.03 -0.62 -0.00 0.00 0.00 177.39 177.37 2x8n n GLU 83 N -1.10 -4.46 -4.83 1.47 1.02 -0.44 -4.98 120.64 107.32 2x8n n GLU 83 Ca 0.04 0.87 -0.31 0.00 -0.02 0.00 0.00 57.16 57.75 2x8n n GLU 83 Cb 0.31 -5.71 -0.14 0.00 -0.02 0.00 0.00 31.44 25.89 2x8n n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2x8n s GLU 84 N -5.67 2.09 -0.13 3.49 0.41 -0.93 -4.95 118.70 113.00 2x8n s GLU 84 Ca 0.28 -0.96 -0.01 0.00 -0.41 0.00 0.00 54.97 53.88 2x8n s GLU 84 Cb -0.13 -2.16 -0.02 0.00 -1.78 0.00 0.00 34.13 30.05 2x8n s GLU 84 CO 0.35 0.55 -0.12 0.34 -0.49 0.00 0.00 175.26 175.89 2x8n s ASP 85 N -1.19 4.13 -0.38 -0.19 -1.08 -1.26 -0.54 116.67 116.16 2x8n s ASP 85 Ca 0.13 -0.29 -0.06 0.00 -0.52 0.00 0.00 52.55 51.80 2x8n s ASP 85 Cb -0.10 -1.62 0.07 0.00 -1.46 0.00 0.00 42.92 39.81 2x8n s ASP 85 CO 0.03 0.17 0.18 -0.69 0.52 0.00 0.00 175.17 175.38 2x8n s VAL 86 N 0.32 3.80 0.10 1.11 1.01 -0.92 -4.70 120.40 121.12 2x8n s VAL 86 Ca -0.09 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.11 2x8n s VAL 86 Cb -0.16 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2x8n s VAL 86 CO 0.05 -0.42 1.59 -0.44 0.00 0.00 0.00 175.10 175.88 2x8n s SER 87 N 1.79 6.63 0.17 3.32 0.01 -1.26 -1.45 113.70 122.91 2x8n s SER 87 Ca 0.02 2.50 -0.14 0.00 1.31 0.00 0.00 55.95 59.64 2x8n s SER 87 Cb -0.22 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.51 2x8n s SER 87 CO 0.01 -0.84 1.82 0.25 0.41 0.00 0.00 173.24 174.89 2x8n h LEU 88 N 7.79 0.52 -1.09 2.44 5.85 -1.89 -2.30 115.31 126.63 2x8n h LEU 88 Ca -0.42 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.34 2x8n h LEU 88 Cb 1.20 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2x8n h LEU 88 CO 0.92 0.37 0.62 0.40 -0.34 0.00 0.00 178.44 180.40 2x8n h ILE 89 N 0.62 1.12 -0.53 4.05 1.08 -1.92 -1.04 117.51 120.89 2x8n h ILE 89 Ca 0.19 -0.39 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2x8n h ILE 89 Cb -0.02 -0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.56 2x8n h ILE 89 CO -0.07 0.21 0.26 1.23 -0.69 0.00 0.00 178.15 179.09 2x8n h GLY 90 N 1.14 0.74 1.26 5.37 0.00 -1.67 -0.60 103.07 109.31 2x8n h GLY 90 Ca 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 2x8n h GLY 90 CO -0.14 0.11 0.25 1.41 0.00 0.00 0.00 176.54 178.17 2x8n h LEU 91 N 0.51 0.86 -0.79 3.11 3.38 -1.00 0.24 115.31 121.63 2x8n h LEU 91 Ca 0.24 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2x8n h LEU 91 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2x8n h LEU 91 CO -0.17 0.78 -0.34 -0.07 0.09 0.00 0.00 178.44 178.72 2x8n h LEU 92 N 0.93 0.54 0.00 1.67 3.38 -0.83 -2.80 115.31 118.19 2x8n h LEU 92 Ca 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x8n h LEU 92 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2x8n h LEU 92 CO -0.02 0.84 -0.06 -0.33 0.09 0.00 0.00 178.44 178.96 2x8n h GLU 93 N 0.44 0.00 0.00 1.13 4.39 -0.64 -3.47 114.58 116.43 2x8n h GLU 93 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2x8n h GLU 93 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2x8n h GLU 93 CO 0.07 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 2x8n n GLY 94 N 1.24 0.94 3.56 -3.84 0.00 -0.21 -5.01 105.19 101.87 2x8n n GLY 94 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2x8n n GLY 94 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x8n s ARG 95 N -0.56 2.78 0.22 1.61 3.52 0.68 -4.84 118.95 122.37 2x8n s ARG 95 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2x8n s ARG 95 Cb 0.00 -4.90 0.21 0.00 -1.56 0.00 0.00 34.95 28.69 2x8n s ARG 95 CO 0.00 -2.96 1.56 0.00 -0.81 0.00 0.00 175.30 173.09 2x8n h ARG 96 N 11.77 0.45 -4.83 5.12 3.08 -1.88 -3.31 114.38 124.78 