#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 2.38 -1.49 0.03 2.02 -1.26 -5.05 118.70 115.33 2x8n s GLU 2 Ca 0.00 -0.91 -0.13 0.00 0.02 0.00 0.00 54.97 53.95 2x8n s GLU 2 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.73 2x8n s GLU 2 CO 0.00 -0.37 2.36 1.33 0.02 0.00 0.00 175.26 178.60 2x8n n VAL 3 N 4.62 3.62 -1.63 2.63 0.24 -1.26 -4.93 118.33 121.63 2x8n n VAL 3 Ca -0.17 -2.95 -0.35 0.00 -2.04 0.00 0.00 64.34 58.83 2x8n n VAL 3 Cb 0.47 -2.61 -0.03 0.00 -1.47 0.00 0.00 33.84 30.20 2x8n n VAL 3 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2x8n s SER 4 N 2.98 4.51 0.27 -1.34 0.15 -1.26 -4.50 113.70 114.51 2x8n s SER 4 Ca 0.51 0.88 -0.21 0.00 0.70 0.00 0.00 55.95 57.83 2x8n s SER 4 Cb 0.15 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2x8n s SER 4 CO -0.08 -2.89 0.81 0.00 1.20 0.00 0.00 173.24 172.27 2x8n s ALA 5 N 11.97 -1.23 0.31 5.45 0.00 -1.26 -5.04 121.76 131.97 2x8n s ALA 5 Ca 0.93 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.64 2x8n s ALA 5 Cb -0.16 0.76 0.52 0.00 0.00 0.00 0.00 23.12 24.24 2x8n s ALA 5 CO 0.24 -1.03 1.74 -0.91 0.00 0.00 0.00 175.76 175.79 2x8n h ASN 6 N 2.00 0.22 0.81 0.00 2.35 -2.03 -2.90 115.58 116.02 2x8n h ASN 6 Ca -0.24 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2x8n h ASN 6 Cb 1.24 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2x8n h ASN 6 CO 0.28 0.58 0.00 -1.84 -1.65 0.00 0.00 177.43 174.80 2x8n n GLU 7 N -4.06 0.18 0.13 0.81 0.28 -1.26 -2.35 120.64 114.37 2x8n n GLU 7 Ca -0.01 0.37 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 2x8n n GLU 7 Cb 0.45 -1.82 0.48 0.00 1.43 0.00 0.00 31.44 31.97 2x8n n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2x8n n LEU 8 N -2.16 0.72 -4.17 -1.84 0.00 -1.09 -4.92 117.00 103.53 2x8n n LEU 8 Ca 0.03 0.65 -0.34 0.00 0.00 0.00 0.00 56.01 56.35 2x8n n LEU 8 Cb 0.25 -0.52 -0.03 0.00 0.00 0.00 0.00 43.42 43.12 2x8n n LEU 8 CO 0.21 -0.48 -0.10 -1.84 0.00 0.00 0.00 177.39 175.18 2x8n n GLU 9 N -2.26 -3.08 -0.05 1.96 0.28 -0.99 -4.85 120.64 111.65 2x8n n GLU 9 Ca 0.03 0.36 -0.10 0.00 -0.16 0.00 0.00 57.16 57.29 2x8n n GLU 9 Cb 0.28 -4.90 -0.04 0.00 1.43 0.00 0.00 31.44 28.21 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 0.89 -0.38 -0.36 -1.84 0.00 -1.83 -0.70 119.26 115.05 2x8n h ALA 10 Ca -0.60 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2x8n h ALA 10 Cb 1.38 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2x8n h ALA 10 CO 0.74 -0.81 0.24 0.00 0.00 0.00 0.00 179.25 179.42 2x8n h ALA 11 N 0.45 0.46 -0.64 0.00 0.00 -1.98 -0.47 119.26 117.08 2x8n h ALA 11 Ca 0.12 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2x8n h ALA 11 Cb 0.57 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2x8n h ALA 11 CO -0.44 -0.08 0.34 1.03 0.00 0.00 0.00 179.25 180.10 2x8n h SER 12 N 0.49 0.47 0.86 0.00 0.87 -1.66 -0.66 113.55 113.92 2x8n h SER 12 Ca 0.13 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 2x8n h SER 12 Cb -0.06 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2x8n h SER 12 CO -0.03 0.30 -0.69 0.28 -0.53 0.00 0.00 176.83 176.16 2x8n h SER 13 N 0.61 0.00 -0.32 6.23 0.02 -0.96 -2.76 113.55 116.37 2x8n h SER 13 Ca 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2x8n h SER 13 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2x8n h SER 13 CO -0.20 0.69 0.07 0.03 -1.14 0.00 0.00 176.83 176.27 2x8n h ARG 14 N 0.00 0.52 -0.77 3.45 2.47 -0.37 -2.44 114.38 117.25 2x8n h ARG 14 Ca -0.01 -0.13 0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2x8n h ARG 14 Cb 1.31 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.52 2x8n h ARG 