#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 1.97 -0.30 0.03 2.02 -1.26 -5.11 118.70 116.05 2x8n s GLU 2 Ca 0.00 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 2x8n s GLU 2 Cb 0.00 -2.13 0.10 0.00 0.10 0.00 0.00 34.13 32.19 2x8n s GLU 2 CO 0.00 0.53 0.09 0.14 0.02 0.00 0.00 175.26 176.03 2x8n s VAL 3 N -0.94 0.85 -0.74 2.63 -7.23 -1.26 -5.09 120.40 108.62 2x8n s VAL 3 Ca 0.14 -1.32 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 2x8n s VAL 3 Cb -0.10 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 2x8n s VAL 3 CO 0.05 -0.63 1.96 -0.94 -0.31 0.00 0.00 175.10 175.24 2x8n s SER 4 N 1.64 5.08 0.17 4.85 1.04 -1.26 -4.76 113.70 120.47 2x8n s SER 4 Ca 0.09 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.46 2x8n s SER 4 Cb -0.17 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2x8n s SER 4 CO -0.24 -2.65 0.04 0.00 0.98 0.00 0.00 173.24 171.37 2x8n s ALA 5 N 10.04 1.26 0.28 5.32 0.00 -1.26 -5.04 121.76 132.36 2x8n s ALA 5 Ca 0.72 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 2x8n s ALA 5 Cb -0.10 0.76 0.41 0.00 0.00 0.00 0.00 23.12 24.19 2x8n s ALA 5 CO 0.11 -0.40 1.82 -0.91 0.00 0.00 0.00 175.76 176.38 2x8n h ASN 6 N 2.69 0.74 0.49 0.00 4.21 -1.98 -2.13 115.58 119.60 2x8n h ASN 6 Ca -0.36 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 56.97 2x8n h ASN 6 Cb 1.21 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 2x8n h ASN 6 CO 0.61 0.75 -0.18 1.05 -1.29 0.00 0.00 177.43 178.37 2x8n h GLU 7 N 0.76 0.00 -0.11 0.81 4.11 -1.97 -1.95 114.58 116.22 2x8n h GLU 7 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2x8n h GLU 7 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2x8n h GLU 7 CO 0.00 0.18 0.00 1.28 0.07 0.00 0.00 179.01 180.54 2x8n n LEU 8 N -3.65 1.03 -4.28 3.06 7.99 -0.81 -4.92 117.00 115.42 2x8n n LEU 8 Ca -0.01 -0.44 -0.38 0.00 -0.01 0.00 0.00 56.01 55.17 2x8n n LEU 8 Cb 0.30 -0.07 -0.05 0.00 -0.11 0.00 0.00 43.42 43.49 2x8n n LEU 8 CO 0.32 0.22 -0.08 -1.84 -1.51 0.00 0.00 177.39 174.50 2x8n n GLU 9 N -0.08 -2.22 0.15 3.23 0.28 -0.73 -4.72 120.64 116.54 2x8n n GLU 9 Ca 0.14 0.28 0.18 0.00 -0.16 0.00 0.00 57.16 57.60 2x8n n GLU 9 Cb 0.22 -4.95 0.78 0.00 1.43 0.00 0.00 31.44 28.92 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 0.90 1.98 0.59 -1.84 0.00 -1.77 -0.30 119.26 118.82 2x8n h ALA 10 Ca -0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2x8n h ALA 10 Cb 1.37 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2x8n h ALA 10 CO 0.80 -0.41 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 2x8n h ALA 11 N 1.71 -0.79 -0.50 0.00 0.00 -1.88 -1.34 119.26 116.47 2x8n h ALA 11 Ca 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2x8n h ALA 11 Cb 0.67 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2x8n h ALA 11 CO -0.00 -0.87 -0.03 1.03 0.00 0.00 0.00 179.25 179.38 2x8n h SER 12 N -0.94 0.84 -0.04 0.00 0.87 -1.46 -1.78 113.55 111.04 2x8n h SER 12 Ca -0.08 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2x8n h SER 12 Cb 0.65 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2x8n h SER 12 CO 0.13 0.92 -0.03 0.28 -0.53 0.00 0.00 176.83 177.60 2x8n h SER 13 N 0.79 -0.10 0.45 6.23 0.02 -1.36 -2.31 113.55 117.27 2x8n h SER 13 Ca 0.14 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2x8n h SER 13 Cb 0.52 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2x8n h SER 13 CO 0.03 -0.04 -0.23 0.03 -1.14 0.00 0.00 176.83 175.48 2x8n h ARG 14 N -0.04 0.00 0.41 3.45 2.47 -1.00 -0.66 114.38 119.02 2x8n h ARG 14 Ca 0.03 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2x8n h ARG 14 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2x8n h ARG 14 CO -0.06 0.23 -0.20 0.52 0.56 0.00 0.00 179.97 181.01 2x8n h MET 15 N 0.00 -0.53 -0.92 0.04 2.86 -0.93 -0.41 114.93 115.04 2x8n h MET 15 Ca -0.00 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2x8n h MET 15 Cb 0.51 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2x8n h MET 15 CO 0.03 -0.28 0.51 1.49 1.06 0.00 0.00 176.91 179.72 2x8n h GLU 16 N -0.70 1.27 -0.14 1.72 4.81 -1.21 -2.28 114.58 118.06 2x8n h GLU 16 Ca -0.06 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 2x8n h GLU 16 Cb 0.50 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2x8n h GLU 16 CO 0.09 0.92 0.06 0.52 -0.73 0.00 0.00 179.01 179.88 2x8n h MET 17 N 1.28 0.21 0.00 1.92 2.86 -1.09 -2.92 114.93 117.19 2x8n h MET 17 Ca 0.32 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2x8n h MET 17 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2x8n h MET 17 CO -0.05 0.27 -0.17 -0.07 1.06 0.00 0.00 176.91 177.95 2x8n h LEU 18 N 0.09 0.00 0.29 1.22 3.38 -0.88 0.23 115.31 119.65 2x8n h LEU 18 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2x8n h LEU 18 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2x8n h LEU 18 CO -0.01 0.17 -0.14 1.56 0.09 0.00 0.00 178.44 180.11 2x8n h GLN 19 N 0.00 -0.37 0.00 1.13 4.20 -1.23 -1.87 115.11 116.96 2x8n h GLN 19 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2x8n h GLN 19 Cb 0.64 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2x8n h GLN 19 CO 0.02 -0.24 -0.23 2.89 -0.67 0.00 0.00 178.83 180.60 2x8n n ARG 20 N -5.25 0.19 -0.05 1.46 1.85 -0.95 -2.73 116.66 111.18 2x8n n ARG 20 Ca -0.10 0.11 -0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2x8n n ARG 20 Cb 0.18 -1.68 -0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2x8n n ARG 20 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2x8n h GLU 21 N 0.00 0.00 0.00 2.89 4.57 -0.52 -3.46 114.58 118.06 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 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2x8n h GLU 21 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 2x8n n TYR 22 N -4.46 0.00 -3.61 0.92 4.02 -0.71 -5.06 117.16 108.26 2x8n n TYR 22 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 2x8n n TYR 22 Cb 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.32 2x8n n TYR 22 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2x8n s SER 23 N -1.00 -0.14 0.21 7.72 1.04 -1.11 -4.89 113.70 115.53 2x8n s SER 23 Ca 0.00 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.37 2x8n s SER 23 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2x8n s SER 23 CO 0.00 -0.38 0.33 0.42 0.98 0.00 0.00 173.24 174.60 2x8n s THR 24 N -2.59 5.27 -0.25 2.02 -4.23 -1.25 -4.46 115.64 110.15 2x8n s THR 24 Ca 0.11 -0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 59.46 2x8n s THR 24 Cb 0.01 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.05 2x8n s THR 24 CO -0.04 -0.25 0.97 -0.22 -0.54 0.00 0.00 174.62 174.55 2x8n s LEU 25 N -3.71 4.07 -0.16 4.79 2.96 -0.85 -1.30 118.68 124.48 2x8n s LEU 25 Ca 0.34 1.20 0.05 0.00 -0.22 0.00 0.00 54.13 55.50 2x8n s LEU 25 Cb -0.10 -3.42 -0.23 0.00 0.50 0.00 0.00 46.19 42.95 2x8n s LEU 25 CO 0.29 -0.65 0.21 -2.11 -1.32 0.00 0.00 176.35 172.76 2x8n n ARG 26 N 6.30 0.69 -3.71 1.98 1.85 -0.87 -4.91 116.66 117.99 2x8n n ARG 26 Ca 0.10 0.19 -0.13 0.00 -1.00 0.00 0.00 57.85 57.00 2x8n n ARG 26 Cb 0.47 -1.64 -0.07 0.00 -1.05 0.00 0.00 32.46 30.16 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 -6.38 -0.24 -0.02 2.89 0.01 -0.98 -5.03 113.70 103.94 2x8n s SER 27 Ca -0.19 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.15 2x8n s SER 27 Cb 0.07 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2x8n s SER 