#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n n GLU 2 N 0.00 2.53 -2.41 0.03 0.00 -1.26 -4.92 120.64 114.61 2x8n n GLU 2 Ca 0.00 0.89 -0.38 0.00 0.00 0.00 0.00 57.16 57.67 2x8n n GLU 2 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 31.44 28.82 2x8n n GLU 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2x8n s VAL 3 N -0.83 3.86 0.21 3.84 1.01 -1.26 -4.88 120.40 122.35 2x8n s VAL 3 Ca 0.57 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2x8n s VAL 3 Cb -0.51 -4.88 -0.01 0.00 0.00 0.00 0.00 36.38 30.98 2x8n s VAL 3 CO 0.60 -1.67 0.38 -0.44 0.00 0.00 0.00 175.10 173.96 2x8n s SER 4 N 5.40 -0.03 -0.30 3.32 0.01 -1.26 -5.17 113.70 115.67 2x8n s SER 4 Ca 0.56 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 2x8n s SER 4 Cb 0.00 0.51 0.17 0.00 0.21 0.00 0.00 66.02 66.92 2x8n s SER 4 CO 0.01 -1.02 0.72 0.00 0.41 0.00 0.00 173.24 173.37 2x8n s ALA 5 N -4.02 -2.42 0.00 1.44 0.00 -1.26 -5.04 121.76 110.47 2x8n s ALA 5 Ca 0.22 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2x8n s ALA 5 Cb 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2x8n s ALA 5 CO 0.06 -1.19 0.00 -1.71 0.00 0.00 0.00 175.76 172.92 2x8n n ASN 6 N 5.39 0.00 0.32 0.00 2.85 -1.26 -4.51 115.26 118.04 2x8n n ASN 6 Ca -0.06 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.60 2x8n n ASN 6 Cb 0.51 0.00 1.06 0.00 1.24 0.00 0.00 39.78 42.59 2x8n n ASN 6 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2x8n h GLU 7 N 0.00 0.00 -0.01 1.20 -0.00 -2.04 -1.46 114.58 112.27 2x8n h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2x8n h GLU 7 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2x8n h GLU 7 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 179.01 180.38 2x8n h LEU 8 N 0.00 0.00 1.84 3.06 8.10 -1.97 -3.46 115.31 122.88 2x8n h LEU 8 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.89 2x8n h LEU 8 Cb 0.02 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.22 2x8n h LEU 8 CO -0.00 0.00 -0.12 -1.84 -4.11 0.00 0.00 178.44 172.37 2x8n n GLU 9 N -4.09 -2.16 0.33 0.17 0.28 -0.55 -4.86 120.64 109.75 2x8n n GLU 9 Ca -0.03 0.27 -0.15 0.00 -0.16 0.00 0.00 57.16 57.09 2x8n n GLU 9 Cb 0.09 -4.67 -0.08 0.00 1.43 0.00 0.00 31.44 28.22 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 1.17 -1.18 -0.49 -1.84 0.00 -1.90 -0.42 119.26 114.59 2x8n h ALA 10 Ca -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2x8n h ALA 10 Cb 0.84 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2x8n h ALA 10 CO 0.15 -1.15 0.28 0.00 0.00 0.00 0.00 179.25 178.52 2x8n h ALA 11 N -1.33 1.56 -0.18 0.00 0.00 -1.99 -0.47 119.26 116.86 2x8n h ALA 11 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2x8n h ALA 11 Cb 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2x8n h ALA 11 CO 0.07 0.37 -0.12 1.03 0.00 0.00 0.00 179.25 180.60 2x8n h SER 12 N 0.68 0.42 -0.53 0.00 0.87 -1.91 -2.63 113.55 110.45 2x8n h SER 12 Ca 0.18 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2x8n h SER 12 Cb 0.00 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2x8n h SER 12 CO -0.03 0.77 0.23 0.28 -0.53 0.00 0.00 176.83 177.55 2x8n h SER 13 N 0.07 0.74 0.78 6.23 0.02 -0.58 -2.80 113.55 118.01 2x8n h SER 13 Ca 0.04 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2x8n h SER 13 Cb 0.63 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2x8n h SER 13 CO 0.03 0.66 -0.45 0.03 -1.14 0.00 0.00 176.83 175.97 2x8n h ARG 14 N 0.81 -1.10 -0.72 3.45 2.47 -1.00 -1.41 114.38 116.87 2x8n h ARG 14 Ca 0.19 0.07 0.15 0.00 -1.26 0.00 0.00 59.98 59.14 2x8n h ARG 14 Cb 0.15 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 28.62 2x8n h ARG 14 CO -0.02 -0.73 0.22 0.52 0.56 