14 CO 0.09 0.60 0.49 0.52 0.56 0.00 0.00 179.97 182.23 2x8n h MET 15 N 0.36 0.94 0.13 0.04 2.86 -1.04 -0.43 114.93 117.79 2x8n h MET 15 Ca 0.10 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2x8n h MET 15 Cb 0.32 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2x8n h MET 15 CO 0.00 0.62 -0.33 0.93 1.06 0.00 0.00 176.91 179.20 2x8n h GLU 16 N 0.97 -0.54 -0.52 1.72 4.39 -1.45 -2.33 114.58 116.81 2x8n h GLU 16 Ca 0.30 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.08 2x8n h GLU 16 Cb -0.02 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2x8n h GLU 16 CO -0.10 -0.36 0.26 0.52 -1.16 0.00 0.00 179.01 178.17 2x8n h MET 17 N -0.56 0.49 -0.46 2.33 2.86 -0.89 -2.40 114.93 116.29 2x8n h MET 17 Ca 0.03 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2x8n h MET 17 Cb 0.59 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2x8n h MET 17 CO -0.18 0.32 0.21 -0.07 1.06 0.00 0.00 176.91 178.25 2x8n h LEU 18 N 0.50 0.58 0.18 1.22 3.38 -0.96 0.32 115.31 120.53 2x8n h LEU 18 Ca 0.23 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2x8n h LEU 18 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2x8n h LEU 18 CO -0.16 0.50 -0.23 1.56 0.09 0.00 0.00 178.44 180.19 2x8n h GLN 19 N 0.65 -0.45 -0.00 1.13 4.20 -0.89 -2.38 115.11 117.36 2x8n h GLN 19 Ca 0.16 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2x8n h GLN 19 Cb 0.08 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2x8n h GLN 19 CO -0.02 -0.30 -0.46 2.89 -0.67 0.00 0.00 178.83 180.27 2x8n n ARG 20 N -5.36 0.40 -0.06 1.46 1.85 -0.96 -3.36 116.66 110.64 2x8n n ARG 20 Ca -0.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 57.85 56.48 2x8n n ARG 20 Cb 0.27 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.17 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 0.62 0.00 0.00 2.89 4.57 -0.37 -3.47 114.58 118.82 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 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 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 -4.25 0.00 -3.56 0.92 4.02 -0.90 -5.07 117.16 108.32 2x8n n TYR 22 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 2x8n n TYR 22 Cb 0.20 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.02 -0.61 0.29 7.72 0.01 -1.15 -5.01 113.70 113.93 2x8n s SER 23 Ca 0.00 0.83 0.03 0.00 1.31 0.00 0.00 55.95 58.12 2x8n s SER 23 Cb 0.00 0.72 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 2x8n s SER 23 CO 0.00 -0.45 0.46 0.42 0.41 0.00 0.00 173.24 174.07 2x8n s THR 24 N -0.73 5.18 -0.13 1.44 -4.23 -1.21 -4.39 115.64 111.56 2x8n s THR 24 Ca -0.06 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.52 2x8n s THR 24 Cb -0.02 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2x8n s THR 24 CO 0.05 -0.45 0.61 -0.22 -0.54 0.00 0.00 174.62 174.07 2x8n s LEU 25 N -4.15 4.24 -0.20 4.79 2.96 -0.77 -0.97 118.68 124.57 2x8n s LEU 25 Ca 0.37 0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 55.15 2x8n s LEU 25 Cb -0.09 -2.89 -0.20 0.00 0.50 0.00 0.00 46.19 43.51 2x8n s LEU 25 CO 0.33 -0.14 0.04 -2.11 -1.32 0.00 0.00 176.35 173.15 2x8n n ARG 26 N 4.23 0.67 -3.67 1.98 1.85 -0.85 -4.83 116.66 116.03 2x8n n ARG 26 Ca -0.03 0.28 -0.12 0.00 -1.00 0.00 0.00 57.85 56.98 2x8n n ARG 26 Cb 0.51 -1.62 -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 -6.92 -0.24 0.02 2.89 0.01 -1.01 -4.95 113.70 103.50 2x8n s SER 27 Ca -0.30 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2x8n s SER 27 Cb 0.09 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 2x8n s SER 27 CO 0.65 -0.71 -0.06 -0.69 0.41 0.00 0.00 173.24 172.83 2x8n s VAL 28 N -2.87 0.45 -0.10 3.43 1.01 -1.26 -0.59 120.40 120.48 2x8n s VAL 28 Ca -0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2x8n s VAL 28 Cb 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.98 2x8n s VAL 28 CO -0.05 -0.12 0.21 0.00 0.00 0.00 0.00 175.10 175.14 2x8n s GLN 29 N -0.79 0.14 -0.54 2.72 -2.07 -0.57 -4.99 119.66 113.56 2x8n s GLN 29 Ca -0.04 0.56 -0.27 0.00 -1.82 0.00 0.00 55.36 53.79 2x8n s GLN 29 Cb -0.06 -0.14 0.03 0.00 -1.09 0.00 0.00 33.01 31.76 2x8n s GLN 29 CO 0.00 -0.22 1.09 -0.47 -1.32 0.00 0.00 175.29 174.37 2x8n s TYR 30 N 1.72 2.73 -0.83 9.60 6.14 -1.26 -1.05 117.35 134.40 2x8n s TYR 30 Ca -0.04 0.34 -0.23 0.00 0.64 0.00 0.00 57.07 57.78 2x8n s TYR 30 Cb -0.11 -4.32 0.07 0.00 0.42 0.00 0.00 41.96 38.01 2x8n s TYR 30 CO -0.08 -1.42 1.20 1.03 0.64 0.00 0.00 175.55 176.92 2x8n s ARG 31 N 4.47 3.35 0.64 4.97 0.52 0.04 -4.85 118.95 128.09 2x8n s ARG 31 Ca 0.40 -0.96 0.42 0.00 -0.52 0.00 0.00 55.73 55.06 2x8n s ARG 31 Cb -0.09 -4.64 2.22 0.00 0.52 0.00 0.00 34.95 32.95 2x8n s ARG 31 CO 0.25 -1.99 2.30 1.03 0.02 0.00 0.00 175.30 176.92 2x8n h SER 32 N 9.58 0.00 -0.07 0.23 0.87 -1.94 0.19 113.55 122.42 2x8n h SER 32 Ca -0.07 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2x8n h SER 32 Cb 1.04 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.95 2x8n h SER 32 CO 1.25 0.00 -0.22 -0.33 -0.53 0.00 0.00 176.83 177.01 2x8n h GLU 33 N 0.00 -0.30 -0.01 2.24 5.08 -1.94 -3.02 114.58 116.63 2x8n h GLU 33 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x8n h GLU 33 Cb 0.08 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2x8n h GLU 33 CO 0.00 -0.20 -0.62 0.39 -1.00 0.00 0.00 179.01 177.58 2x8n n GLU 34 N -5.35 0.66 -2.95 2.33 -0.58 -1.03 -4.98 120.64 108.74 2x8n n GLU 34 Ca -0.04 -0.51 -0.18 0.00 -0.42 0.00 0.00 57.16 56.01 2x8n n GLU 34 Cb 0.26 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.44 -0.27 3.20 0.62 0.00 0.57 -5.03 105.19 105.73 2x8n n GLY 35 Ca 0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.09 1.28 -0.28 1.61 -7.23 -0.53 -4.33 120.40 107.84 2x8n s VAL 36 Ca 0.28 -1.36 -0.19 0.00 -1.81 0.00 0.00 61.98 58.90 2x8n s VAL 36 Cb -0.12 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2x8n s VAL 36 CO 0.35 -0.17 0.58 -0.63 -0.31 0.00 0.00 175.10 174.93 2x8n s ILE 37 N -1.22 5.00 -0.42 -0.62 1.01 0.33 -0.78 121.20 124.50 2x8n s ILE 37 Ca 0.01 0.91 -0.13 0.00 0.00 0.00 0.00 60.65 61.44 2x8n s ILE 37 Cb -0.10 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2x8n s ILE 37 CO 0.03 -0.02 0.29 -0.69 0.00 0.00 0.00 174.94 174.54 2x8n s VAL 38 N 2.47 4.87 -0.75 2.92 1.01 -0.21 -2.10 120.40 128.61 2x8n s VAL 38 Ca 0.24 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 2x8n s VAL 38 Cb -0.15 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.50 2x8n s VAL 38 CO 0.10 -0.39 1.05 -0.36 0.00 0.00 0.00 175.10 175.50 2x8n s PHE 39 N 1.59 2.76 -0.39 5.22 0.08 -0.01 -1.51 117.98 125.73 2x8n s PHE 39 Ca 0.03 -0.76 -0.28 0.00 0.12 0.00 0.00 56.93 56.05 2x8n s PHE 39 Cb -0.21 -4.33 0.02 0.00 -0.57 0.00 0.00 43.02 37.93 2x8n s PHE 39 CO 0.07 -1.65 1.05 0.42 -0.10 0.00 0.00 175.22 175.01 2x8n s ILE 40 N 3.85 4.43 1.12 0.64 1.01 0.25 -1.28 121.20 131.22 2x8n s ILE 40 Ca 0.27 1.40 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 2x8n s ILE 40 Cb -0.13 -4.45 0.25 0.00 0.01 0.00 0.00 42.46 38.14 2x8n s ILE 40 CO 0.04 -0.67 1.06 -0.76 0.00 0.00 0.00 174.94 174.61 2x8n s LEU 41 N 3.86 0.99 0.46 2.97 1.43 -0.56 -2.01 118.68 125.81 2x8n s LEU 41 Ca 0.44 1.18 0.23 0.00 -1.03 0.00 0.00 54.13 54.95 2x8n s LEU 41 Cb -0.10 -3.15 1.08 0.00 0.03 0.00 0.00 46.19 44.05 