#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 4.41 -0.01 0.03 2.12 -1.26 -5.06 118.70 118.93 2x8n s GLU 2 Ca 0.00 2.13 0.01 0.00 0.36 0.00 0.00 54.97 57.47 2x8n s GLU 2 Cb 0.00 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2x8n s GLU 2 CO 0.00 -0.13 -0.04 0.54 -0.54 0.00 0.00 175.26 175.09 2x8n s VAL 3 N -0.97 0.40 -0.58 3.70 0.11 -1.26 -5.10 120.40 116.70 2x8n s VAL 3 Ca 0.49 -0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 59.12 2x8n s VAL 3 Cb -0.38 -0.37 -0.06 0.00 -1.53 0.00 0.00 36.38 34.04 2x8n s VAL 3 CO 0.49 0.14 2.21 -0.44 -3.33 0.00 0.00 175.10 174.16 2x8n s SER 4 N 0.22 4.69 0.06 3.54 0.01 -1.26 -4.76 113.70 116.20 2x8n s SER 4 Ca -0.02 0.65 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 2x8n s SER 4 Cb -0.06 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2x8n s SER 4 CO -0.00 -2.80 -0.02 0.00 0.41 0.00 0.00 173.24 170.83 2x8n s ALA 5 N 11.31 0.56 0.31 1.44 0.00 -1.26 -5.05 121.76 129.07 2x8n s ALA 5 Ca 0.86 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2x8n s ALA 5 Cb -0.15 0.34 0.51 0.00 0.00 0.00 0.00 23.12 23.82 2x8n s ALA 5 CO 0.21 -0.38 1.85 -2.95 0.00 0.00 0.00 175.76 174.49 2x8n h ASN 6 N 3.12 0.62 1.29 0.00 7.08 -2.01 -2.55 115.58 123.12 2x8n h ASN 6 Ca -0.34 -0.12 -0.02 0.00 -3.08 0.00 0.00 56.30 52.75 2x8n h ASN 6 Cb 1.15 -0.16 -0.00 0.00 -2.08 0.00 0.00 38.32 37.22 2x8n h ASN 6 CO 0.65 0.66 -0.08 1.05 -2.08 0.00 0.00 177.43 177.63 2x8n h GLU 7 N 0.63 0.00 0.00 4.14 4.11 -1.97 -2.73 114.58 118.77 2x8n h GLU 7 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2x8n h GLU 7 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2x8n h GLU 7 CO 0.01 0.08 -0.07 1.25 0.07 0.00 0.00 179.01 180.35 2x8n h LEU 8 N 0.00 0.00 2.08 3.06 7.12 -1.75 -3.47 115.31 122.36 2x8n h LEU 8 Ca -0.00 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.82 2x8n h LEU 8 Cb 0.75 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.86 2x8n h LEU 8 CO 0.01 0.07 -0.26 -1.84 -0.13 0.00 0.00 178.44 176.30 2x8n n GLU 9 N -3.15 -2.58 0.26 1.25 0.28 -1.03 -4.84 120.64 110.83 2x8n n GLU 9 Ca 0.02 0.39 0.11 0.00 -0.16 0.00 0.00 57.16 57.52 2x8n n GLU 9 Cb 0.43 -4.97 0.73 0.00 1.43 0.00 0.00 31.44 29.06 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 0.99 1.53 -0.13 -1.84 0.00 -1.87 -0.97 119.26 116.98 2x8n h ALA 10 Ca -0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2x8n h ALA 10 Cb 1.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2x8n h ALA 10 CO 0.27 0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.49 2x8n h ALA 11 N 1.91 0.19 -0.50 0.00 0.00 -1.92 0.07 119.26 119.01 2x8n h ALA 11 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2x8n h ALA 11 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2x8n h ALA 11 CO 0.01 0.06 0.13 0.77 0.00 0.00 0.00 179.25 180.22 2x8n h SER 12 N -0.08 0.76 0.64 0.00 0.02 -1.71 -2.19 113.55 110.99 2x8n h SER 12 Ca 0.02 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 2x8n h SER 12 Cb 0.67 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2x8n h SER 12 CO 0.03 0.79 -0.39 0.28 -1.14 0.00 0.00 176.83 176.40 2x8n h SER 13 N 0.69 0.00 -0.22 3.07 0.02 -1.27 -2.71 113.55 113.12 2x8n h SER 13 Ca 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2x8n h SER 13 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2x8n h SER 13 CO 0.00 0.39 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.93 2x8n h ARG 14 N 0.00 0.43 -0.81 3.45 9.65 -0.64 -1.90 114.38 124.56 2x8n h ARG 14 Ca -0.00 -0.17 0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2x8n h ARG 14 Cb 0.81 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.32 