0.00 0.00 179.97 180.52 2x8n h MET 15 N -1.14 0.33 -0.18 0.04 2.86 -1.30 0.29 114.93 115.82 2x8n h MET 15 Ca -0.10 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2x8n h MET 15 Cb 0.91 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2x8n h MET 15 CO 0.12 0.22 0.05 0.93 1.06 0.00 0.00 176.91 179.29 2x8n h GLU 16 N 0.34 0.28 0.00 1.72 5.08 -1.47 -2.64 114.58 117.88 2x8n h GLU 16 Ca 0.40 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2x8n h GLU 16 Cb 0.65 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2x8n h GLU 16 CO -0.45 0.41 -0.27 0.52 -1.00 0.00 0.00 179.01 178.22 2x8n h MET 17 N 0.11 0.00 0.00 2.33 2.86 -0.10 -2.54 114.93 117.59 2x8n h MET 17 Ca 0.06 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 2x8n h MET 17 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2x8n h MET 17 CO -0.00 0.27 -0.72 -0.07 1.06 0.00 0.00 176.91 177.45 2x8n h LEU 18 N 0.00 0.00 -0.13 1.22 3.38 -0.33 0.17 115.31 119.62 2x8n h LEU 18 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2x8n h LEU 18 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2x8n h LEU 18 CO 0.04 0.72 0.06 1.56 0.09 0.00 0.00 178.44 180.90 2x8n h GLN 19 N 0.00 0.20 0.00 1.13 4.20 -1.09 -1.97 115.11 117.58 2x8n h GLN 19 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2x8n h GLN 19 Cb 1.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2x8n h GLN 19 CO 0.09 0.27 -0.11 0.07 -0.67 0.00 0.00 178.83 178.49 2x8n h ARG 20 N 0.07 0.00 0.00 1.46 0.11 -1.45 -3.21 114.38 111.36 2x8n h ARG 20 Ca 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2x8n h ARG 20 Cb 0.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 2x8n h ARG 20 CO -0.00 0.00 -0.00 1.49 0.10 0.00 0.00 179.97 181.55 2x8n h GLU 21 N 0.00 0.00 0.00 0.08 4.57 -0.61 -3.46 114.58 115.16 2x8n h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2x8n h GLU 21 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2x8n h GLU 21 CO 0.00 0.12 0.00 0.66 -1.18 0.00 0.00 179.01 178.61 2x8n n TYR 22 N -4.76 0.00 -3.78 0.92 4.02 -0.74 -5.07 117.16 107.75 2x8n n TYR 22 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 2x8n n TYR 22 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.37 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 -0.16 0.14 7.72 0.01 -1.21 -5.00 113.70 114.20 2x8n s SER 23 Ca 0.00 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.84 2x8n s SER 23 Cb 0.00 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 2x8n s SER 23 CO 0.00 -0.98 0.09 0.42 0.41 0.00 0.00 173.24 173.19 2x8n s THR 24 N -3.23 4.34 -0.16 1.44 -4.23 -1.26 -4.51 115.64 108.03 2x8n s THR 24 Ca 0.13 -1.07 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 2x8n s THR 24 Cb -0.02 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 2x8n s THR 24 CO 0.03 -0.05 0.92 -0.22 -0.54 0.00 0.00 174.62 174.76 2x8n s LEU 25 N -2.89 4.18 -0.20 4.79 2.96 -0.62 -1.35 118.68 125.55 2x8n s LEU 25 Ca 0.30 1.31 -0.02 0.00 -0.22 0.00 0.00 54.13 55.50 2x8n s LEU 25 Cb -0.10 -3.38 -0.21 0.00 0.50 0.00 0.00 46.19 43.00 2x8n s LEU 25 CO 0.22 -0.47 0.01 -2.11 -1.32 0.00 0.00 176.35 172.69 2x8n n ARG 26 N 5.39 0.69 -3.74 1.98 1.85 -0.84 -4.91 116.66 117.08 2x8n n ARG 26 Ca 0.07 0.20 -0.10 0.00 -1.00 0.00 0.00 57.85 57.02 2x8n n ARG 26 Cb 0.48 -1.60 -0.06 0.00 -1.05 0.00 0.00 32.46 30.24 2x8n n ARG 26 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2x8n s SER 27 N -6.75 -0.09 -0.00 2.89 0.01 -0.97 -4.99 113.70 103.80 2x8n s SER 27 Ca -0.30 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.48 2x8n s SER 27 Cb 0.08 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.74 2x8n s SER 27 CO 0.67 -0.82 -0.03 -0.69 0.41 0.00 0.00 