#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu5 s GLU 2 N 0.00 4.44 0.00 0.03 2.12 -1.26 -3.76 118.70 120.26 2cu5 s GLU 2 Ca 0.00 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2cu5 s GLU 2 Cb 0.00 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2cu5 s GLU 2 CO 0.00 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2cu5 n GLY 3 N 3.13 0.70 2.87 -1.50 0.00 -1.26 -4.98 105.19 104.16 2cu5 n GLY 3 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2cu5 n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cu5 s VAL 4 N -3.05 0.63 0.02 1.61 1.01 -1.25 -4.57 120.40 114.80 2cu5 s VAL 4 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2cu5 s VAL 4 Cb 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 2cu5 s VAL 4 CO 0.00 0.27 0.60 -0.69 0.00 0.00 0.00 175.10 175.29 2cu5 s VAL 5 N 1.38 4.85 -0.37 2.92 1.01 -0.35 -4.32 120.40 125.52 2cu5 s VAL 5 Ca -0.03 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2cu5 s VAL 5 Cb -0.13 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2cu5 s VAL 5 CO -0.03 0.44 0.16 -0.60 0.00 0.00 0.00 175.10 175.08 2cu5 s ARG 6 N -0.39 2.63 0.13 2.72 3.52 -1.26 -0.67 118.95 125.64 2cu5 s ARG 6 Ca 0.31 -1.25 -0.09 0.00 -0.13 0.00 0.00 55.73 54.57 2cu5 s ARG 6 Cb -0.19 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.56 2cu5 s ARG 6 CO 0.18 -0.75 0.44 -0.51 -0.81 0.00 0.00 175.30 173.85 2cu5 s LEU 7 N 1.43 4.29 -0.17 -0.88 1.43 -0.03 -4.94 118.68 119.80 2cu5 s LEU 7 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2cu5 s LEU 7 Cb -0.20 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.81 2cu5 s LEU 7 CO 0.03 0.09 -0.15 -1.61 0.23 0.00 0.00 176.35 174.94 2cu5 s GLU 8 N -2.29 2.41 -0.21 1.70 2.02 -1.26 -1.09 118.70 119.97 2cu5 s GLU 8 Ca 0.38 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 2cu5 s GLU 8 Cb -0.13 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.78 2cu5 s GLU 8 CO 0.20 -0.29 -0.10 0.08 0.02 0.00 0.00 175.26 175.17 2cu5 s VAL 9 N 1.40 2.81 0.29 2.63 1.01 0.14 -4.91 120.40 123.77 2cu5 s VAL 9 Ca 0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2cu5 s VAL 9 Cb -0.14 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.86 2cu5 s VAL 9 CO -0.10 0.42 1.22 -2.84 0.00 0.00 0.00 175.10 173.80 2cu5 s PRO 10 N 1.38 4.48 0.09 2.72 0.02 -1.26 -0.88 135.00 141.55 2cu5 s PRO 10 Ca 0.04 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.13 2cu5 s PRO 10 Cb -0.14 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2cu5 s PRO 10 CO -0.07 -0.03 -0.13 0.95 -0.33 0.00 0.00 177.00 177.38 2cu5 s THR 11 N -0.94 1.15 0.49 0.99 -4.23 0.68 -4.93 115.64 108.84 2cu5 s THR 11 Ca 0.48 -1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 2cu5 s THR 11 Cb -0.36 -1.28 0.11 0.00 1.34 0.00 0.00 72.50 72.31 2cu5 s THR 11 CO 0.46 -0.36 0.67 -0.81 -0.54 0.00 0.00 174.62 174.04 2cu5 n PRO 12 N 0.89 -0.43 -0.24 3.99 -0.04 -1.26 -2.40 135.00 135.51 2cu5 n PRO 12 Ca -0.18 -1.23 0.02 0.00 -0.04 0.00 0.00 63.50 62.07 2cu5 n PRO 12 Cb 0.56 -0.63 0.14 0.00 -0.04 0.00 0.00 33.50 33.53 2cu5 n PRO 12 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2cu5 h GLU 13 N 0.00 0.53 -2.01 0.54 4.81 -1.93 -3.27 114.58 113.25 2cu5 h GLU 13 Ca -0.22 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2cu5 h GLU 13 Cb 0.65 -0.12 -0.21 0.00 0.63 0.00 0.00 28.75 29.70 2cu5 h GLU 13 CO 0.17 0.35 0.13 -1.83 -0.73 0.00 0.00 179.01 177.10 2cu5 s GLU 14 N -6.06 0.86 0.00 1.92 -1.05 -1.26 0.01 118.70 113.12 2cu5 s GLU 14 Ca -0.13 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2cu5 s