2x8n s LEU 41 CO 0.22 -3.80 1.92 0.00 0.23 0.00 0.00 176.35 174.92 2x8n h ALA 42 N -2.35 1.19 -0.18 4.21 0.00 -1.38 0.69 119.26 121.44 2x8n h ALA 42 Ca -0.56 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2x8n h ALA 42 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x8n h ALA 42 CO 0.51 0.28 0.00 0.27 0.00 0.00 0.00 179.25 180.31 2x8n n ASN 43 N -3.63 1.40 -0.90 0.00 0.23 -1.26 -4.94 115.26 106.16 2x8n n ASN 43 Ca -0.01 -1.76 -0.11 0.00 -0.53 0.00 0.00 54.58 52.17 2x8n n ASN 43 Cb 0.35 -0.12 -0.04 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.18 -4.23 -4.64 0.53 8.00 0.24 -5.00 116.55 111.62 2x8n n ASP 44 Ca 0.14 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.45 2x8n n ASP 44 Cb 0.27 -2.80 -0.02 0.00 -0.02 0.00 0.00 41.12 38.54 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 -3.14 3.99 -0.64 -1.24 3.52 -1.26 -4.66 118.95 115.52 2x8n s ARG 45 Ca 0.00 1.56 -0.24 0.00 -0.13 0.00 0.00 55.73 56.92 2x8n s ARG 45 Cb 0.00 -3.90 0.05 0.00 -1.56 0.00 0.00 34.95 29.54 2x8n s ARG 45 CO 0.00 -1.03 1.03 -1.21 -0.81 0.00 0.00 175.30 173.27 2x8n s GLU 46 N 4.12 3.19 -0.40 5.12 2.02 -1.26 -1.50 118.70 129.99 2x8n s GLU 46 Ca 0.62 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.78 2x8n s GLU 46 Cb -0.22 -4.17 0.02 0.00 0.10 0.00 0.00 34.13 29.87 2x8n s GLU 46 CO 0.23 -1.79 1.08 -0.51 0.02 0.00 0.00 175.26 174.29 2x8n s LEU 47 N 4.38 3.81 -0.45 1.80 1.43 -0.40 -4.88 118.68 124.37 2x8n s LEU 47 Ca 0.27 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.93 2x8n s LEU 47 Cb -0.14 -3.50 0.06 0.00 0.03 0.00 0.00 46.19 42.64 2x8n s LEU 47 CO 0.14 -1.06 0.35 -0.75 0.23 0.00 0.00 176.35 175.26 2x8n s LYS 48 N 4.00 2.92 -0.03 1.70 2.20 -1.26 -0.83 119.74 128.44 2x8n s LYS 48 Ca 0.45 -1.28 -0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2x8n s LYS 48 Cb -0.10 -4.03 0.03 0.00 -1.51 0.00 0.00 37.83 32.23 2x8n s LYS 48 CO 0.24 -0.94 0.05 -0.06 -0.36 0.00 0.00 175.35 174.27 2x8n s PHE 49 N 1.61 0.00 0.69 4.03 0.08 -0.89 -5.01 117.98 118.50 2x8n s PHE 49 Ca 0.04 0.18 -0.14 0.00 0.12 0.00 0.00 56.93 57.13 2x8n s PHE 49 Cb -0.23 -0.22 0.02 0.00 -0.57 0.00 0.00 43.02 42.02 2x8n s PHE 49 CO 0.07 -0.10 1.11 1.03 -0.10 0.00 0.00 175.22 177.23 2x8n s ARG 50 N 1.12 2.60 0.17 0.44 0.52 -1.26 -0.52 118.95 122.02 2x8n s ARG 50 Ca -0.09 1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 56.35 2x8n s ARG 50 Cb -0.13 -1.93 0.12 0.00 0.52 0.00 0.00 34.95 33.54 2x8n s ARG 50 CO -0.03 -1.40 1.70 -1.35 0.02 0.00 0.00 175.30 174.24 2x8n h PRO 51 N -0.26 0.13 -0.00 3.54 0.11 -1.85 -2.47 132.00 131.21 2x8n h PRO 51 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x8n h PRO 51 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2x8n h PRO 51 CO 0.53 0.09 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2x8n n ASP 52 N -5.17 0.00 0.13 -2.05 5.75 -1.24 -1.71 116.55 112.25 2x8n n ASP 52 Ca 0.03 -0.58 0.04 0.00 -0.01 0.00 0.00 54.79 54.27 2x8n n ASP 52 Cb 0.21 -0.14 0.02 0.00 -1.03 0.00 0.00 41.12 40.18 2x8n n ASP 52 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2x8n h ASP 53 N 0.00 0.00 -2.99 -1.12 5.19 -1.78 -3.46 116.42 112.27 2x8n h ASP 53 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 2x8n h ASP 53 Cb 0.14 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.57 2x8n h ASP 53 CO 0.00 0.40 -0.55 -0.76 -3.12 0.00 0.00 179.24 175.22 2x8n s LEU 54 N -6.19 4.06 0.35 1.55 1.43 -0.69 -4.24 118.68 114.95 2x8n s LEU 54 Ca 0.03 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2x8n s LEU 54 Cb 0.08 -2.34 0.66 0.00 0.03 0.00 0.00 46.19 44.62 2x8n s LEU 54 CO 0.75 0.28 1.88 -0.61 0.23 0.00 0.00 176.35 178.89 2x8n h GLN 55 N 4.13 0.40 -0.60 1.70 4.15 -1.81 -2.52 115.11 120.56 2x8n h GLN 55 Ca -0.50 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 58.86 2x8n h GLN 55 Cb 1.19 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2x8n h GLN 55 CO 0.64 0.49 0.36 0.00 -1.93 0.00 0.00 178.83 178.39 2x8n h ALA 56 N 1.55 0.77 0.00 3.38 0.00 -1.87 -3.34 119.26 119.76 2x8n h ALA 56 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2x8n h ALA 56 Cb 0.37 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2x8n h ALA 56 CO 0.02 0.10 -0.50 0.25 0.00 0.00 0.00 179.25 179.12 2x8n n THR 57 N -4.74 1.46 -2.15 0.00 -2.24 -1.17 -4.86 114.28 100.58 2x8n n THR 57 Ca 0.05 -2.23 -0.30 0.00 -2.27 0.00 0.00 64.05 59.30 2x8n n THR 57 Cb 0.08 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.16 2.00 0.00 4.78 5.04 -0.96 -2.02 117.35 124.03 2x8n s TYR 58 Ca 0.32 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 2x8n s TYR 58 Cb 0.32 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.47 2x8n s TYR 58 CO -0.06 -1.61 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 2x8n n GLY 59 N 6.46 1.70 3.84 8.97 0.00 -1.26 -5.02 105.19 119.87 2x8n n GLY 59 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 3.69 0.53 4.61 0.00 -0.86 -5.10 121.76 122.62 2x8n s ALA 60 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 2x8n s ALA 60 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 2x8n s ALA 60 CO 0.00 0.48 1.02 0.95 0.00 0.00 0.00 175.76 178.21 2x8n s THR 61 N -1.11 4.12 0.40 0.00 -4.23 -1.26 -4.98 115.64 108.58 2x8n s THR 61 Ca 0.25 1.10 0.39 0.00 -1.18 0.00 0.00 61.69 62.25 2x8n s THR 61 Cb -0.17 -3.54 0.42 0.00 1.34 0.00 0.00 72.50 70.56 2x8n s THR 61 CO 0.14 -0.50 2.19 1.55 -0.54 0.00 0.00 174.62 177.46 2x8n h PRO 62 N 0.96 0.00 -0.24 3.99 0.13 -1.99 -1.88 132.00 132.97 2x8n h PRO 62 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2x8n h PRO 62 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2x8n h PRO 62 CO 0.59 0.00 -0.20 1.05 -0.23 0.00 0.00 178.00 179.22 2x8n h GLU 63 N 0.00 0.44 0.00 0.86 4.11 -2.02 -2.74 114.58 115.22 2x8n h GLU 63 Ca -0.00 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 2x8n h GLU 63 Cb 0.25 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2x8n h GLU 63 CO 0.00 0.62 -0.06 1.96 0.07 0.00 0.00 179.01 181.60 2x8n h GLN 64 N 0.39 0.00 -0.78 1.06 4.20 -1.72 -3.00 115.11 115.27 2x8n h GLN 64 Ca 0.07 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2x8n h GLN 64 Cb 0.58 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 2x8n h GLN 64 CO 0.04 0.06 0.18 1.28 -0.67 0.00 0.00 178.83 179.72 2x8n n LEU 65 N -3.14 5.21 -0.07 1.46 4.77 -1.03 -3.46 117.00 120.73 2x8n n LEU 65 Ca 0.02 -2.69 -0.14 0.00 -0.03 0.00 0.00 56.01 53.17 2x8n n LEU 65 Cb 0.43 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2x8n n LEU 65 CO 0.31 0.68 -0.98 0.54 -1.33 0.00 0.00 177.39 176.62 2x8n n ARG 66 N 0.06 0.31 -2.53 3.23 1.74 -1.13 -4.17 116.66 114.17 2x8n n ARG 66 Ca 0.31 0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 57.10 2x8n n ARG 66 Cb 1.16 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 31.48 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 -2.27 3.66 -0.02 5.56 2.02 -1.22 -4.92 118.70 121.51 2x8n s GLU 67 Ca -0.20 -1.44 0.03 0.00 0.02 0.00 0.00 54.97 53.39 2x8n s GLU 67 Cb 0.07 -5.41 -0.00 0.00 0.10 0.00 0.00 34.13 28.88 2x8n s GLU 67 CO 0.27 -2.35 -0.12 0.42 0.02 0.00 0.00 175.26 173.50 2x8n s ILE 68 N 5.14 0.99 0.19 -1.63 1.01 -1.26 -1.73 121.20 123.91 2x8n s ILE 68 Ca 0.51 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2x8n