173.24 172.78 2x8n s VAL 28 N -3.84 0.21 -0.20 3.43 1.01 -1.26 -0.67 120.40 119.08 2x8n s VAL 28 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2x8n s VAL 28 Cb 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 36.38 36.28 2x8n s VAL 28 CO -0.10 0.04 0.01 0.00 0.00 0.00 0.00 175.10 175.05 2x8n s GLN 29 N -0.11 0.91 -0.46 2.72 -2.07 -0.42 -4.98 119.66 115.25 2x8n s GLN 29 Ca 0.01 -0.54 -0.28 0.00 -1.82 0.00 0.00 55.36 52.72 2x8n s GLN 29 Cb -0.01 -2.18 0.01 0.00 -1.09 0.00 0.00 33.01 29.74 2x8n s GLN 29 CO -0.00 -0.61 1.42 -0.47 -1.32 0.00 0.00 175.29 174.31 2x8n s TYR 30 N 1.75 2.36 -0.55 9.60 6.14 -1.26 -1.29 117.35 134.09 2x8n s TYR 30 Ca -0.02 0.62 -0.22 0.00 0.64 0.00 0.00 57.07 58.09 2x8n s TYR 30 Cb -0.17 -4.34 0.05 0.00 0.42 0.00 0.00 41.96 37.93 2x8n s TYR 30 CO -0.07 -1.97 0.83 1.03 0.64 0.00 0.00 175.55 176.00 2x8n s ARG 31 N 5.14 3.21 0.50 4.97 0.52 -0.01 -4.90 118.95 128.37 2x8n s ARG 31 Ca 0.59 -0.62 0.23 0.00 -0.52 0.00 0.00 55.73 55.40 2x8n s ARG 31 Cb -0.13 -4.11 1.30 0.00 0.52 0.00 0.00 34.95 32.54 2x8n s ARG 31 CO 0.30 -1.45 2.05 1.03 0.02 0.00 0.00 175.30 177.25 2x8n h SER 32 N 9.24 0.00 0.06 0.23 0.87 -1.94 0.17 113.55 122.18 2x8n h SER 32 Ca -0.27 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2x8n h SER 32 Cb 1.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2x8n h SER 32 CO 1.06 0.14 -0.27 -0.08 -0.53 0.00 0.00 176.83 177.15 2x8n h GLU 33 N 0.00 -0.43 0.00 2.24 4.57 -1.95 -3.15 114.58 115.86 2x8n h GLU 33 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2x8n h GLU 33 Cb 0.32 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2x8n h GLU 33 CO 0.02 -0.29 -0.84 0.39 -1.18 0.00 0.00 179.01 177.12 2x8n n GLU 34 N -5.38 0.26 -2.69 1.92 -0.58 -1.10 -4.96 120.64 108.11 2x8n n GLU 34 Ca -0.06 0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 2x8n n GLU 34 Cb 0.30 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.57 2x8n n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x8n n GLY 35 N 1.37 -0.18 3.24 0.62 0.00 0.54 -5.03 105.19 105.75 2x8n n GLY 35 Ca 0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.94 1.24 -0.38 1.61 -7.23 -0.85 -4.34 120.40 107.52 2x8n s VAL 36 Ca 0.17 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.36 2x8n s VAL 36 Cb -0.08 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2x8n s VAL 36 CO 0.21 -0.54 0.38 -0.63 -0.31 0.00 0.00 175.10 174.21 2x8n s ILE 37 N -2.55 5.15 -0.40 -0.62 1.01 0.29 -0.83 121.20 123.25 2x8n s ILE 37 Ca 0.11 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2x8n s ILE 37 Cb -0.02 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2x8n s ILE 37 CO 0.02 -0.25 0.41 -0.69 0.00 0.00 0.00 174.94 174.43 2x8n s VAL 38 N 2.02 5.12 -0.61 2.92 1.01 -0.41 -2.55 120.40 127.89 2x8n s VAL 38 Ca 0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 2x8n s VAL 38 Cb -0.17 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.30 2x8n s VAL 38 CO 0.12 -0.32 0.89 -0.36 0.00 0.00 0.00 175.10 175.43 2x8n s PHE 39 N 2.09 2.78 -0.28 5.22 0.08 -0.03 -1.30 117.98 126.54 2x8n s PHE 39 Ca 0.12 -0.46 -0.28 0.00 0.12 0.00 0.00 56.93 56.44 2x8n s PHE 39 Cb -0.17 -4.11 0.01 0.00 -0.57 0.00 0.00 43.02 38.18 2x8n s PHE 39 CO 0.13 -1.46 0.99 0.42 -0.10 0.00 0.00 175.22 175.19 2x8n s ILE 40 N 3.72 4.65 0.73 0.64 1.01 0.16 -1.26 121.20 130.85 2x8n s ILE 40 Ca 0.22 1.