GLU 14 Cb 0.18 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 2cu5 s GLU 14 CO 0.76 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 177.26 2cu5 n GLY 15 N 2.53 1.44 3.49 -3.83 0.00 -0.44 -4.99 105.19 103.39 2cu5 n GLY 15 Ca -0.14 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 2cu5 n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cu5 s PHE 16 N -1.98 3.22 -0.26 1.61 0.08 -1.26 -0.74 117.98 118.65 2cu5 s PHE 16 Ca 0.00 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 2cu5 s PHE 16 Cb 0.00 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 2cu5 s PHE 16 CO 0.00 -0.42 0.28 0.08 -0.10 0.00 0.00 175.22 175.05 2cu5 s VAL 17 N 1.68 5.26 -0.41 -0.44 1.01 -0.39 -4.89 120.40 122.23 2cu5 s VAL 17 Ca 0.05 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 2cu5 s VAL 17 Cb -0.18 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2cu5 s VAL 17 CO 0.09 0.24 1.44 0.21 0.00 0.00 0.00 175.10 177.08 2cu5 s ASN 18 N 1.47 6.30 -0.10 3.32 3.84 -1.26 -0.36 114.94 128.15 2cu5 s ASN 18 Ca 0.12 0.85 0.14 0.00 0.21 0.00 0.00 52.86 54.18 2cu5 s ASN 18 Cb -0.15 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.42 2cu5 s ASN 18 CO 0.09 -1.46 1.33 2.30 -2.79 0.00 0.00 177.10 176.57 2cu5 n ILE 19 N 7.11 1.70 0.03 -5.21 -5.35 -0.10 -4.73 119.36 112.82 2cu5 n ILE 19 Ca 0.17 -1.51 -0.11 0.00 -0.27 0.00 0.00 62.75 61.03 2cu5 n ILE 19 Cb 0.48 0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.42 2cu5 n ILE 19 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2cu5 h THR 20 N 1.73 0.39 -0.50 7.28 2.02 -1.88 -0.69 112.91 121.25 2cu5 h THR 20 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 2cu5 h THR 20 Cb 1.10 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2cu5 h THR 20 CO 0.12 0.00 -0.08 -0.09 0.37 0.00 0.00 175.52 175.84 2cu5 h ARG 21 N -0.38 0.90 -0.23 6.66 9.65 -1.93 -1.58 114.38 127.47 2cu5 h ARG 21 Ca 0.08 -0.30 -0.08 0.00 -1.10 0.00 0.00 59.98 58.58 2cu5 h ARG 21 Cb 0.49 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2cu5 h ARG 21 CO -0.27 0.94 -0.20 0.87 2.80 0.00 0.00 179.97 184.11 2cu5 h LYS 22 N 0.82 0.42 -0.16 0.20 1.57 -1.82 -0.08 116.57 117.51 2cu5 h LYS 22 Ca 0.14 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2cu5 h LYS 22 Cb 0.59 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2cu5 h LYS 22 CO 0.04 0.60 -0.14 0.28 -0.57 0.00 0.00 179.45 179.65 2cu5 h VAL 23 N 0.38 1.34 -0.68 0.50 2.07 -0.90 -3.08 116.25 115.87 2cu5 h VAL 23 Ca 0.06 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2cu5 h VAL 23 Cb 0.56 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2cu5 h VAL 23 CO 0.04 0.38 0.45 -0.33 0.02 0.00 0.00 177.57 178.13 2cu5 h GLU 24 N 0.03 0.86 0.00 1.57 5.08 -0.97 -0.61 114.58 120.54 2cu5 h GLU 24 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2cu5 h GLU 24 Cb 0.67 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2cu5 h GLU 24 CO 0.04 0.57 -0.04 0.00 -1.00 0.00 0.00 179.01 178.58 2cu5 h ALA 25 N 1.58 1.08 -0.01 3.43 0.00 -0.95 -1.67 119.26 122.73 2cu5 h ALA 25 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cu5 h ALA 25 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2cu5 h ALA 25 CO -0.06 0.05 -0.30 0.00 0.00 0.00 0.00 179.25 178.93 2cu5 n ALA 26 N -2.14 3.17 0.32 0.00 0.00 -0.25 -4.18 120.51 117.43 2cu5 n ALA 26 Ca -0.01 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.15 2cu5 n ALA 26 Cb 0.21 -1.12 0.24 0.00 0.00 0.00 0.00 19.45 18.79 2cu5 n ALA 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cu5 h LEU 27 N 1.08 0.00 -1.76 0.00 3.38 -1.17 -3.48 115.31 113.36 2cu5 h LEU 27 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2cu5 h LEU 27 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 2cu5 h LEU 27 CO 0.00 0.00 -0.87 -1.20 0.09 0.00 0.00 178.44 176.46 2cu5 n SER 28 N -2.89 -0.96 -0.71 -0.43 7.64 -1.26 -1.02 113.62 113.99 2cu5 n SER 28 Ca 0.04 -0.98 -0.09 0.00 1.01 0.00 0.00 58.87 58.85 2cu5 n SER 28 Cb 0.50 -3.17 -0.04 0.00 -1.01 0.00 0.00 64.21 60.48 2cu5 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cu5 n GLY 29 N -1.86 1.02 3.74 0.23 0.00 -1.26 -4.86 105.19 102.19 2cu5 n GLY 29 Ca -0.25 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2cu5 n GLY 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2cu5 s HIS 30 N -2.10 2.18 -0.16 1.61 5.65 -0.19 -2.89 115.29 119.39 2cu5 s HIS 30 Ca 0.00 1.40 0.00 0.00 0.25 0.00 0.00 55.06 56.71 2cu5 s HIS 30 Cb 0.00 -3.79 0.03 0.00 -1.18 0.00 0.00 32.58 27.64 2cu5 s HIS 30 CO 0.00 -2.99 -0.12 0.99 -0.65 0.00 0.00 174.74 171.97 2cu5 s THR 31 N -1.32 1.49 -5.00 0.89 2.01 -1.26 -0.50 115.64 111.95 2cu5 s THR 31 Ca 0.76 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2cu5 s THR 31 Cb -0.40 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.65 2cu5 s THR 31 CO 0.46 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 2cu5 n GLY 32 N 4.78 0.59 3.78 4.40 0.00 -0.08 -4.96 105.19 113.70 2cu5 n GLY 32 Ca -0.16 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 2cu5 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cu5 s LEU 33 N 0.00 3.70 -0.07 0.99 1.43 -1.26 -0.98 118.68 122.49 2cu5 s LEU 33 Ca 0.00 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2cu5 s LEU 33 Cb 0.00 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.67 2cu5 s LEU 33 CO 0.00 -1.19 -0.12 -0.69 0.23 0.00 0.00 176.35 174.59 2cu5 s VAL 34 N -1.94 1.11 -0.15 -1.59 1.01 0.29 -1.63 120.40 117.50 2cu5 s VAL 34 Ca 0.70 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 2cu5 s VAL 34 Cb -0.21 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2cu5 s VAL 34 CO 0.28 0.35 0.11 -0.47 0.00 0.00 0.00 175.10 175.38 2cu5 s TYR 35 N 0.75 3.44 -0.01 5.22 5.04 0.17 -0.85 117.35 131.11 2cu5 s TYR 35 Ca -0.13 0.36 0.05 0.00 -2.44 0.00 0.00 57.07 54.91 2cu5 s TYR 35 Cb -0.15 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.12 2cu5 s TYR 35 CO 0.03 0.47 -0.17 -0.51 -1.34 0.00 0.00 175.55 174.02 2cu5 s LEU 36 N -0.32 2.04 -0.13 6.97 1.43 -0.34 -0.88 118.68 127.46 2cu5 s LEU 36 Ca 0.11 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2cu5 s LEU 36 Cb -0.12 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.25 2cu5 s LEU 36 CO 0.01 0.21 0.34 0.12 0.23 0.00 0.00 176.35 177.26 2cu5 s PHE 37 N -0.42 -0.38 -0.22 0.29 5.36 -0.78 -1.27 117.98 120.55 2cu5 s PHE 37 Ca 0.07 0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 56.92 2cu5 s PHE 37 Cb -0.07 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.73 2cu5 s PHE 37 CO -0.01 -0.18 -0.03 0.14 -1.46 0.00 0.00 175.22 173.68 2cu5 s VAL 38 N 0.21 3.49 -0.14 3.12 -7.23 -0.70 -0.41 120.40 118.74 2cu5 s VAL 38 Ca -0.00 -0.45 -0.06 0.00 -1.81 0.00 0.00 61.98 59.66 2cu5 s VAL 38 Cb -0.03 -2.59 -0.18 0.00 0.56 0.00 0.00 36.38 34.14 2cu5 s VAL 38 CO 0.00 0.42 3.40 -0.81 -0.31 0.00 0.00 175.10 177.80 2cu5 n PRO 39 N 4.77 2.14 -4.24 4.82 -0.04 -1.26 -4.84 135.00 136.35 2cu5 n PRO 39 Ca -0.18 -1.36 -0.13 0.00 -0.04 0.00 0.00 63.50 61.79 2cu5 n PRO 39 Cb 0.51 -2.05 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 2cu5 n PRO 39 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2cu5 s HIS 