s ILE 68 Cb 0.01 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2x8n s ILE 68 CO -0.02 0.29 -0.06 -0.70 0.00 0.00 0.00 174.94 174.46 2x8n s GLU 69 N -0.06 1.23 0.51 2.79 2.12 -0.73 -4.93 118.70 119.62 2x8n s GLU 69 Ca 0.01 -1.58 -0.18 0.00 0.36 0.00 0.00 54.97 53.58 2x8n s GLU 69 Cb -0.07 -0.68 -0.08 0.00 0.26 0.00 0.00 34.13 33.56 2x8n s GLU 69 CO 0.00 0.01 1.01 0.42 -0.54 0.00 0.00 175.26 176.16 2x8n s ILE 70 N -3.33 4.13 0.84 -3.70 -1.09 -1.26 -0.57 121.20 116.22 2x8n s ILE 70 Ca 0.23 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.67 2x8n s ILE 70 Cb 0.04 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2x8n s ILE 70 CO 0.05 -0.45 0.71 -1.54 -1.23 0.00 0.00 174.94 172.48 2x8n n SER 71 N -1.34 -0.80 0.21 3.58 3.41 -0.80 -4.27 113.62 113.62 2x8n n SER 71 Ca 0.08 0.49 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 2x8n n SER 71 Cb 0.53 -1.31 0.74 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.04 0.00 0.00 4.33 0.13 -1.93 -0.35 132.00 133.14 2x8n h PRO 72 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2x8n h PRO 72 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2x8n h PRO 72 CO 0.40 0.00 -1.29 0.77 -0.23 0.00 0.00 178.00 177.66 2x8n h SER 73 N 0.00 0.00 0.00 1.44 0.02 -1.96 -3.48 113.55 109.56 2x8n h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x8n h SER 73 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2x8n h SER 73 CO 0.00 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 2x8n n GLY 74 N 1.41 0.85 0.00 -3.77 0.00 -0.14 -4.86 105.19 98.68 2x8n n GLY 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.28 0.00 0.99 4.77 -1.26 -3.54 117.00 119.23 2x8n n LEU 75 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2x8n n LEU 75 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2x8n n LEU 75 CO 0.00 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 2x8n n GLY 76 N 2.21 0.97 3.38 -0.72 0.00 -1.26 -1.85 105.19 107.92 2x8n n GLY 76 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 1.43 1.17 -0.28 1.61 0.11 -0.42 -1.91 120.40 122.11 2x8n s VAL 77 Ca 0.00 -2.04 -0.01 0.00 -2.93 0.00 0.00 61.98 57.00 2x8n s VAL 77 Cb 0.00 -2.51 0.13 0.00 -1.53 0.00 0.00 36.38 32.47 2x8n s VAL 77 CO 0.00 -0.21 0.28 -0.47 -3.33 0.00 0.00 175.10 171.37 2x8n s TYR 78 N -3.32 -0.39 -0.13 1.54 6.14 0.26 -2.58 117.35 118.87 2x8n s TYR 78 Ca 0.31 -0.17 -0.29 0.00 0.64 0.00 0.00 57.07 57.56 2x8n s TYR 78 Cb 0.06 -0.48 -0.01 0.00 0.42 0.00 0.00 41.96 41.96 2x8n s TYR 78 CO 0.12 -0.88 1.01 -0.06 0.64 0.00 0.00 175.55 176.37 2x8n s PHE 79 N 2.34 3.47 0.01 4.97 0.08 -0.71 -1.77 117.98 126.38 2x8n s PHE 79 Ca 0.09 1.56 -0.21 0.00 0.12 0.00 0.00 56.93 58.49 2x8n s PHE 79 Cb -0.14 -3.20 -0.19 0.00 -0.57 0.00 0.00 43.02 38.92 2x8n s PHE 79 CO -0.31 -0.28 1.21 1.49 -0.10 0.00 0.00 175.22 177.23 2x8n h GLU 80 N 7.18 0.32 0.00 0.44 4.81 -1.62 0.96 114.58 126.66 2x8n h GLU 80 Ca -0.28 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2x8n h GLU 80 Cb 1.13 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2x8n h GLU 80 CO 0.88 0.86 -0.04 1.15 -0.73 0.00 0.00 179.01 181.14 2x8n h THR 81 N -0.17 0.32 0.00 0.32 2.02 -1.82 -2.00 112.91 111.59 2x8n h THR 81 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2x8n h THR 81 Cb 0.89 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2x8n h THR 81 CO 0.06 0.04 -0.48 0.00 0.37 0.00 0.00 175.52 175.51 2x8n n LEU 82 N -3.46 0.17 -2.15 2.58 -0.00 -1.23 -5.01 117.00 107.89 2x8n n LEU 82 Ca -0.02 -0.37 -0.17 0.00 -0.00 0.00 0.00 56.01 55.44 2x8n n LEU 82 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 