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.52 2x8n s ILE 40 Cb -0.17 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.07 2x8n s ILE 40 CO 0.12 -0.29 1.05 -0.76 0.00 0.00 0.00 174.94 175.06 2x8n s LEU 41 N 3.29 2.77 0.02 2.97 1.43 -0.04 -2.00 118.68 127.13 2x8n s LEU 41 Ca 0.42 0.47 0.12 0.00 -1.03 0.00 0.00 54.13 54.10 2x8n s LEU 41 Cb -0.14 -3.06 0.52 0.00 0.03 0.00 0.00 46.19 43.54 2x8n s LEU 41 CO 0.11 -1.70 1.38 0.00 0.23 0.00 0.00 176.35 176.37 2x8n n ALA 42 N -3.01 1.52 -0.64 4.21 0.00 -0.46 -0.84 120.51 121.28 2x8n n ALA 42 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2x8n n ALA 42 Cb 0.60 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 19.13 2x8n n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2x8n n ASN 43 N -1.55 4.01 -0.36 0.00 0.23 -1.26 -4.96 115.26 111.37 2x8n n ASN 43 Ca 0.03 -2.54 -0.05 0.00 -0.53 0.00 0.00 54.58 51.48 2x8n n ASN 43 Cb 0.14 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.34 2x8n n ASN 43 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2x8n n ASP 44 N 0.37 -4.56 -4.66 0.53 8.00 -0.02 -4.99 116.55 111.22 2x8n n ASP 44 Ca 0.20 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 2x8n n ASP 44 Cb 0.78 -2.48 -0.02 0.00 -0.02 0.00 0.00 41.12 39.38 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2x8n s ARG 45 N -1.88 4.22 -0.61 -1.24 3.52 -1.26 -4.63 118.95 117.08 2x8n s ARG 45 Ca 0.00 1.74 -0.20 0.00 -0.13 0.00 0.00 55.73 57.14 2x8n s ARG 45 Cb 0.00 -3.80 0.09 0.00 -1.56 0.00 0.00 34.95 29.68 2x8n s ARG 45 CO 0.00 -0.73 0.80 -1.21 -0.81 0.00 0.00 175.30 173.36 2x8n s GLU 46 N 3.58 3.08 -0.36 5.12 2.02 -1.26 -0.86 118.70 130.02 2x8n s GLU 46 Ca 0.58 -1.07 -0.28 0.00 0.02 0.00 0.00 54.97 54.21 2x8n s GLU 46 Cb -0.23 -4.23 0.02 0.00 0.10 0.00 0.00 34.13 29.78 2x8n s GLU 46 CO 0.17 -1.62 1.06 -0.51 0.02 0.00 0.00 175.26 174.38 2x8n s LEU 47 N 3.25 3.89 -0.42 1.80 1.43 -0.39 -4.87 118.68 123.36 2x8n s LEU 47 Ca 0.16 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 2x8n s LEU 47 Cb -0.21 -3.49 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2x8n s LEU 47 CO 0.09 -0.95 0.26 -0.75 0.23 0.00 0.00 176.35 175.23 2x8n s LYS 48 N 3.77 2.47 0.02 1.70 2.20 -1.26 -0.86 119.74 127.79 2x8n s LYS 48 Ca 0.44 -1.57 0.03 0.00 -0.36 0.00 0.00 55.97 54.51 2x8n s LYS 48 Cb -0.11 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2x8n s LYS 48 CO 0.19 -1.01 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.02 2x8n s PHE 49 N 1.36 0.84 0.58 4.03 0.08 -1.06 -5.01 117.98 118.79 2x8n s PHE 49 Ca 0.04 -0.29 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2x8n s PHE 49 Cb -0.24 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2x8n s PHE 49 CO 0.00 -0.01 1.01 1.03 -0.10 0.00 0.00 175.22 177.15 2x8n s ARG 50 N -0.82 3.72 0.27 0.44 0.52 -1.26 -0.55 118.95 121.27 2x8n s ARG 50 Ca -0.01 0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 56.04 2x8n s ARG 50 Cb -0.06 -2.10 0.43 0.00 0.52 0.00 0.00 34.95 33.74 2x8n s ARG 50 CO 0.00 -0.46 1.89 -1.35 0.02 0.00 0.00 175.30 175.40 2x8n h PRO 51 N 0.21 1.12 0.00 3.54 0.11 -1.85 -2.36 132.00 132.77 2x8n h PRO 51 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2x8n h PRO 51 Cb 1.19 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2x8n h PRO 51 CO 0.62 0.74 0.00 -0.25 -0.21 0.00 0.00 178.00 178.90 2x8n n ASP 52 N -4.49 0.35 0.04 -2.05 8.00 -1.26 -2.50 116.55 114.65 2x8n n ASP 52 Ca 0.15 0.57 -0.22 0.00 0.71 0.00 0.00 54.79 55.99 2x8n n ASP 52 Cb 0.17 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 2x8n n ASP 52 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2x8n h ASP 53 N 0.00 0.52 -3.31 -2.24 3.58 -1.79 -3.48 116.42 109.70 2x8n h ASP 53 Ca 0.00 -0.92 -0.56 0.00 0.42 0.00 0.00 57.03 55.97 2x8n h ASP 53 Cb 0.42 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2x8n h ASP 53 CO 0.00 1.76 -0.17 -0.76 -2.88 0.00 0.00 179.24 177.19 2x8n s LEU 54 N -7.32 4.24 0.13 2.28 1.43 -1.04 -4.86 118.68 113.54 2x8n s LEU 54 Ca -0.18 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 53.60 2x8n s LEU 54 Cb 0.05 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 2x8n s LEU 54 CO 0.81 0.02 1.71 -0.61 0.23 0.00 0.00 176.35 178.51 2x8n h GLN 55 N 2.92 0.52 -0.51 1.70 4.15 -1.71 -2.31 115.11 119.87 2x8n h GLN 55 Ca -0.47 -0.08 0.14 0.00 0.77 0.00 0.00 58.65 59.02 2x8n h GLN 55 Cb 1.