2x8n h ARG 14 CO 0.05 0.68 0.53 0.52 2.80 0.00 0.00 179.97 184.55 2x8n h MET 15 N 0.16 0.82 -0.01 0.20 2.86 -1.18 0.19 114.93 117.96 2x8n h MET 15 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2x8n h MET 15 Cb 0.52 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2x8n h MET 15 CO 0.02 0.54 0.01 1.49 1.06 0.00 0.00 176.91 180.03 2x8n h GLU 16 N 0.84 0.01 0.00 1.72 4.81 -1.38 -2.59 114.58 118.00 2x8n h GLU 16 Ca 0.36 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2x8n h GLU 16 Cb 0.30 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2x8n h GLU 16 CO -0.13 0.03 -0.21 0.52 -0.73 0.00 0.00 179.01 178.49 2x8n h MET 17 N -0.01 0.00 -0.02 1.92 2.86 -0.35 -2.64 114.93 116.69 2x8n h MET 17 Ca 0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2x8n h MET 17 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2x8n h MET 17 CO -0.00 0.21 -0.79 -0.07 1.06 0.00 0.00 176.91 177.32 2x8n h LEU 18 N 0.00 0.21 0.08 1.22 3.38 -0.57 0.47 115.31 120.10 2x8n h LEU 18 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2x8n h LEU 18 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2x8n h LEU 18 CO 0.03 0.91 -0.04 1.56 0.09 0.00 0.00 178.44 180.99 2x8n h GLN 19 N 0.11 -0.10 0.00 1.13 4.20 -1.12 -2.33 115.11 117.00 2x8n h GLN 19 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2x8n h GLN 19 Cb 1.38 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2x8n h GLN 19 CO 0.12 0.19 0.00 2.89 -0.67 0.00 0.00 178.83 181.36 2x8n n ARG 20 N -5.00 0.17 -0.03 1.46 1.85 -1.05 -2.51 116.66 111.55 2x8n n ARG 20 Ca -0.08 0.15 -0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2x8n n ARG 20 Cb 0.19 -1.71 -0.00 0.00 -1.05 0.00 0.00 32.46 29.89 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 -0.03 0.00 2.89 4.57 -0.91 -3.47 114.58 117.64 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 0.64 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2x8n h GLU 21 CO 0.00 -0.02 0.00 0.66 -1.18 0.00 0.00 179.01 178.47 2x8n n TYR 22 N -4.24 0.00 -3.60 0.92 4.02 -0.88 -5.08 117.16 108.30 2x8n n TYR 22 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 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 -1.12 -1.01 0.00 0.00 176.86 174.73 2x8n s SER 23 N -1.00 -0.05 0.04 7.72 0.01 -1.04 -4.84 113.70 114.53 2x8n s SER 23 Ca 0.00 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2x8n s SER 23 Cb 0.00 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 2x8n s SER 23 CO 0.00 -0.20 0.11 0.42 0.41 0.00 0.00 173.24 173.98 2x8n s THR 24 N -2.30 4.82 -0.09 1.44 -4.23 -1.26 -4.51 115.64 109.51 2x8n s THR 24 Ca 0.13 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 2x8n s THR 24 Cb 0.04 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 2x8n s THR 24 CO -0.05 0.22 1.20 -0.22 -0.54 0.00 0.00 174.62 175.24 2x8n s LEU 25 N -2.15 4.25 -0.22 4.79 2.96 -0.58 -0.91 118.68 126.80 2x8n s LEU 25 Ca 0.28 1.76 0.06 0.00 -0.22 0.00 0.00 54.13 56.01 2x8n s LEU 25 Cb -0.12 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 2x8n s LEU 25 CO 0.20 -0.63 -0.06 -2.11 -1.32 0.00 0.00 176.35 172.43 2x8n n ARG 26 N 5.59 0.67 -3.75 1.98 1.85 -0.85 -4.90 116.66 117.26 2x8n n ARG 26 Ca 0.12 0.12 -0.12 0.00 -1.00 0.00 0.00 57.85 56.97 2x8n n ARG 26 Cb 0.46 -1.55 -0.07 0.00 -1.05 0.00 0.00 32.46 30.25 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 -6.26 -0.15 -0.02 2.89 0.01 -0.99 -5.03 113.70 104.16 2x8n s SER 27 Ca -0.26 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2x8n s SER 27 Cb 0.08 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2x8n s SER 27 CO 0.69 -0.60 -0.04 -0.69 0.41 0.00 0.00 173.24 173.00 2x8n s VAL 28 N -2.43 0.41 -0.06 3.43 1.01 -1.26 -0.64 120.40 120.86 2x8n s VAL 28 Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2x8n s VAL 28 Cb -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2x8n s VAL 28 CO -0.02 0.15 0.01 0.00 0.00 0.00 0.00 175.10 175.23 2x8n s GLN 29 N 0.28 0.49 -0.44 2.72 -2.07 -0.43 -5.00 119.66 115.21 2x8n s GLN 29 Ca -0.03 0.12 -0.29 0.00 -1.82 0.00 0.00 55.36 53.34 2x8n s GLN 29 Cb -0.07 -0.83 0.02 0.00 -1.09 0.00 0.00 33.01 31.05 2x8n s GLN 29 CO -0.00 -0.26 1.16 -0.47 -1.32 0.00 0.00 175.29 174.39 2x8n s TYR 30 N 1.76 2.84 -0.56 9.60 6.14 -1.26 -1.10 117.35 134.77 2x8n s TYR 30 Ca 0.01 0.81 -0.21 0.00 0.64 0.00 0.00 57.07 58.32 2x8n s TYR 30 Cb -0.13 -4.27 0.06 0.00 0.42 0.00 0.00 41.96 38.04 2x8n s TYR 30 CO -0.04 -1.25 0.78 1.03 0.64 0.00 0.00 175.55 176.71 2x8n s ARG 31 N 4.34 3.17 0.40 4.97 0.52 -0.40 -4.92 118.95 127.03 2x8n s ARG 31 Ca 0.49 -0.76 0.13 0.00 -0.52 0.00 0.00 55.73 55.06 2x8n s ARG 31 Cb -0.09 -4.13 0.81 0.00 0.52 0.00 0.00 34.95 32.06 2x8n s ARG 31 CO 0.28 -1.44 1.89 0.77 0.02 0.00 0.00 175.30 176.83 2x8n h SER 32 N 9.21 0.04 -0.00 0.23 0.02 -1.95 0.12 113.55 121.21 2x8n h SER 32 Ca -0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2x8n h SER 32 Cb 1.08 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2x8n h SER 32 CO 1.05 0.32 0.00 1.05 -1.14 0.00 0.00 176.83 178.12 2x8n h GLU 33 N 0.04 0.00 0.00 3.45 4.11 -1.95 -2.57 114.58 117.65 2x8n h GLU 33 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 2x8n h GLU 33 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2x8n h GLU 33 CO 0.04 0.00 -1.67 0.39 0.07 0.00 0.00 179.01 177.84 2x8n n GLU 34 N -4.09 0.87 -1.56 1.06 -0.58 -1.06 -5.02 120.64 110.26 2x8n n GLU 34 Ca -0.03 -0.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.57 2x8n n GLU 34 Cb 0.09 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.90 0.52 3.40 0.62 0.00 0.38 -5.05 105.19 106.96 2x8n n GLY 35 Ca -0.08 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.24 2.18 -0.24 1.61 -7.23 -0.98 -4.43 120.40 109.08 2x8n s VAL 36 Ca 0.00 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 2x8n s VAL 36 Cb 0.00 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2x8n s VAL 36 CO 0.00 -0.23 0.47 -0.63 -0.31 0.00 0.00 175.10 174.40 2x8n s ILE 37 N -1.92 5.12 -0.19 -0.62 1.01 0.10 -1.27 121.20 123.44 2x8n s ILE 37 Ca 0.20 0.81 -0.06 0.00 0.00 0.00 0.00 60.65 61.59 2x8n s ILE 37 Cb -0.07 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2x8n s ILE 37 CO 0.09 0.16 0.04 -0.69 0.00 0.00 0.00 174.94 174.54 2x8n s VAL 38 N 1.89 4.47 -0.45 2.92 1.01 -0.26 -2.49 120.40 127.49 2x8n s VAL 38 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2x8n s VAL 38 Cb -0.15 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.33 2x8n s VAL 38 CO 0.09 0.45 0.27 -0.36 0.00 0.00 0.00 175.10 175.55 2x8n s PHE 39 N 0.58 3.53 -0.28 5.22 0.08 -0.10 -1.31 117.98 125.70 2x8n s PHE 39 Ca 0.02 -2.33 -0.29 0.00 0.12 0.00 0.00 56.93 54.45 2x8n s PHE 39 Cb -0.13 -3.29 0.01 0.00 -0.57 0.00 0.00 43.02 39.03 2x8n s PHE 39 CO 0.02 -0.96 1.17 0.42 -0.10 0.00 0.00 175.22 175.76 2x8n s ILE 40 N 1.04 4.38 0.80 0.64 1.01 0.18 -1.41 121.20 127.84 2x8n s ILE 40 Ca 0.09 1.61 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 2x8n s ILE 40 Cb -0.23 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.06 2x8n s ILE 40 CO -0.03 -0.39 1.15 -0.76 0.00 0.00 0.00 174.94 174.91 2x8n s LEU 41 N 3.79 2.58 0.43 2.97 1.43 -0.28 -2.00 118.68 127.61 2x8n s LEU 41 Ca 0.50 0.67 0.18 0.00 -1.03 0.00 0.00 54.13 54.45 2x8n