27 CO 0.75 -0.56 -0.06 -0.69 0.41 0.00 0.00 173.24 173.09 2x8n s VAL 28 N -1.88 0.59 -0.06 3.43 1.01 -1.26 -0.72 120.40 121.51 2x8n s VAL 28 Ca -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2x8n s VAL 28 Cb -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.84 2x8n s VAL 28 CO 0.01 0.20 0.02 0.00 0.00 0.00 0.00 175.10 175.33 2x8n s GLN 29 N 0.29 0.42 -0.50 2.72 -2.07 -0.59 -5.00 119.66 114.93 2x8n s GLN 29 Ca -0.04 0.18 -0.26 0.00 -1.82 0.00 0.00 55.36 53.42 2x8n s GLN 29 Cb -0.08 -0.85 0.03 0.00 -1.09 0.00 0.00 33.01 31.02 2x8n s GLN 29 CO 0.00 -0.31 1.02 -0.47 -1.32 0.00 0.00 175.29 174.20 2x8n s TYR 30 N 2.03 2.82 -0.62 9.60 6.14 -1.26 -1.13 117.35 134.94 2x8n s TYR 30 Ca 0.05 0.39 -0.22 0.00 0.64 0.00 0.00 57.07 57.92 2x8n s TYR 30 Cb -0.12 -4.18 0.07 0.00 0.42 0.00 0.00 41.96 38.14 2x8n s TYR 30 CO -0.05 -1.26 0.91 1.03 0.64 0.00 0.00 175.55 176.82 2x8n s ARG 31 N 4.13 3.15 0.54 4.97 0.52 -0.31 -4.89 118.95 127.06 2x8n s ARG 31 Ca 0.39 -0.75 0.30 0.00 -0.52 0.00 0.00 55.73 55.15 2x8n s ARG 31 Cb -0.09 -4.18 1.51 0.00 0.52 0.00 0.00 34.95 32.71 2x8n s ARG 31 CO 0.26 -1.67 2.08 0.77 0.02 0.00 0.00 175.30 176.76 2x8n h SER 32 N 9.43 0.00 -0.87 0.23 0.02 -1.95 0.21 113.55 120.62 2x8n h SER 32 Ca -0.28 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.78 2x8n h SER 32 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 2x8n h SER 32 CO 1.13 0.10 0.56 -0.33 -1.14 0.00 0.00 176.83 177.16 2x8n h GLU 33 N 0.00 0.77 0.00 3.45 4.39 -1.95 -3.18 114.58 118.06 2x8n h GLU 33 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2x8n h GLU 33 Cb 0.35 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2x8n h GLU 33 CO 0.01 0.51 -1.46 0.39 -1.16 0.00 0.00 179.01 177.30 2x8n n GLU 34 N -4.54 0.73 -2.99 2.33 1.02 -1.04 -5.02 120.64 111.14 2x8n n GLU 34 Ca 0.15 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 2x8n n GLU 34 Cb 0.36 -1.22 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 2x8n n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x8n n GLY 35 N 2.07 0.28 3.16 0.62 0.00 0.70 -5.07 105.19 106.95 2x8n n GLY 35 Ca -0.04 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.14 1.06 -0.37 1.61 -7.23 -0.89 -4.35 120.40 107.10 2x8n s VAL 36 Ca 0.26 -1.31 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 2x8n s VAL 36 Cb -0.12 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.77 2x8n s VAL 36 CO 0.32 -0.26 0.54 -0.63 -0.31 0.00 0.00 175.10 174.76 2x8n s ILE 37 N -1.35 4.98 -0.34 -0.62 1.01 0.11 -1.16 121.20 123.82 2x8n s ILE 37 Ca -0.02 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.75 2x8n s ILE 37 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2x8n s ILE 37 CO 0.02 -0.31 0.29 -0.69 0.00 0.00 0.00 174.94 174.26 2x8n s VAL 38 N 2.46 5.24 -0.58 2.92 1.01 -0.28 -2.43 120.40 128.74 2x8n s VAL 38 Ca 0.19 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2x8n s VAL 38 Cb -0.15 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.58 2x8n s VAL 38 CO 0.14 -0.04 0.64 -0.36 0.00 0.00 0.00 175.10 175.49 2x8n s PHE 39 N 1.85 3.07 -0.13 5.22 0.08 -0.30 -1.54 117.98 126.23 2x8n s PHE 39 Ca 0.08 -1.06 -0.29 0.00 0.12 0.00 0.00 56.93 55.78 2x8n s PHE 39 Cb -0.17 -3.95 -0.01 0.00 -0.57 0.00 0.00 43.02 38.32 2x8n s PHE 39 CO 0.11 -1.21 1.15 0.42 -0.10 0.00 0.00 175.22 175.59 2x8n s ILE 40 N 2.35 4.45 0.38 0.64 1.01 0.11 -1.17 121.20 128.96 2x8n s ILE 40 Ca 0.09 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.49 2x8n s ILE 40 Cb -0.26 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 2x8n s ILE 40 CO 0.05 -0.08 0.59 -0.76 0.00 0.00 0.00 174.94 174.74 2x8n s LEU 41 N 2.78 3.89 0.42 2.97 1.43 -0.30 -2.05 