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2x8n h GLN 55 CO 0.69 0.47 0.37 0.00 -1.93 0.00 0.00 178.83 178.42 2x8n h ALA 56 N 1.03 2.46 0.00 3.38 0.00 -1.82 -3.13 119.26 121.17 2x8n h ALA 56 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x8n h ALA 56 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2x8n h ALA 56 CO -0.02 -0.60 -0.25 0.25 0.00 0.00 0.00 179.25 178.64 2x8n n THR 57 N -4.39 0.67 -2.13 0.00 -2.24 -1.19 -4.88 114.28 100.12 2x8n n THR 57 Ca 0.09 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 2x8n n THR 57 Cb 0.57 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2x8n n THR 57 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2x8n s TYR 58 N -0.98 1.96 0.00 4.78 5.04 -0.88 -1.74 117.35 125.53 2x8n s TYR 58 Ca 0.10 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2x8n s TYR 58 Cb 0.09 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.27 2x8n s TYR 58 CO 0.01 -1.62 0.00 0.41 -1.34 0.00 0.00 175.55 173.01 2x8n n GLY 59 N 6.50 0.95 3.86 8.97 0.00 -1.26 -5.04 105.19 119.18 2x8n n GLY 59 Ca 0.41 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 3.51 0.39 4.61 0.00 -0.71 -5.09 121.76 122.48 2x8n s ALA 60 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 2x8n s ALA 60 Cb 0.00 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 2x8n s ALA 60 CO 0.00 0.46 0.97 0.95 0.00 0.00 0.00 175.76 178.14 2x8n s THR 61 N -1.79 4.20 0.39 0.00 -4.23 -1.26 -4.98 115.64 107.97 2x8n s THR 61 Ca 0.47 1.56 0.14 0.00 -1.18 0.00 0.00 61.69 62.68 2x8n s THR 61 Cb -0.12 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.33 2x8n s THR 61 CO 0.20 -0.11 1.87 1.55 -0.54 0.00 0.00 174.62 177.59 2x8n h PRO 62 N 2.41 0.51 -0.80 3.99 0.13 -1.98 -2.10 132.00 134.17 2x8n h PRO 62 Ca -0.48 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2x8n h PRO 62 Cb 1.19 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2x8n h PRO 62 CO 0.62 0.34 0.33 1.05 -0.23 0.00 0.00 178.00 180.11 2x8n h GLU 63 N 0.53 1.18 0.00 0.86 9.09 -2.01 -1.82 114.58 122.40 2x8n h GLU 63 Ca 0.45 -0.20 -0.03 0.00 0.05 0.00 0.00 59.36 59.62 2x8n h GLU 63 Cb 0.94 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2x8n h GLU 63 CO -0.19 0.94 -0.14 1.96 0.05 0.00 0.00 179.01 181.63 2x8n h GLN 64 N 1.15 0.00 -0.62 1.06 4.20 -1.73 -2.25 115.11 116.92 2x8n h GLN 64 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2x8n h GLN 64 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2x8n h GLN 64 CO -0.02 0.14 0.00 1.28 -0.67 0.00 0.00 178.83 179.56 2x8n n LEU 65 N -3.55 3.67 -0.11 1.46 4.77 -0.72 -3.72 117.00 118.80 2x8n n LEU 65 Ca -0.01 -1.84 -0.22 0.00 -0.03 0.00 0.00 56.01 53.90 2x8n n LEU 65 Cb 0.28 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 2x8n n LEU 65 CO 0.31 0.75 -1.22 0.54 -1.33 0.00 0.00 177.39 176.43 2x8n n ARG 66 N 1.08 0.65 -2.90 3.23 1.74 -0.85 -4.23 116.66 115.39 2x8n n ARG 66 Ca 0.21 0.23 -0.43 0.00 -0.77 0.00 0.00 57.85 57.08 2x8n n ARG 66 Cb 0.64 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 2x8n n ARG 66 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2x8n s GLU 67 N -2.51 3.39 0.04 5.56 -1.05 -1.21 -5.00 118.70 117.93 2x8n s GLU 67 Ca -0.33 -1.38 0.05 0.00 -0.15 0.00 0.00 54.97 53.16 2x8n s GLU 67 Cb 0.10 -4.65 -0.02 0.00 -0.44 0.00 0.00 34.13 29.12 