s LEU 41 Cb -0.15 -3.16 0.97 0.00 0.03 0.00 0.00 46.19 43.88 2x8n s LEU 41 CO 0.16 -1.90 1.91 0.00 0.23 0.00 0.00 176.35 176.75 2x8n h ALA 42 N -1.00 1.33 -0.00 4.21 0.00 -1.37 -0.21 119.26 122.21 2x8n h ALA 42 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2x8n h ALA 42 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x8n h ALA 42 CO 0.63 0.34 -0.13 0.27 0.00 0.00 0.00 179.25 180.35 2x8n n ASN 43 N -3.89 0.30 -2.41 0.00 0.23 -1.26 -4.96 115.26 103.27 2x8n n ASN 43 Ca -0.02 -0.20 -0.09 0.00 -0.53 0.00 0.00 54.58 53.73 2x8n n ASN 43 Cb 0.35 -0.15 0.05 0.00 -2.08 0.00 0.00 39.78 37.95 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 -1.22 -2.58 -4.67 0.53 9.92 -0.09 -5.07 116.55 113.37 2x8n n ASP 44 Ca 0.11 -0.37 -0.35 0.00 -0.53 0.00 0.00 54.79 53.66 2x8n n ASP 44 Cb 0.30 -3.16 -0.09 0.00 -0.64 0.00 0.00 41.12 37.53 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2x8n s ARG 45 N -4.57 4.06 -0.52 -1.24 3.52 -1.26 -4.82 118.95 114.12 2x8n s ARG 45 Ca 0.06 -0.29 -0.18 0.00 -0.13 0.00 0.00 55.73 55.18 2x8n s ARG 45 Cb -0.01 -3.30 0.07 0.00 -1.56 0.00 0.00 34.95 30.16 2x8n s ARG 45 CO 0.42 0.28 0.59 -1.21 -0.81 0.00 0.00 175.30 174.57 2x8n s GLU 46 N 0.38 3.07 -0.18 5.12 8.01 -1.26 -1.12 118.70 132.72 2x8n s GLU 46 Ca 0.05 -1.10 -0.29 0.00 0.01 0.00 0.00 54.97 53.64 2x8n s GLU 46 Cb -0.12 -4.15 0.00 0.00 -4.31 0.00 0.00 34.13 25.55 2x8n s GLU 46 CO -0.01 -1.26 1.05 -0.51 0.01 0.00 0.00 175.26 174.55 2x8n s LEU 47 N 2.42 4.15 -0.36 1.80 1.43 -0.50 -4.80 118.68 122.83 2x8n s LEU 47 Ca 0.12 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2x8n s LEU 47 Cb -0.22 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.55 2x8n s LEU 47 CO 0.09 -0.61 0.10 -0.75 0.23 0.00 0.00 176.35 175.42 2x8n s LYS 48 N 2.84 1.90 0.03 1.70 2.20 -1.26 -0.93 119.74 126.21 2x8n s LYS 48 Ca 0.46 -1.73 0.03 0.00 -0.36 0.00 0.00 55.97 54.37 2x8n s LYS 48 Cb -0.17 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2x8n s LYS 48 CO 0.11 -0.93 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.02 2x8n s PHE 49 N 1.07 0.80 0.57 4.03 0.08 -1.04 -5.02 117.98 118.47 2x8n s PHE 49 Ca 0.06 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 2x8n s PHE 49 Cb -0.21 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.71 2x8n s PHE 49 CO -0.05 -0.02 1.05 1.03 -0.10 0.00 0.00 175.22 177.12 2x8n s ARG 50 N -0.99 3.48 0.33 0.44 3.00 -1.26 -0.72 118.95 123.23 2x8n s ARG 50 Ca -0.03 1.20 0.13 0.00 0.00 0.00 0.00 55.73 57.03 2x8n s ARG 50 Cb -0.07 -2.06 1.02 0.00 0.00 0.00 0.00 34.95 33.85 2x8n s ARG 50 CO 0.00 -0.68 1.68 -1.35 0.00 0.00 0.00 175.30 174.95 2x8n h PRO 51 N 0.68 0.39 0.00 3.54 0.11 -1.84 -2.09 132.00 132.79 2x8n h PRO 51 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2x8n h PRO 51 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2x8n h PRO 51 CO 0.58 0.26 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.93 2x8n h ASP 52 N 0.40 0.00 -0.05 -2.05 5.19 -1.94 -2.42 116.42 115.55 2x8n h ASP 52 Ca 0.70 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 57.12 2x8n h ASP 52 Cb 1.