118.68 127.81 2x8n s LEU 41 Ca 0.52 0.38 0.29 0.00 -1.03 0.00 0.00 54.13 54.29 2x8n s LEU 41 Cb -0.21 -3.25 1.19 0.00 0.03 0.00 0.00 46.19 43.95 2x8n s LEU 41 CO 0.16 -0.43 1.86 0.00 0.23 0.00 0.00 176.35 178.16 2x8n h ALA 42 N 0.64 1.00 -0.40 4.21 0.00 -1.52 -1.85 119.26 121.34 2x8n h ALA 42 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2x8n h ALA 42 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2x8n h ALA 42 CO 0.60 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.12 2x8n n ASN 43 N -2.70 2.44 -3.27 0.00 0.23 -1.26 -4.95 115.26 105.75 2x8n n ASN 43 Ca 0.01 -1.94 -0.15 0.00 -0.53 0.00 0.00 54.58 51.97 2x8n n ASN 43 Cb 0.27 -0.26 0.07 0.00 -2.08 0.00 0.00 39.78 37.78 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 0.83 -5.90 -3.90 0.53 2.03 -0.69 -5.06 116.55 104.39 2x8n n ASP 44 Ca 0.16 -0.69 -0.23 0.00 0.52 0.00 0.00 54.79 54.55 2x8n n ASP 44 Cb 0.41 -5.19 -0.17 0.00 -0.72 0.00 0.00 41.12 35.44 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2x8n s ARG 45 N -4.54 1.14 -0.32 -0.67 3.00 -1.26 -4.95 118.95 111.35 2x8n s ARG 45 Ca 0.38 -0.16 -0.12 0.00 -1.00 0.00 0.00 55.73 54.84 2x8n s ARG 45 Cb -0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 34.95 33.70 2x8n s ARG 45 CO 0.74 -0.15 0.21 -1.21 0.00 0.00 0.00 175.30 174.88 2x8n s GLU 46 N 1.29 3.58 0.47 5.12 8.01 -1.26 -1.15 118.70 134.76 2x8n s GLU 46 Ca -0.04 -0.57 -0.18 0.00 0.01 0.00 0.00 54.97 54.18 2x8n s GLU 46 Cb -0.14 -3.71 -0.09 0.00 -4.31 0.00 0.00 34.13 25.88 2x8n s GLU 46 CO -0.02 -0.37 0.96 -0.51 0.01 0.00 0.00 175.26 175.33 2x8n s LEU 47 N 1.71 3.78 -0.30 1.80 1.43 -0.32 -4.87 118.68 121.91 2x8n s LEU 47 Ca 0.06 1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2x8n s LEU 47 Cb -0.17 -4.50 0.10 0.00 0.03 0.00 0.00 46.19 41.65 2x8n s LEU 47 CO 0.10 -0.47 0.13 -0.75 0.23 0.00 0.00 176.35 175.58 2x8n s LYS 48 N -3.63 0.35 -0.00 1.70 2.20 -1.26 -1.15 119.74 117.95 2x8n s LYS 48 Ca 0.60 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.53 2x8n s LYS 48 Cb -0.09 -1.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.83 2x8n s LYS 48 CO 0.23 -1.02 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.04 2x8n s PHE 49 N 1.92 0.87 0.58 4.03 0.08 -1.02 -5.00 117.98 119.44 2x8n s PHE 49 Ca 0.10 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 2x8n s PHE 49 Cb -0.17 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2x8n s PHE 49 CO -0.32 -0.01 1.02 1.03 -0.10 0.00 0.00 175.22 176.83 2x8n s ARG 50 N -0.35 3.60 0.21 0.44 3.00 -1.26 -0.71 118.95 123.88 2x8n s ARG 50 Ca 0.03 0.95 -0.09 0.00 0.00 0.00 0.00 55.73 56.63 2x8n s ARG 50 Cb -0.04 -2.08 0.25 0.00 0.00 0.00 0.00 34.95 33.08 2x8n s ARG 50 CO -0.00 -0.56 1.82 -1.00 0.00 0.00 0.00 175.30 175.55 2x8n h PRO 51 N 0.30 0.71 -0.13 3.54 0.13 -1.86 -1.88 132.00 132.81 2x8n h PRO 51 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2x8n h PRO 51 Cb 1.20 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2x8n h PRO 51 CO 0.60 0.47 0.00 -0.40 -0.23 0.00 0.00 178.00 178.44 2x8n n ASP 52 N -4.76 0.14 -0.10 1.44 5.68 -1.26 -3.01 116.55 114.68 2x8n n ASP 52 Ca 0.09 -2.00 -0.19 0.00 -0.50 0.00 0.00 54.79 52.19 2x8n n ASP 52 Cb 0.17 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 2x8n n ASP 52 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2x8n n ASP 53 N -0.43 1.89 -4.84 -1.12 2.03 -0.77 -4.83 116.55 108.48 2x8n n ASP 53 Ca 0.00 0.11 -0.32 0.00 0.52 0.00 0.00 54.79 55.10 2x8n n ASP 53 Cb 0.03 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 2x8n n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2x8n s LEU 54 N -6.73 3.56 0.04 -2.67 1.43 -0.84 -4.75 118.68 108.72 2x8n