2x8n h ARG 96 Ca 0.01 -0.27 -0.41 0.00 0.07 0.00 0.00 59.98 59.38 2x8n h ARG 96 Cb 1.04 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 2x8n h ARG 96 CO 1.25 0.86 -0.53 0.20 -1.07 0.00 0.00 179.97 180.68 2x8n s GLY 97 N -4.16 2.11 0.78 0.04 0.00 -1.26 -1.69 107.32 103.13 2x8n s GLY 97 Ca -0.06 -1.93 -0.14 0.00 0.00 0.00 0.00 44.72 42.58 2x8n s GLY 97 CO 0.82 -1.48 1.08 1.44 0.00 0.00 0.00 173.10 174.96 2x8n n SER 98 N -1.19 0.71 -0.33 1.64 7.64 -1.26 -4.70 113.62 116.13 2x8n n SER 98 Ca 0.05 0.62 0.04 0.00 1.01 0.00 0.00 58.87 60.59 2x8n n SER 98 Cb 0.63 -1.46 0.23 0.00 -1.01 0.00 0.00 64.21 62.60 2x8n n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x8n h ALA 99 N -0.62 1.49 -0.00 -0.43 0.00 -1.99 -0.46 119.26 117.24 2x8n h ALA 99 Ca -0.47 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2x8n h ALA 99 Cb 1.31 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2x8n h ALA 99 CO 0.46 0.35 -0.18 -0.22 0.00 0.00 0.00 179.25 179.66 2x8n h LYS 100 N 1.06 -0.27 -0.07 0.00 3.64 -1.99 -2.31 116.57 116.61 2x8n h LYS 100 Ca 0.42 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2x8n h LYS 100 Cb 0.25 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2x8n h LYS 100 CO -0.17 -0.18 0.05 2.35 -2.27 0.00 0.00 179.45 179.22 2x8n h TRP 101 N -0.28 0.10 0.00 1.91 7.01 -1.52 -1.16 115.95 122.00 2x8n h TRP 101 Ca 0.06 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2x8n h TRP 101 Cb 0.36 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2x8n h TRP 101 CO -0.23 0.08 -0.09 0.52 -2.79 0.00 0.00 178.44 175.94 2x8n h MET 102 N 0.08 0.00 0.18 2.65 2.86 -1.16 0.26 114.93 119.80 2x8n h MET 102 Ca 0.03 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.35 2x8n h MET 102 Cb 0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2x8n h MET 102 CO -0.01 0.09 -1.52 0.00 1.06 0.00 0.00 176.91 176.53 2x8n h ALA 103 N 1.91 0.08 -0.01 6.32 0.00 -1.08 -3.33 119.26 123.16 2x8n h ALA 103 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2x8n h ALA 103 Cb 0.58 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2x8n h ALA 103 CO 0.01 0.85 -0.57 0.39 0.00 0.00 0.00 179.25 179.92 2x8n n GLU 104 N -3.76 0.67 -3.47 0.00 1.02 -0.47 -4.36 120.64 110.27 2x8n n GLU 104 Ca -0.22 -0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 56.14 2x8n n GLU 104 Cb 1.01 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 2x8n n GLU 104 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2x8n n HIS 105 N -0.72 0.06 -1.67 -0.32 8.25 0.91 -5.05 115.22 116.68 2x8n n HIS 105 Ca 0.08 -3.55 -0.47 0.00 -0.26 0.00 0.00 57.72 53.53 2x8n n HIS 105 Cb 0.39 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 2x8n n HIS 105 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2x8n n PRO 106 N 2.48 2.20 -2.58 -0.41 -0.02 -1.25 -4.35 135.00 131.06 2x8n n PRO 106 Ca 0.27 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 62.14 2x8n n PRO 106 Cb 0.46 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 2x8n n PRO 106 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2x8n s LEU 107 N 2.08 4.55 -1.14 2.45 2.96 -1.26 -4.96 118.68 123.36 2x8n s LEU 107 Ca 0.84 2.08 -0.21 0.00 -0.22 0.00 0.00 54.13 56.62 2x8n s LEU 107 Cb -0.67 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.42 2x8n s LEU 107 CO 0.42 -0.10 1.74 0.00 -1.32 0.00 0.00 176.35 177.10 2x8n s ALA 108 N -0.70 2.55 0.00 5.97 0.00 -1.26 -5.21 121.76 123.10 2x8n s ALA 108 Ca 0.46 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2x8n s ALA 108 Cb -0.29 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.22 2x8n s ALA 108 CO 0.36 -4.07 0.00 0.43 0.00 0.00 0.00 175.76 172.48