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 2x8n h ASP 52 CO -0.57 0.26 -0.01 0.44 -3.12 0.00 0.00 179.24 176.24 2x8n h ASP 53 N 0.00 -0.05 -3.45 6.45 5.19 -1.75 -3.46 116.42 119.37 2x8n h ASP 53 Ca -0.00 0.02 -0.54 0.00 -0.62 0.00 0.00 57.03 55.88 2x8n h ASP 53 Cb 0.50 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2x8n h ASP 53 CO 0.03 -0.02 0.03 -0.76 -3.12 0.00 0.00 179.24 175.41 2x8n s LEU 54 N -10.25 4.38 0.17 1.55 1.43 -0.93 -4.69 118.68 110.33 2x8n s LEU 54 Ca -0.13 1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 2x8n s LEU 54 Cb 0.07 -3.38 0.06 0.00 0.03 0.00 0.00 46.19 42.97 2x8n s LEU 54 CO 0.67 0.09 1.73 -0.61 0.23 0.00 0.00 176.35 178.46 2x8n h GLN 55 N 3.64 0.83 -0.72 1.70 -0.00 -1.64 -2.47 115.11 116.45 2x8n h GLN 55 Ca -0.48 -0.14 0.09 0.00 -0.00 0.00 0.00 58.65 58.12 2x8n h GLN 55 Cb 1.20 -0.14 -0.07 0.00 0.00 0.00 0.00 27.48 28.47 2x8n h GLN 55 CO 0.65 0.70 0.36 0.00 0.00 0.00 0.00 178.83 180.54 2x8n h ALA 56 N 1.08 0.99 -0.01 3.38 0.00 -1.84 -3.28 119.26 119.58 2x8n h ALA 56 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2x8n h ALA 56 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x8n h ALA 56 CO -0.02 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.44 2x8n n THR 57 N -4.86 1.76 -1.98 0.00 -2.24 -1.17 -4.84 114.28 100.95 2x8n n THR 57 Ca 0.11 -2.07 -0.25 0.00 -2.27 0.00 0.00 64.05 59.57 2x8n n THR 57 Cb 0.27 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.59 1.72 0.00 4.78 5.04 -0.94 -1.71 117.35 123.65 2x8n s TYR 58 Ca 0.27 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 2x8n s TYR 58 Cb 0.24 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2x8n s TYR 58 CO 0.03 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 172.96 2x8n n GLY 59 N 6.80 0.77 3.85 8.97 0.00 -1.26 -5.02 105.19 119.29 2x8n n GLY 59 Ca 0.41 -0.30 -0.33 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 -2.00 3.33 0.25 4.61 0.00 -0.69 -5.09 121.76 122.17 2x8n s ALA 60 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 2x8n s ALA 60 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.27 2x8n s ALA 60 CO 0.00 0.33 0.69 0.95 0.00 0.00 0.00 175.76 177.73 2x8n s THR 61 N -1.97 4.69 0.59 0.00 -4.23 -1.26 -4.99 115.64 108.47 2x8n s THR 61 Ca 0.54 1.00 0.29 0.00 -1.18 0.00 0.00 61.69 62.34 2x8n s THR 61 Cb -0.10 -3.71 0.36 0.00 1.34 0.00 0.00 72.50 70.39 2x8n s THR 61 CO 0.17 0.02 2.06 1.55 -0.54 0.00 0.00 174.62 177.88 2x8n h PRO 62 N 2.87 0.00 -0.13 3.99 0.13 -1.98 -1.21 132.00 135.67 2x8n h PRO 62 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2x8n h PRO 62 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2x8n h PRO 62 CO 0.66 0.00 -0.02 1.05 -0.23 0.00 0.00 178.00 179.45 2x8n h GLU 63 N 0.00 0.19 0.00 0.86 4.11 -2.02 -1.74 114.58 115.98 2x8n h GLU 63 Ca 0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 2x8n h GLU 63 Cb 0.62 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2x8n h GLU 63 CO -0.00 0.23 -0.08 1.96 0.07 0.00 0.00 179.01 181.19 2x8n h GLN 64 N 0.19 0.00 -0.69 1.06 4.20 -1.58 -3.29 115.11 115.01 2x8n h GLN 64 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2x8n h GLN 64 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2x8n h GLN 64 CO 0.01 0.01 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 2x8n n LEU 65 N -3.07 4.65 -0.11 1.46 4.77 -0.68 -3.73 117.00 120.29 2x8n n LEU 65 Ca 0.04 -2.34 -0.22 0.00 -0.03 0.00 0.00 56.01 53.45 2x8n n LEU 65 Cb 0.53 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 2x8n n LEU 65 CO 0.35 0.87 -0.77 0.54 -1.33 0.00 0.00 177.39 177.04 2x8n n ARG 66 N 1.31 0.56 -2.76 3.23 1.74 -1.07 -4.17 116.66 115.50 2x8n n ARG 66 Ca 0.26 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2x8n n ARG 66 Cb 0.84 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.41 3.36 0.06 5.56 -1.05 -1.24 -4.97 118.70 118.01 2x8n s GLU 67 Ca -0.31 -1.04 0.03 0.00 -0.15 0.00 0.00 54.97 53.51 2x8n s GLU 67 Cb 0.08 -4.65 -0.03 0.00 -0.44 0.00 0.00 34.13 29.09 2x8n s GLU 67 CO 0.53 -1.95 -0.09 0.42 0.95 0.00 0.00 175.26 175.11 2x8n s ILE 68 N 4.20 0.75 0.12 1.83 1.01 -1.26 -4.42 121.20 123.43 2x8n