s LEU 54 Ca -0.28 1.57 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 2x8n s LEU 54 Cb 0.09 -4.51 -0.17 0.00 0.03 0.00 0.00 46.19 41.64 2x8n s LEU 54 CO 0.41 -0.67 1.25 -0.61 0.23 0.00 0.00 176.35 176.96 2x8n h GLN 55 N 0.71 0.51 -0.86 1.70 4.15 -1.85 -2.73 115.11 116.74 2x8n h GLN 55 Ca -0.46 -0.39 0.14 0.00 0.77 0.00 0.00 58.65 58.72 2x8n h GLN 55 Cb 1.19 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.86 2x8n h GLN 55 CO 0.61 1.01 0.46 0.00 -1.93 0.00 0.00 178.83 178.98 2x8n h ALA 56 N 0.50 1.30 -0.20 3.38 0.00 -1.85 -3.15 119.26 119.25 2x8n h ALA 56 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x8n h ALA 56 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2x8n h ALA 56 CO 0.09 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.53 2x8n n THR 57 N -4.85 1.74 -2.14 0.00 -2.24 -1.24 -4.89 114.28 100.66 2x8n n THR 57 Ca 0.17 -1.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.01 2x8n n THR 57 Cb 0.43 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.18 1.98 0.00 4.78 5.04 -1.03 -1.34 117.35 124.61 2x8n s TYR 58 Ca 0.30 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 2x8n s TYR 58 Cb 0.23 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.39 2x8n s TYR 58 CO 0.08 -1.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.06 2x8n n GLY 59 N 6.54 1.01 3.67 8.97 0.00 -1.26 -5.04 105.19 119.09 2x8n n GLY 59 Ca 0.41 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.36 3.25 0.43 4.61 0.00 -0.45 -5.14 121.76 122.10 2x8n s ALA 60 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 2x8n s ALA 60 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 23.12 21.90 2x8n s ALA 60 CO 0.00 0.68 0.82 0.95 0.00 0.00 0.00 175.76 178.21 2x8n s THR 61 N -1.33 4.74 0.45 0.00 -4.23 -1.26 -4.99 115.64 109.02 2x8n s THR 61 Ca 0.25 0.73 0.12 0.00 -1.18 0.00 0.00 61.69 61.62 2x8n s THR 61 Cb -0.11 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.28 2x8n s THR 61 CO 0.18 -0.57 2.06 1.55 -0.54 0.00 0.00 174.62 177.30 2x8n h PRO 62 N 1.15 0.35 -0.58 3.99 0.13 -2.01 -2.36 132.00 132.66 2x8n h PRO 62 Ca -0.47 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2x8n h PRO 62 Cb 1.19 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2x8n h PRO 62 CO 0.63 0.23 0.27 1.05 -0.23 0.00 0.00 178.00 179.95 2x8n h GLU 63 N 0.36 0.83 0.00 0.86 9.09 -2.01 -1.37 114.58 122.34 2x8n h GLU 63 Ca 0.15 -0.11 -0.05 0.00 0.05 0.00 0.00 59.36 59.40 2x8n h GLU 63 Cb 0.16 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 2x8n h GLU 63 CO -0.03 0.65 -0.24 1.96 0.05 0.00 0.00 179.01 181.40 2x8n h GLN 64 N 0.82 0.00 -0.61 1.06 4.20 -1.80 -2.88 115.11 115.91 2x8n h GLN 64 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2x8n h GLN 64 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2x8n h GLN 64 CO -0.02 0.24 0.07 1.28 -0.67 0.00 0.00 178.83 179.72 2x8n n LEU 65 N -3.54 5.80 -0.03 1.46 4.77 -0.55 -3.53 117.00 121.38 2x8n n LEU 65 Ca -0.01 -3.01 -0.02 0.00 -0.03 0.00 0.00 56.01 52.94 2x8n n LEU 65 Cb 0.39 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2x8n n LEU 65 CO 0.33 0.68 -0.68 0.54 -1.33 0.00 0.00 177.39 176.93 2x8n n ARG 66 N 0.39 2.45 -3.15 3.23 1.74 -1.03 -4.23 116.66 116.06 2x8n n ARG 66 Ca 0.31 -0.01 -0.45 0.00 -0.77 0.00 0.00 57.85 56.93 2x8n n ARG 66 Cb 1.24 -1.16 -0.00 0.00 -1.02 0.00 0.00 32.46 31.52 2x8n n ARG 66 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2x8n s GLU 67 N -2.21 4.15 0.03 5.56 0.41 -1.21 -4.99 118.70 120.44 2x8n s GLU 67 Ca -0.03 -2.91 0.07 0.00 -0.41 0.00 0.00 54.97 51.70 2x8n s GLU 67 Cb 0.02 -4.81 -0.02 0.00 -1.78 0.00 0.00 34.13 27.54 2x8n s GLU 67 CO 0.26 -1.50 -0.21 0.42 -0.49 0.00 0.00 175.26 173.74 2x8n s ILE 68 N 0.13 1.69 0.21 -1.63 1.01 -1.26 -3.07 121.20 118.28 2x8n s ILE 68 Ca 0.37 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2x8n s ILE 68 Cb -0.06 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2x8n s ILE 68 CO -0.04 0.28 -0.07 -0.70 0.00 0.00 0.00 174.94 174.41 2x8n s GLU 69 N -1.02 1.30 0.61 2.79 2.12 -0.85 -4.92 118.70 118.73 2x8n s GLU 69 Ca 0.08 -1.62 -0.15 0.00 0.36 0.00 0.00 54.97 53.64 2x8n s GLU 69 Cb -0.09 -0.83 -0.03 0.00 0.26 0.00 0.00 34.13 33.44 2x8n s GLU 69 CO 0.01 0.03 1.05 0.42 -0.54 0.00 0.00 175.26 176.23 2x8n s ILE 70 N -3.22 3.96 0.67 -3.70 -1.09 -1.26 -0.59 121.20 115.97 2x8n s ILE 70 Ca 0.24 0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 59.35 2x8n s ILE 70 Cb 0.03 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2x8n s ILE 70 CO 0.07 -0.62 0.98 -1.54 -1.23 0.00 0.00 174.94 172.59 2x8n n SER 71 N -2.24 0.66 0.00 3.58 3.41 -0.94 -3.79 113.62 114.30 2x8n n SER 71 Ca 0.08 0.73 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 2x8n n SER 71 Cb 0.53 -1.41 0.39 0.00 -0.26 0.00 0.00 64.21 63.47 2x8n n SER 71 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2x8n n PRO 72 N -1.49 0.23 0.00 4.33 -0.04 -1.26 -1.21 135.00 135.56 2x8n n PRO 72 Ca 0.14 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2x8n n PRO 72 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2x8n n PRO 72 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2x8n n SER 73 N -1.28 2.29 0.00 3.54 7.64 -1.26 -5.01 113.62 119.55 2x8n n SER 73 Ca 0.07 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2x8n n SER 73 Cb 0.12 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 1.24 1.53 0.00 0.23 0.00 -0.35 -4.64 105.19 103.21 2x8n n GLY 74 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.93 0.00 0.99 4.77 -1.26 -3.72 117.00 118.70 2x8n n LEU 75 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2x8n n LEU 75 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2x8n n LEU 75 CO 0.00 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 2x8n n GLY 76 N 2.15 0.88 3.14 -0.72 0.00 -1.26 -2.01 105.19 107.37 2x8n n GLY 76 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 1.56 0.75 -0.35 1.61 0.11 -0.73 -2.21 120.40 121.14 2x8n s VAL 77 Ca 0.00 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 2x8n s VAL 77 Cb 0.00 -1.26 0.11 0.00 -1.53 0.00 0.00 36.38 33.70 2x8n s VAL 77 CO 0.00 -0.61 0.13 -0.47 -3.33 0.00 0.00 175.10 170.82 2x8n s TYR 78 N -2.54 1.92 -0.25 1.54 6.14 0.25 -2.08 117.35 122.32 2x8n s TYR 78 Ca 0.03 -2.01 -0.29 0.00 0.64 0.00 0.00 57.07 55.44 2x8n s TYR 78 Cb -0.02 -1.84 -0.02 0.00 0.42 0.00 0.00 41.96 40.50 2x8n s TYR 78 CO -0.01 -0.86 1.61 -0.06 0.64 0.00 0.00 175.55 176.87 2x8n s PHE 79 N 1.22 2.11 0.15 4.97 0.08 0.29 -2.00 117.98 124.80 2x8n s PHE 79 Ca 0.12 0.58 -0.04 0.00 0.12 0.00 0.00 56.93 57.71 2x8n s PHE 79 Cb -0.19 -4.02 -0.03 0.00 -0.57 0.00 0.00 43.02 38.20 2x8n s PHE 79 CO -0.17 -2.81 1.36 1.49 -0.10 0.00 0.00 175.22 175.00 2x8n h GLU 80 N 10.96 0.47 -0.08 0.44 4.81 -1.83 0.33 114.58 129.68 2x8n h GLU 80 Ca -0.33 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.39 2x8n h GLU 80 Cb 1.15 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2x8n h GLU 80 CO 1.01 1.07 -0.32 1.15 -0.73 0.00 0.00 179.01 181.19 2x8n h THR 81 N 0.30 1.26 0.00 0.32 2.02 -1.81 -2.90 112.91 112.10 2x8n h THR 81 Ca -0.05 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2x8n h THR 81 Cb 1.42 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2x8n h THR 81 CO 0.15 0.37 -1.18 0.18 0.37 0.00 0.00 175.52 175.40 2x8n n LEU 82 N -4.12 0.56 -2.55 2.58 4.77 -1.10 -4.97 