2x8n s GLU 67 CO 0.60 -1.79 -0.14 0.42 0.95 0.00 0.00 175.26 175.30 2x8n s ILE 68 N 3.27 1.11 0.21 1.83 1.01 -1.26 -4.52 121.20 122.85 2x8n s ILE 68 Ca 0.28 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.98 2x8n s ILE 68 Cb -0.10 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 2x8n s ILE 68 CO -0.01 -0.01 -0.13 -0.70 0.00 0.00 0.00 174.94 174.08 2x8n s GLU 69 N -1.18 1.35 0.57 2.79 2.12 -0.96 -4.99 118.70 118.40 2x8n s GLU 69 Ca 0.01 -1.61 -0.15 0.00 0.36 0.00 0.00 54.97 53.58 2x8n s GLU 69 Cb -0.08 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.15 2x8n s GLU 69 CO 0.01 0.17 1.03 0.42 -0.54 0.00 0.00 175.26 176.35 2x8n s ILE 70 N -2.98 4.15 0.75 -3.70 -1.09 -1.26 -0.65 121.20 116.41 2x8n s ILE 70 Ca 0.23 0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 59.48 2x8n s ILE 70 Cb -0.00 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2x8n s ILE 70 CO 0.07 -0.64 0.95 -1.54 -1.23 0.00 0.00 174.94 172.55 2x8n n SER 71 N -1.98 0.32 0.25 3.58 3.41 -0.82 -3.81 113.62 114.57 2x8n n SER 71 Ca 0.08 0.63 0.17 0.00 -0.26 0.00 0.00 58.87 59.49 2x8n n SER 71 Cb 0.53 -1.40 0.81 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.46 0.00 0.00 4.33 0.13 -1.92 -1.45 132.00 132.63 2x8n h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2x8n h PRO 72 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2x8n h PRO 72 CO 0.46 0.00 -0.67 0.43 -0.23 0.00 0.00 178.00 177.99 2x8n n SER 73 N -2.81 0.60 0.00 1.44 7.64 -1.26 -4.97 113.62 114.26 2x8n n SER 73 Ca -0.01 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2x8n n SER 73 Cb 0.18 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2x8n n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x8n n GLY 74 N 1.44 1.40 0.00 0.23 0.00 -0.55 -4.90 105.19 102.81 2x8n n GLY 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.47 0.00 0.99 4.77 -1.26 -3.32 117.00 118.65 2x8n n LEU 75 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2x8n n LEU 75 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2x8n n LEU 75 CO 0.00 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 2x8n n GLY 76 N 1.08 0.89 3.29 -0.72 0.00 -1.26 -1.58 105.19 106.88 2x8n n GLY 76 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 4.23 1.58 -0.29 1.61 0.11 -0.56 -1.95 120.40 125.13 2x8n s VAL 77 Ca 0.00 -1.84 -0.01 0.00 -2.93 0.00 0.00 61.98 57.20 2x8n s VAL 77 Cb 0.00 -1.71 0.09 0.00 -1.53 0.00 0.00 36.38 33.23 2x8n s VAL 77 CO 0.00 -0.38 0.07 -0.47 -3.33 0.00 0.00 175.10 170.99 2x8n s TYR 78 N -2.16 1.76 -0.82 1.54 6.14 0.17 -1.77 117.35 122.21 2x8n s TYR 78 Ca 0.13 -1.67 -0.25 0.00 0.64 0.00 0.00 57.07 55.92 2x8n s TYR 78 Cb -0.05 -1.66 0.01 0.00 0.42 0.00 0.00 41.96 40.68 2x8n s TYR 78 CO 0.05 -0.83 1.57 -0.06 0.64 0.00 0.00 175.55 176.91 2x8n s PHE 79 N 1.60 2.14 0.37 4.97 0.08 0.54 -2.28 117.98 125.41 2x8n s PHE 79 Ca 0.07 0.02 0.12 0.00 0.12 0.00 0.00 56.93 57.26 2x8n s PHE 79 Cb -0.17 -4.43 0.72 0.00 -0.57 0.00 0.00 43.02 38.56 2x8n s PHE 79 CO -0.20 -2.03 1.83 1.49 -0.10 0.00 0.00 175.22 176.21 2x8n h GLU 80 N 11.20 0.03 -0.86 0.44 4.81 -1.81 1.00 114.58 129.38 2x8n h GLU 80 Ca -0.07 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2x8n h GLU 80 Cb 1.05 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 2x8n h GLU 80 CO 1.30 0.38 0.53 1.15 -0.73 0.00 0.00 179.01 181.64 2x8n h THR 81 N 0.03 1.05 0.00 0.32 2.02 -1.89 -2.61 112.91 111.84 2x8n h THR 81 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2x8n h THR 81 Cb 0.64 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2x8n h THR 81 CO 0.05 0.18 -0.81 0.18 0.37 0.00 0.00 175.52 175.49 2x8n n LEU 82 N -4.61 0.65 -2.25 2.58 4.77 -0.66 -4.94 117.00 112.53 2x8n n LEU 82 Ca 0.12 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 2x8n n LEU 82 Cb 0.16 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2x8n n LEU 82 CO 0.31 0.00 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.51 2x8n n GLU 83 N -2.01 -1.67 -4.33 3.23 1.02 0.26 -4.99 120.64 112.14 2x8n n GLU 83 Ca 0.03 1.