2x8n n LEU 82 CO 0.26 0.04 -0.20 -0.62 -0.00 0.00 0.00 177.39 176.87 2x8n n GLU 83 N -1.25 -1.76 -5.16 1.47 1.02 0.29 -4.97 120.64 110.27 2x8n n GLU 83 Ca 0.00 0.89 -0.32 0.00 -0.02 0.00 0.00 57.16 57.71 2x8n n GLU 83 Cb 0.09 -5.43 -0.16 0.00 -0.02 0.00 0.00 31.44 25.92 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 -4.57 2.71 0.25 3.49 2.56 -0.93 -4.89 118.70 117.32 2x8n s GLU 84 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 54.97 54.17 2x8n s GLU 84 Cb 0.00 -2.26 -0.03 0.00 2.00 0.00 0.00 34.13 33.84 2x8n s GLU 84 CO 0.00 0.36 0.34 0.16 -0.56 0.00 0.00 175.26 175.56 2x8n s ASP 85 N -0.09 6.17 -0.23 -1.70 -4.77 -1.26 -1.73 116.67 113.06 2x8n s ASP 85 Ca -0.05 0.00 0.02 0.00 -3.30 0.00 0.00 52.55 49.22 2x8n s ASP 85 Cb -0.14 -1.75 0.05 0.00 -1.09 0.00 0.00 42.92 39.99 2x8n s ASP 85 CO 0.04 -0.09 -0.10 -0.69 0.70 0.00 0.00 175.17 175.03 2x8n s VAL 86 N -2.02 1.90 -0.08 2.11 1.01 -1.06 -4.01 120.40 118.25 2x8n s VAL 86 Ca 0.35 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2x8n s VAL 86 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2x8n s VAL 86 CO 0.29 0.05 1.51 -0.44 0.00 0.00 0.00 175.10 176.50 2x8n s SER 87 N 1.25 6.77 0.11 3.32 0.01 -1.26 -1.30 113.70 122.59 2x8n s SER 87 Ca -0.05 2.07 -0.20 0.00 1.31 0.00 0.00 55.95 59.07 2x8n s SER 87 Cb -0.18 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 2x8n s SER 87 CO -0.07 -0.85 1.70 0.25 0.41 0.00 0.00 173.24 174.68 2x8n h LEU 88 N 9.83 0.24 -1.20 2.44 5.85 -1.89 -2.61 115.31 127.97 2x8n h LEU 88 Ca -0.35 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2x8n h LEU 88 Cb 1.16 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2x8n h LEU 88 CO 0.95 0.26 0.36 0.40 -0.34 0.00 0.00 178.44 180.07 2x8n h ILE 89 N 0.21 1.20 -0.90 4.05 1.08 -1.92 -0.96 117.51 120.26 2x8n h ILE 89 Ca 0.07 -0.50 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 2x8n h ILE 89 Cb 0.07 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.08 2x8n h ILE 89 CO -0.01 0.22 0.59 1.23 -0.69 0.00 0.00 178.15 179.49 2x8n h GLY 90 N 0.97 1.31 1.20 5.37 0.00 -1.75 0.58 103.07 110.75 2x8n h GLY 90 Ca 0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2x8n h GLY 90 CO -0.04 0.39 0.16 1.41 0.00 0.00 0.00 176.54 178.45 2x8n h LEU 91 N 1.14 0.93 -0.92 3.11 3.38 -0.84 0.35 115.31 122.47 2x8n h LEU 91 Ca 0.36 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2x8n h LEU 91 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2x8n h LEU 91 CO -0.12 0.90 -0.51 -0.07 0.09 0.00 0.00 178.44 178.74 2x8n h LEU 92 N 0.95 0.00 -0.34 1.67 3.38 -0.72 -2.22 115.31 118.03 2x8n h LEU 92 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2x8n h LEU 92 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2x8n h LEU 92 CO -0.00 0.51 -0.30 -0.33 0.09 0.00 0.00 178.44 178.40 2x8n h GLU 93 N 0.00 0.00 0.00 1.13 4.39 -0.40 -3.48 114.58 116.22 2x8n h GLU 93 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2x8n h GLU 93 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2x8n h GLU 93 CO 0.07 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 2x8n n GLY 94 N 0.88 0.41 3.55 -3.84 0.00 0.06 -5.03 105.19 101.22 2x8n n GLY 94 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.88 3.70 0.38 1.61 3.52 0.10 -4.84 118.95 122.53 2x8n s ARG 95 Ca 0.00 -1.43 0.14 0.00 -0.13 0.00 0.00 55.73 54.31 2x8n s ARG 95 Cb 0.00 -5.35 0.74 0.00 -1.56 0.00 0.00 34.95 28.78 2x8n s ARG 95 CO 0.00 -2.17 1.82 0.00 -0.81 0.00 0.00 175.30 174.14 2x8n h ARG 96 N 9.12 0.00 -4.32 5.12 3.08 -1.84 -3.32 114.38 122.21 2x8n h ARG 96 Ca 0.26 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 