117.00 112.18 2x8n n LEU 82 Ca -0.01 0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2x8n n LEU 82 Cb 0.40 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2x8n n LEU 82 CO 0.40 0.01 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.68 2x8n n GLU 83 N -2.10 -2.38 -4.25 3.23 1.02 0.11 -4.97 120.64 111.30 2x8n n GLU 83 Ca 0.01 0.74 -0.22 0.00 -0.02 0.00 0.00 57.16 57.67 2x8n n GLU 83 Cb 0.47 -5.39 -0.12 0.00 -0.02 0.00 0.00 31.44 26.38 2x8n n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2x8n s GLU 84 N -5.17 1.00 -0.00 3.49 2.56 -0.78 -4.96 118.70 114.85 2x8n s GLU 84 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 54.97 53.96 2x8n s GLU 84 Cb -0.03 -1.17 -0.04 0.00 2.00 0.00 0.00 34.13 34.90 2x8n s GLU 84 CO 0.07 0.27 0.05 0.34 -0.56 0.00 0.00 175.26 175.43 2x8n s ASP 85 N -1.82 5.48 -0.32 -1.70 2.15 -1.26 -0.55 116.67 118.65 2x8n s ASP 85 Ca 0.03 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2x8n s ASP 85 Cb -0.10 -1.52 0.07 0.00 -0.30 0.00 0.00 42.92 41.07 2x8n s ASP 85 CO 0.03 0.27 0.02 -0.69 -0.17 0.00 0.00 175.17 174.64 2x8n s VAL 86 N -1.16 2.71 -0.07 1.11 1.01 -0.88 -4.52 120.40 118.59 2x8n s VAL 86 Ca 0.22 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 2x8n s VAL 86 Cb -0.12 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2x8n s VAL 86 CO 0.13 -0.29 1.84 -0.44 0.00 0.00 0.00 175.10 176.34 2x8n s SER 87 N 1.25 6.38 0.12 3.32 0.01 -1.26 -1.76 113.70 121.75 2x8n s SER 87 Ca -0.01 2.25 -0.20 0.00 1.31 0.00 0.00 55.95 59.31 2x8n s SER 87 Cb -0.20 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 2x8n s SER 87 CO -0.04 -1.16 1.76 0.25 0.41 0.00 0.00 173.24 174.45 2x8n h LEU 88 N 11.25 0.12 -1.17 2.44 5.85 -1.89 -2.07 115.31 129.85 2x8n h LEU 88 Ca -0.42 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 2x8n h LEU 88 Cb 1.20 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2x8n h LEU 88 CO 0.96 0.10 0.07 0.40 -0.34 0.00 0.00 178.44 179.62 2x8n h ILE 89 N 0.17 1.20 -0.75 4.05 1.08 -1.92 -0.93 117.51 120.43 2x8n h ILE 89 Ca 0.07 -0.76 0.05 0.00 -0.39 0.00 0.00 64.86 63.83 2x8n h ILE 89 Cb 0.01 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 2x8n h ILE 89 CO -0.04 0.27 0.46 1.23 -0.69 0.00 0.00 178.15 179.37 2x8n h GLY 90 N 0.87 1.11 1.33 5.37 0.00 -1.72 -0.83 103.07 109.20 2x8n h GLY 90 Ca 0.14 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2x8n h GLY 90 CO 0.00 0.24 0.03 1.41 0.00 0.00 0.00 176.54 178.23 2x8n h LEU 91 N 0.86 0.78 -0.67 3.11 3.38 -0.51 0.37 115.31 122.62 2x8n h LEU 91 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x8n h LEU 91 Cb 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2x8n h LEU 91 CO -0.15 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.14 2x8n h LEU 92 N 0.77 0.00 -0.21 1.67 3.38 -0.79 -2.47 115.31 117.67 2x8n h LEU 92 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2x8n h LEU 92 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2x8n h LEU 92 CO 0.02 0.00 -0.88 -0.62 0.09 0.00 0.00 178.44 177.05 2x8n n GLU 93 N -2.46 0.35 -0.70 1.13 1.02 -0.36 -4.99 120.64 114.64 2x8n n GLU 93 Ca 0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2x8n n GLU 93 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.47 0.68 3.38 0.62 0.00 -0.07 -5.01 105.19 106.27 2x8n n GLY 94 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2x8n n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x8n s ARG 95 N -0.30 3.78 0.41 1.61 3.00 0.11 -4.86 118.95 122.70 2x8n s ARG 95 Ca 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 55.73 53.39 2x8n s ARG 95 Cb 0.00 -4.68 0.88 0.00 0.00 0.00 0.00 34.95 31.15 2x8n s ARG 95 CO 0.00 -1.48 2.04 0.07 