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.94 2x8n n GLU 83 Cb 0.43 -5.64 -0.09 0.00 -0.02 0.00 0.00 31.44 26.13 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 -4.80 2.03 -0.06 3.49 0.41 -0.73 -4.99 118.70 114.05 2x8n s GLU 84 Ca 0.00 -1.42 0.02 0.00 -0.41 0.00 0.00 54.97 53.16 2x8n s GLU 84 Cb 0.00 -2.07 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2x8n s GLU 84 CO 0.00 0.39 -0.12 0.34 -0.49 0.00 0.00 175.26 175.38 2x8n s ASP 85 N -3.21 1.73 -0.49 -0.19 -1.08 -1.26 -0.34 116.67 111.83 2x8n s ASP 85 Ca 0.28 -0.29 -0.13 0.00 -0.52 0.00 0.00 52.55 51.89 2x8n s ASP 85 Cb -0.07 -0.74 0.11 0.00 -1.46 0.00 0.00 42.92 40.76 2x8n s ASP 85 CO 0.16 0.05 0.40 -0.69 0.52 0.00 0.00 175.17 175.60 2x8n s VAL 86 N 0.56 4.76 -0.02 1.11 1.01 -0.73 -4.64 120.40 122.45 2x8n s VAL 86 Ca -0.12 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 2x8n s VAL 86 Cb -0.15 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2x8n s VAL 86 CO 0.03 -0.73 1.71 -0.44 0.00 0.00 0.00 175.10 175.68 2x8n s SER 87 N 2.89 6.62 0.17 3.32 0.01 -1.26 -1.50 113.70 123.95 2x8n s SER 87 Ca 0.04 2.34 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 2x8n s SER 87 Cb -0.27 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.47 2x8n s SER 87 CO 0.02 -0.95 1.82 0.25 0.41 0.00 0.00 173.24 174.80 2x8n h LEU 88 N 10.15 0.56 -0.86 2.44 5.85 -1.90 -1.75 115.31 129.80 2x8n h LEU 88 Ca -0.42 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2x8n h LEU 88 Cb 1.19 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2x8n h LEU 88 CO 0.95 0.42 0.34 0.40 -0.34 0.00 0.00 178.44 180.20 2x8n h ILE 89 N 0.66 1.26 -0.66 4.05 1.08 -1.91 -1.86 117.51 120.12 2x8n h ILE 89 Ca 0.18 -0.78 0.07 0.00 -0.39 0.00 0.00 64.86 63.93 2x8n h ILE 89 Cb -0.06 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 33.91 2x8n h ILE 89 CO -0.04 0.32 0.34 1.23 -0.69 0.00 0.00 178.15 179.32 2x8n h GLY 90 N 1.17 0.96 0.83 5.37 0.00 -1.66 -1.11 103.07 108.63 2x8n h GLY 90 Ca 0.27 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.41 2x8n h GLY 90 CO -0.03 0.11 0.59 1.41 0.00 0.00 0.00 176.54 178.63 2x8n h LEU 91 N 0.62 0.98 -1.01 3.11 3.38 -0.53 0.56 115.31 122.42 2x8n h LEU 91 Ca 0.30 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 2x8n h LEU 91 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2x8n h LEU 91 CO -0.21 0.65 -0.40 -0.07 0.09 0.00 0.00 178.44 178.51 2x8n h LEU 92 N 1.13 0.19 0.00 1.67 3.38 -0.90 -2.81 115.31 117.97 2x8n h LEU 92 Ca 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2x8n h LEU 92 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x8n h LEU 92 CO -0.14 0.58 -0.53 -0.62 0.09 0.00 0.00 178.44 177.81 2x8n n GLU 93 N -4.04 0.23 -0.18 1.13 1.02 -0.47 -4.95 120.64 113.38 2x8n n GLU 93 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2x8n n GLU 93 Cb 0.46 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2x8n n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x8n n GLY 94 N 1.37 1.16 3.58 0.62 0.00 0.73 -4.99 105.19 107.66 2x8n n GLY 94 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.53 3.04 0.00 1.61 3.52 0.16 -4.76 118.95 121.99 2x8n s ARG 95 Ca 0.00 -1.48 0.23 0.00 -0.13 0.00 0.00 55.73 54.35 2x8n s ARG 95 Cb 0.00 -5.35 1.01 0.00 -1.56 0.00 0.00 34.95 29.05 2x8n s ARG 95 CO 0.00 -3.37 1.75 2.89 -0.81 0.00 0.00 175.30 175.76 2x8n n ARG 96 N 8.32 0.02 -2.06 5.12 1.85 -1.26 -3.76 116.66 124.88 2x8n n ARG 96 Ca 0.46 0.10 -0.03 0.00 -1.00 0.00 0.00 57.85 57.38 2x8n n ARG 96 Cb 0.46 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.38 2x8n n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2x8n n GLY 97 N 0.91 1.56 3.71 2.89 0.00 -1.26 -2.17 105.19 110.83 2x8n n GLY 97 Ca 0.06 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 2x8n n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x8n s SER 98 N -1.78 3.71 0.28 1.61 0.15 -1.26 -4.78 113.70 111.63 2x8n s SER 98 Ca 0.06 2.12 -0.03 0.00 0.70 0.00 0.00 55.95 58.81 2x8n s SER 98 Cb -0.02 -2.56 0.40 0.00 -1.71 0.00 0.00 66.02 62.13 2x8n s SER 98 CO 0.04 -2.58 1.93 0.00 1.20 0.00 0.00 173.24 173.84 2x8n h ALA 99 N -1.25 1.39 -0.42 5.45 0.00 -1.99 -0.44 119.26 122.00 2x8n h ALA 99 Ca -0.44 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2x8n h ALA 99 Cb 1.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2x8n h ALA 99 CO 0.46 0.53 -0.17 1.57 0.00 0.00 0.00 179.25 181.65 2x8n h LYS 100 N 1.19 0.80 -0.35 0.00 2.10 -1.99 -1.94 116.57 116.38 2x8n h LYS 100 Ca 0.36 -0.29 -0.06 0.00 -2.00 0.00 0.00 60.65 58.66 2x8n h LYS 100 Cb -0.03 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 2x8n h LYS 100 CO -0.10 0.91 -0.03 2.35 -2.00 0.00 0.00 179.45 180.58 2x8n h TRP 101 N 0.71 0.70 0.00 0.07 7.01 -1.66 -1.42 115.95 121.36 2x8n h TRP 101 Ca 0.11 -0.13 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2x8n h TRP 101 Cb 0.67 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2x8n h TRP 101 CO 0.04 0.76 -0.37 0.52 -2.79 0.00 0.00 178.44 176.60 2x8n h MET 102 N 0.44 0.00 0.17 2.65 2.86 -1.05 0.69 114.93 120.69 2x8n h MET 102 Ca 0.10 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.39 2x8n h MET 102 Cb 0.50 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 2x8n h MET 102 CO 0.02 0.37 -1.72 0.00 1.06 0.00 0.00 176.91 176.64 2x8n h ALA 103 N 1.63 0.18 0.00 6.32 0.00 -1.29 -3.33 119.26 122.77 2x8n h ALA 103 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2x8n h ALA 103 Cb 0.94 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2x8n h ALA 103 CO 0.05 1.02 -1.47 0.39 0.00 0.00 0.00 179.25 179.23 2x8n n GLU 104 N -3.64 0.46 -3.46 0.00 1.02 -0.54 -4.33 120.64 110.15 2x8n n GLU 104 Ca -0.26 -0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.54 2x8n n GLU 104 Cb 1.04 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.80 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 -2.13 2.49 -2.29 -0.32 8.25 0.23 -5.06 115.22 116.39 2x8n n HIS 105 Ca -0.01 -4.01 -0.41 0.00 -0.26 0.00 0.00 57.72 53.02 2x8n n HIS 105 Cb 0.50 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 2x8n n HIS 105 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2x8n s PRO 106 N -1.88 4.42 0.36 -0.41 0.02 -1.25 -4.49 135.00 131.77 2x8n s PRO 106 Ca 0.36 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 2x8n s PRO 106 Cb 0.11 -3.24 -0.09 0.00 0.02 0.00 0.00 34.50 31.31 2x8n s PRO 106 CO -0.07 -0.22 1.11 -1.17 -0.33 0.00 0.00 177.00 176.31 2x8n s LEU 107 N 0.16 4.28 -1.00 -5.54 2.96 -1.26 -4.92 118.68 113.37 2x8n s LEU 107 Ca 0.57 2.22 -0.25 0.00 -0.22 0.00 0.00 54.13 56.44 2x8n s LEU 107 Cb -0.34 -3.96 -0.15 0.00 0.50 0.00 0.00 46.19 42.23 2x8n s LEU 107 CO 0.35 -0.46 2.14 0.00 -1.32 0.00 0.00 176.35 177.07 2x8n s ALA 108 N -1.43 0.95 0.00 5.97 0.00 -1.26 -5.23 121.76 120.76 2x8n s ALA 108 Ca 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2x8n s ALA 108 Cb -0.28 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.20 2x8n s ALA 108 CO 0.35 -6.03 0.00 0.45 0.00 0.00 0.00 175.76 170.53