2x8n h ARG 96 Cb 0.97 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.87 2x8n h ARG 96 CO 1.40 0.37 -0.66 0.20 -1.07 0.00 0.00 179.97 180.21 2x8n s GLY 97 N -4.31 0.70 0.26 0.04 0.00 -1.26 -3.28 107.32 99.47 2x8n s GLY 97 Ca -0.03 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.09 2x8n s GLY 97 CO 0.72 -1.34 0.94 -1.26 0.00 0.00 0.00 173.10 172.16 2x8n n SER 98 N 0.02 0.87 -0.26 1.64 2.88 -1.26 -4.57 113.62 112.94 2x8n n SER 98 Ca -0.10 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 58.78 2x8n n SER 98 Cb 0.62 -1.22 0.47 0.00 -0.75 0.00 0.00 64.21 63.32 2x8n n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x8n h ALA 99 N 1.95 2.07 0.52 -1.46 0.00 -1.97 0.70 119.26 121.06 2x8n h ALA 99 Ca -0.38 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2x8n h ALA 99 Cb 1.36 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2x8n h ALA 99 CO 0.61 -0.36 -0.25 -0.22 0.00 0.00 0.00 179.25 179.03 2x8n h LYS 100 N 0.50 -0.67 -0.90 0.00 3.64 -2.00 -2.12 116.57 115.01 2x8n h LYS 100 Ca 0.47 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 60.03 2x8n h LYS 100 Cb 1.04 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 2x8n h LYS 100 CO -0.20 -0.39 0.58 2.35 -2.27 0.00 0.00 179.45 179.52 2x8n h TRP 101 N -0.85 0.89 0.00 1.91 7.01 -1.40 -0.59 115.95 122.92 2x8n h TRP 101 Ca -0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2x8n h TRP 101 Cb 0.60 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2x8n h TRP 101 CO -0.01 0.35 -0.08 0.52 -2.79 0.00 0.00 178.44 176.42 2x8n h MET 102 N 0.77 0.00 0.19 2.65 2.86 -0.85 0.26 114.93 120.80 2x8n h MET 102 Ca 0.45 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.75 2x8n h MET 102 Cb 0.63 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.30 2x8n h MET 102 CO -0.21 0.08 -1.67 0.00 1.06 0.00 0.00 176.91 176.18 2x8n h ALA 103 N 1.92 0.12 0.00 6.32 0.00 -0.46 -3.16 119.26 124.00 2x8n h ALA 103 Ca -0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 54.91 53.69 2x8n h ALA 103 Cb 0.70 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2x8n h ALA 103 CO 0.01 0.99 -0.62 0.93 0.00 0.00 0.00 179.25 180.56 2x8n h GLU 104 N 0.11 0.00 -2.08 0.00 5.08 -0.98 -3.37 114.58 113.33 2x8n h GLU 104 Ca -0.31 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.48 2x8n h GLU 104 Cb 2.10 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.96 2x8n h GLU 104 CO 0.19 0.62 -1.05 0.72 -1.00 0.00 0.00 179.01 178.49 2x8n n HIS 105 N -3.31 -0.16 -1.99 4.33 8.25 0.88 -5.08 115.22 118.15 2x8n n HIS 105 Ca 0.01 -3.57 -0.31 0.00 -0.26 0.00 0.00 57.72 53.59 2x8n n HIS 105 Cb 0.76 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2x8n n HIS 105 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x8n s PRO 106 N -1.07 3.67 0.47 -0.41 0.04 -1.19 -4.51 135.00 132.00 2x8n s PRO 106 Ca 0.35 0.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 2x8n s PRO 106 Cb 0.15 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2x8n s PRO 106 CO -0.12 -0.50 0.70 -0.51 0.04 0.00 0.00 177.00 176.61 2x8n s LEU 107 N -4.94 3.57 0.40 -3.56 1.02 -1.26 -5.00 118.68 108.91 2x8n s LEU 107 Ca 0.56 0.29 0.16 0.00 0.02 0.00 0.00 54.13 55.16 2x8n s LEU 107 Cb -0.11 -3.17 0.84 0.00 0.02 0.00 0.00 46.19 43.78 2x8n s LEU 107 CO 0.49 -0.78 1.86 0.00 0.02 0.00 0.00 176.35 177.94 2x8n h ALA 108 N 0.31 1.31 0.00 4.21 0.00 -2.00 -3.55 119.26 119.54 2x8n h ALA 108 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2x8n h ALA 108 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2x8n h ALA 108 CO 0.57 0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.68