0.00 0.00 0.00 175.30 175.93 2x8n h ARG 96 N 7.79 0.46 0.00 3.54 0.11 -1.90 -3.27 114.38 121.10 2x8n h ARG 96 Ca 0.16 -0.04 -0.43 0.00 0.10 0.00 0.00 59.98 59.78 2x8n h ARG 96 Cb 0.98 -0.10 -0.11 0.00 1.11 0.00 0.00 29.97 31.86 2x8n h ARG 96 CO 0.97 0.34 -0.40 0.41 0.10 0.00 0.00 179.97 181.39 2x8n n GLY 97 N -1.38 3.17 3.72 0.08 0.00 -1.26 -3.36 105.19 106.15 2x8n n GLY 97 Ca 0.02 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2x8n n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x8n s SER 98 N -3.04 3.70 0.36 1.61 1.04 -1.26 -4.80 113.70 111.31 2x8n s SER 98 Ca 0.28 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.83 2x8n s SER 98 Cb 0.01 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.30 2x8n s SER 98 CO 0.20 -2.58 1.99 0.00 0.98 0.00 0.00 173.24 173.83 2x8n h ALA 99 N -1.37 1.66 -0.26 5.32 0.00 -1.99 -1.50 119.26 121.11 2x8n h ALA 99 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2x8n h ALA 99 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2x8n h ALA 99 CO 0.46 0.27 0.04 -0.22 0.00 0.00 0.00 179.25 179.80 2x8n h LYS 100 N 0.77 0.43 -0.15 0.00 3.11 -1.99 -2.22 116.57 116.52 2x8n h LYS 100 Ca 0.27 -0.11 0.02 0.00 -2.81 0.00 0.00 60.65 58.01 2x8n h LYS 100 Cb 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 2x8n h LYS 100 CO -0.08 0.55 0.04 2.35 -2.81 0.00 0.00 179.45 179.51 2x8n h TRP 101 N 0.24 0.08 0.00 1.91 7.01 -1.70 -1.78 115.95 121.71 2x8n h TRP 101 Ca 0.08 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 2x8n h TRP 101 Cb 0.33 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 2x8n h TRP 101 CO 0.02 0.04 -0.20 0.52 -2.79 0.00 0.00 178.44 176.03 2x8n h MET 102 N 0.12 0.00 -0.18 2.65 2.86 -1.31 0.31 114.93 119.38 2x8n h MET 102 Ca 0.07 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 2x8n h MET 102 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.71 2x8n h MET 102 CO -0.08 0.20 -0.62 0.00 1.06 0.00 0.00 176.91 177.48 2x8n h ALA 103 N 1.80 0.31 0.00 6.32 0.00 -0.78 -3.33 119.26 123.58 2x8n h ALA 103 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2x8n h ALA 103 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2x8n h ALA 103 CO 0.03 0.57 -1.31 -0.85 0.00 0.00 0.00 179.25 177.69 2x8n n GLU 104 N -4.06 0.62 -3.95 0.00 0.28 -0.73 -4.58 120.64 108.22 2x8n n GLU 104 Ca -0.07 0.17 -0.30 0.00 -0.16 0.00 0.00 57.16 56.80 2x8n n GLU 104 Cb 0.66 -1.80 -0.14 0.00 1.43 0.00 0.00 31.44 31.59 2x8n n GLU 104 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2x8n s HIS 105 N -3.10 3.21 0.23 -1.84 3.76 0.08 -5.10 115.29 112.54 2x8n s HIS 105 Ca -0.02 -3.13 -0.31 0.00 -0.15 0.00 0.00 55.06 51.45 2x8n s HIS 105 Cb 0.09 -2.80 -0.13 0.00 1.11 0.00 0.00 32.58 30.85 2x8n s HIS 105 CO 0.81 -0.77 1.41 -0.35 -0.85 0.00 0.00 174.74 174.99 2x8n n PRO 106 N 3.27 2.01 -3.36 8.40 -0.04 -1.25 -4.40 135.00 139.64 2x8n n PRO 106 Ca 0.05 0.72 -0.19 0.00 -0.04 0.00 0.00 63.50 64.04 2x8n n PRO 106 Cb 0.33 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.42 2x8n n PRO 106 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2x8n s LEU 107 N 0.16 3.90 -0.98 1.53 2.96 -1.26 -5.01 118.68 119.98 2x8n s LEU 107 Ca 0.69 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.20 2x8n s LEU 107 Cb -0.66 -2.79 -0.09 0.00 0.50 0.00 0.00 46.19 43.16 2x8n s LEU 107 CO 0.49 -0.50 2.02 0.00 -1.32 0.00 0.00 176.35 177.04 2x8n s ALA 108 N -2.24 1.45 0.00 5.97 0.00 -1.26 -5.21 121.76 120.47 2x8n s ALA 108 Ca 0.47 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2x8n s ALA 108 Cb -0.10 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.42 2x8n s ALA 108 CO 0.32 -5.28 0.00 0.45 0.00 0.00 0.00 175.76 171.25