s ILE 68 Ca 0.32 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.70 2x8n s ILE 68 Cb -0.08 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2x8n s ILE 68 CO 0.01 -0.43 -0.13 -0.70 0.00 0.00 0.00 174.94 173.69 2x8n s GLU 69 N -2.08 1.00 0.59 2.79 2.56 -0.99 -4.96 118.70 117.60 2x8n s GLU 69 Ca -0.03 -1.26 -0.16 0.00 0.00 0.00 0.00 54.97 53.53 2x8n s GLU 69 Cb -0.07 -0.80 -0.04 0.00 2.00 0.00 0.00 34.13 35.22 2x8n s GLU 69 CO 0.00 0.14 1.05 0.42 -0.56 0.00 0.00 175.26 176.31 2x8n s ILE 70 N -2.36 3.95 0.83 -3.70 -1.09 -1.26 -0.82 121.20 116.74 2x8n s ILE 70 Ca 0.09 0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 59.29 2x8n s ILE 70 Cb -0.03 -3.44 0.05 0.00 -1.58 0.00 0.00 42.46 37.45 2x8n s ILE 70 CO 0.02 -0.56 0.87 -1.54 -1.23 0.00 0.00 174.94 172.50 2x8n n SER 71 N -2.01 -0.21 0.06 3.58 3.41 -0.86 -4.11 113.62 113.48 2x8n n SER 71 Ca 0.08 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 2x8n n SER 71 Cb 0.53 -1.37 0.38 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.43 0.09 0.07 4.33 -0.04 -1.26 -1.54 135.00 134.21 2x8n n PRO 72 Ca 0.11 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 2x8n n PRO 72 Cb 0.51 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2x8n n PRO 72 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x8n n SER 73 N -1.84 0.70 0.00 3.54 3.41 -1.26 -4.98 113.62 113.18 2x8n n SER 73 Ca 0.03 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2x8n n SER 73 Cb 0.18 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 2x8n n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x8n n GLY 74 N 1.24 2.84 0.00 5.00 0.00 -0.59 -4.90 105.19 108.78 2x8n n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.23 0.00 0.99 4.77 -1.26 -2.81 117.00 118.91 2x8n n LEU 75 Ca 0.00 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2x8n n LEU 75 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2x8n n LEU 75 CO 0.00 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 2x8n n GLY 76 N 0.32 1.41 3.48 -0.72 0.00 -1.26 -1.53 105.19 106.89 2x8n n GLY 76 Ca 0.00 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 3.50 1.93 -0.26 1.61 0.11 -0.59 -2.03 120.40 124.67 2x8n s VAL 77 Ca 0.00 -2.17 -0.04 0.00 -2.93 0.00 0.00 61.98 56.85 2x8n s VAL 77 Cb 0.00 -2.54 0.10 0.00 -1.53 0.00 0.00 36.38 32.40 2x8n s VAL 77 CO 0.00 -0.25 0.15 -0.47 -3.33 0.00 0.00 175.10 171.19 2x8n s TYR 78 N -2.82 0.16 -0.79 1.54 6.14 -0.00 -2.32 117.35 119.25 2x8n s TYR 78 Ca 0.31 -0.61 -0.26 0.00 0.64 0.00 0.00 57.07 57.16 2x8n s TYR 78 Cb 0.03 -0.77 0.02 0.00 0.42 0.00 0.00 41.96 41.66 2x8n s TYR 78 CO 0.14 -0.76 1.50 -0.06 0.64 0.00 0.00 175.55 177.01 2x8n s PHE 79 N 2.15 2.17 0.38 4.97 0.08 0.36 -2.35 117.98 125.75 2x8n s PHE 79 Ca 0.07 0.00 0.09 0.00 0.12 0.00 0.00 56.93 57.22 2x8n s PHE 79 Cb -0.16 -4.48 0.78 0.00 -0.57 0.00 0.00 43.02 38.59 2x8n s PHE 79 CO -0.29 -2.06 1.92 1.49 -0.10 0.00 0.00 175.22 176.17 2x8n h GLU 80 N 11.08 0.27 -0.66 0.44 4.81 -1.81 0.24 114.58 128.94 2x8n h GLU 80 Ca -0.13 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2x8n h GLU 80 Cb 1.06 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2x8n h GLU 80 CO 1.29 0.39 0.44 1.15 -0.73 0.00 0.00 179.01 181.55 2x8n h THR 81 N 0.26 1.08 0.00 0.32 2.02 -1.88 -2.61 112.91 112.09 2x8n h THR 81 Ca 0.05 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2x8n h THR 81 Cb 0.35 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2x8n h THR 81 CO 0.02 0.14 -1.02 0.18 0.37 0.00 0.00 175.52 175.21 2x8n n LEU 82 N -4.46 0.78 -2.16 2.58 4.77 -0.66 -4.97 117.00 112.88 2x8n n LEU 82 Ca 0.08 -0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 55.55 2x8n n LEU 82 Cb 0.15 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2x8n n LEU 82 CO 0.35 0.18 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.73 2x8n n GLU 83 N -1.63 -1.64 -4.08 3.23 1.02 -0.02 -4.98 120.64 112.53 2x8n n GLU 83 Ca 0.03 1.05 -0.14 0.00 -0.02 0.00 0.00 57.16 58.08 2x8n n GLU 83 Cb 0.37 -5.62 -0.12 0.00 -0.02 0.00 0.00 31.44 26.05 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 -4.65 0.56 0.27 3.49 2.56 -0.87 -5.00 118.70 115.07 2x8n s GLU 84 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 54.97 54.29 2x8n s GLU 84 Cb 0.00 -0.37 -0.04 0.00 2.00 0.00 0.00 34.13 35.72 2x8n s GLU 84 CO 0.00 0.07 0.09 0.16 -0.56 0.00 0.00 175.26 175.02 2x8n s ASP 85 N -1.55 4.94 -0.31 -1.70 1.47 -1.26 -0.48 116.67 117.77 2x8n s ASP 85 Ca -0.09 -0.50 0.02 0.00 1.18 0.00 0.00 52.55 53.17 2x8n s ASP 85 Cb -0.10 -1.05 0.09 0.00 -0.34 0.00 0.00 42.92 41.52 2x8n s ASP 85 CO 0.01 -0.04 0.03 -0.69 0.68 0.00 0.00 175.17 175.16 2x8n s VAL 86 N -2.26 1.86 0.12 2.11 1.01 -0.98 -4.23 120.40 118.04 2x8n s VAL 86 Ca 0.33 -1.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.08 2x8n s VAL 86 Cb -0.07 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2x8n s VAL 86 CO 0.22 -0.49 1.56 -0.44 0.00 0.00 0.00 175.10 175.95 2x8n s SER 87 N 1.14 6.64 0.03 3.32 0.01 -1.26 -1.54 113.70 122.04 2x8n s SER 87 Ca 0.06 2.52 -0.25 0.00 1.31 0.00 0.00 55.95 59.59 2x8n s SER 87 Cb -0.19 -2.58 -0.18 0.00 0.21 0.00 0.00 66.02 63.29 2x8n s SER 87 CO -0.11 -0.81 1.48 0.25 0.41 0.00 0.00 173.24 174.45 2x8n h LEU 88 N 7.35 -0.07 -1.27 2.44 5.85 -1.89 -1.69 115.31 126.03 2x8n h LEU 88 Ca -0.42 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.12 2x8n h LEU 88 Cb 1.20 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2x8n h LEU 88 CO 0.91 0.18 0.52 0.40 -0.34 0.00 0.00 178.44 180.11 2x8n h ILE 89 N -0.33 1.09 -0.03 4.05 1.08 -1.92 -0.65 117.51 120.80 2x8n h ILE 89 Ca -0.01 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2x8n h ILE 89 Cb 0.29 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 2x8n h ILE 89 CO 0.01 0.17 -0.12 1.23 -0.69 0.00 0.00 178.15 178.76 2x8n h GLY 90 N 0.93 -0.11 1.50 5.37 0.00 -1.73 -0.77 103.07 108.26 2x8n h GLY 90 Ca 0.33 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.81 2x8n h GLY 90 CO -0.10 -0.12 0.30 1.41 0.00 0.00 0.00 176.54 178.02 2x8n h LEU 91 N -0.18 0.46 -0.59 3.11 3.38 -0.21 0.50 115.31 121.77 2x8n h LEU 91 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2x8n h LEU 91 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2x8n h LEU 91 CO -0.14 0.32 -0.67 -0.07 0.09 0.00 0.00 178.44 177.97 2x8n h LEU 92 N 0.54 0.00 0.00 1.67 3.38 -0.94 -2.89 115.31 117.06 2x8n h LEU 92 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2x8n h LEU 92 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2x8n h LEU 92 CO -0.04 0.67 -0.52 -0.33 0.09 0.00 0.00 178.44 178.31 2x8n h GLU 93 N 0.00 0.00 0.00 1.13 5.08 0.13 -3.48 114.58 117.44 2x8n h GLU 93 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2x8n h GLU 93 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2x8n h GLU 93 CO 0.09 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 2x8n n GLY 94 N 1.21 0.12 3.57 -3.84 0.00 0.62 -5.05 105.19 101.82 2x8n n GLY 94 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.97 2.75 0.16 1.61 3.52 0.14 -4.85 118.95 121.32 2x8n s ARG 95 Ca 0.00 1.12 0.23 0.00 -0.13 0.00 0.00 55.73 56.95 2x8n s ARG 95 Cb 0.00 -4.37 0.07 0.00 -1.56 0.00 0.00 34.95 29.09 2x8n s ARG 95 CO 0.00 -2.55 1.09 0.54 -0.81 0.00 0.00 175.30 173.56 2x8n n ARG 96 N 8.90 0.50 0.00 5.12 1.74 -1.26 -3.14 116.66 128.52 2x8n n ARG 96 Ca 0.25 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2x8n n ARG 96 Cb 0.51 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2x8n n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x8n n GLY 97 N 1.24 3.28 3.77 -0.13 0.00 -1.26 -1.86 105.19 110.22 2x8n n GLY 97 Ca 0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 2.00 6.81 0.31 1.61 0.15 -1.26 -4.93 113.70 118.40 2x8n s SER 98 Ca 0.00 2.65 0.01 0.00 0.70 0.00 0.00 55.95 59.31 2x8n s SER 98 Cb 0.00 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.20 2x8n s SER 98 CO 0.00 -0.50 1.93 0.00 1.20 0.00 0.00 173.24 175.86 2x8n h ALA 99 N 3.42 1.52 0.37 5.45 0.00 -1.99 -0.20 119.26 127.81 2x8n h ALA 99 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2x8n h ALA 99 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2x8n h ALA 99 CO 0.66 0.36 -0.29 -0.22 0.00 0.00 0.00 179.25 179.76 2x8n h LYS 100 N 1.01 -0.63 -0.91 0.00 3.64 -2.00 -2.59 116.57 115.09 2x8n h LYS 100 Ca 0.37 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.91 2x8n h LYS 100 Cb 0.15 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 2x8n h LYS 100 CO -0.13 -0.42 0.54 2.35 -2.27 0.00 0.00 179.45 179.52 2x8n h TRP 101 N -0.66 0.97 0.00 1.91 7.01 -1.73 -1.33 115.95 122.12 2x8n h TRP 101 Ca -0.03 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2x8n h TRP 101 Cb 0.57 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2x8n h TRP 101 CO -0.14 0.35 -0.31 0.52 -2.79 0.00 0.00 178.44 176.07 2x8n h MET 102 N 0.84 0.00 0.07 2.65 2.86 -0.98 0.19 114.93 120.56 2x8n h MET 102 Ca 0.46 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.86 2x8n h MET 102 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2x8n h MET 102 CO -0.28 0.31 -1.12 0.00 1.06 0.00 0.00 176.91 176.87 2x8n h ALA 103 N 1.69 0.22 0.00 6.32 0.00 -0.87 -3.31 119.26 123.31 2x8n h ALA 103 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 2x8n h ALA 103 Cb 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2x8n h ALA 103 CO 0.04 1.06 -0.54 0.93 0.00 0.00 0.00 179.25 180.74 2x8n h GLU 104 N 0.05 0.00 -2.94 0.00 5.08 -0.96 -3.38 114.58 112.44 2x8n h GLU 104 Ca -0.08 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.66 2x8n h GLU 104 Cb 1.86 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.69 2x8n h GLU 104 CO 0.17 0.06 -0.65 -1.01 -1.00 0.00 0.00 179.01 176.59 2x8n s HIS 105 N -3.23 3.09 0.05 4.33 3.76 0.62 -5.08 115.29 118.83 2x8n s HIS 105 Ca 0.03 -3.15 -0.30 0.00 -0.15 0.00 0.00 55.06 51.49 2x8n s HIS 105 Cb 0.07 -2.36 -0.08 0.00 1.11 0.00 0.00 32.58 31.32 2x8n s HIS 105 CO 0.73 -0.60 1.83 -2.14 -0.85 0.00 0.00 174.74 173.71 2x8n s PRO 106 N -1.17 4.16 0.26 8.40 0.02 -1.25 -4.61 135.00 140.80 2x8n s PRO 106 Ca 0.26 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.70 2x8n s PRO 106 Cb -0.03 -3.91 -0.06 0.00 0.02 0.00 0.00 34.50 30.52 2x8n s PRO 106 CO -0.17 -0.87 0.54 -1.17 -0.33 0.00 0.00 177.00 175.00 2x8n s LEU 107 N 3.69 4.11 -0.91 -5.54 2.96 -1.26 -5.00 118.68 116.73 2x8n s LEU 107 Ca 0.82 0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 55.28 2x8n s LEU 107 Cb -0.41 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.60 2x8n s LEU 107 CO 0.37 -0.13 2.09 0.00 -1.32 0.00 0.00 176.35 177.36 2x8n s ALA 108 N -1.95 1.31 0.00 5.97 0.00 -1.26 -5.20 121.76 120.64 2x8n s ALA 108 Ca 0.45 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2x8n s ALA 108 Cb -0.11 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2x8n s ALA 108 CO 0.26 -5.32 0.02 0.45 0.00 0.00 0.00 175.76 171.17