40 N 0.35 1.19 -0.47 0.54 3.76 -1.26 -5.03 115.29 114.37 2cu5 s HIS 40 Ca 0.65 -0.95 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 2cu5 s HIS 40 Cb 0.33 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.38 2cu5 s HIS 40 CO -0.06 -0.13 0.60 0.25 -0.85 0.00 0.00 174.74 174.55 2cu5 n THR 41 N -0.21 0.00 -1.51 1.30 -2.24 -1.26 -4.67 114.28 105.69 2cu5 n THR 41 Ca -0.08 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.27 2cu5 n THR 41 Cb 0.62 1.08 0.14 0.00 -2.10 0.00 0.00 70.33 70.06 2cu5 n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cu5 n THR 42 N 0.15 1.58 -3.95 4.28 -2.24 -1.26 -4.14 114.28 108.71 2cu5 n THR 42 Ca 0.02 -2.21 -0.09 0.00 -2.27 0.00 0.00 64.05 59.50 2cu5 n THR 42 Cb 0.09 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 2cu5 n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cu5 n GLY 44 N -0.36 2.40 3.14 0.00 0.00 0.71 -4.68 105.19 106.40 2cu5 n GLY 44 Ca -0.04 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 2cu5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cu5 s LEU 45 N 0.00 1.94 0.10 0.99 1.43 -0.44 0.50 118.68 123.19 2cu5 s LEU 45 Ca 0.30 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 2cu5 s LEU 45 Cb -0.00 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.26 2cu5 s LEU 45 CO 0.21 0.16 0.33 0.28 0.23 0.00 0.00 176.35 177.57 2cu5 s THR 46 N -0.02 0.09 -0.24 5.49 -1.32 -0.77 -4.51 115.64 114.36 2cu5 s THR 46 Ca -0.03 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 59.68 2cu5 s THR 46 Cb -0.11 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.71 2cu5 s THR 46 CO 0.02 -0.41 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.29 2cu5 s VAL 47 N -3.61 3.20 0.09 5.08 1.01 -1.26 -0.73 120.40 124.19 2cu5 s VAL 47 Ca 0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2cu5 s VAL 47 Cb 0.02 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2cu5 s VAL 47 CO -0.10 0.29 0.13 0.00 0.00 0.00 0.00 175.10 175.41 2cu5 n GLN 48 N 4.75 0.18 -3.22 2.72 1.13 -0.77 -4.91 117.38 117.26 2cu5 n GLN 48 Ca -0.17 -0.73 -0.39 0.00 -1.94 0.00 0.00 57.00 53.78 2cu5 n GLN 48 Cb 0.49 0.70 -0.06 0.00 0.11 0.00 0.00 30.24 31.48 2cu5 n GLN 48 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2cu5 s GLU 49 N -2.21 4.34 -0.02 -1.09 2.12 -1.23 -0.60 118.70 120.01 2cu5 s GLU 49 Ca 0.08 0.65 0.07 0.00 0.36 0.00 0.00 54.97 56.12 2cu5 s GLU 49 Cb -0.00 -3.40 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 2cu5 s GLU 49 CO 0.05 0.22 0.13 0.41 -0.54 0.00 0.00 175.26 175.54 2cu5 n GLY 50 N 2.90 -0.31 0.27 -1.50 0.00 -1.26 -4.45 105.19 100.84 2cu5 n GLY 50 Ca -0.06 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.87 2cu5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cu5 h ALA 51 N 0.57 0.96 -2.81 4.61 0.00 -1.92 -3.31 119.26 117.36 2cu5 h ALA 51 Ca -0.03 0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.37 2cu5 h ALA 51 Cb 0.47 0.25 -0.23 0.00 0.00 0.00 0.00 17.79 18.28 2cu5 h ALA 51 CO 0.00 -0.36 -0.52 0.34 0.00 0.00 0.00 179.25 178.71 2cu5 s ASP 52 N -5.23 5.71 0.56 0.00 -1.08 -1.26 -4.97 116.67 110.40 2cu5 s ASP 52 Ca -0.13 -0.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.42 2cu5 s ASP 52 Cb 0.22 -2.03 1.49 0.00 -1.46 0.00 0.00 42.92 41.13 2cu5 s ASP 52 CO 0.76 -0.30 2.04 -0.65 0.52 0.00 0.00 175.17 177.54 2cu5 h PRO 53 N 8.42 0.00 0.00 4.34 0.11 -1.91 -2.17 132.00 140.79 2cu5 h PRO 53 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 2cu5 h PRO 53 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2cu5 h PRO 53 CO 0.65 0.00 -0.12 1.79 -0.21 0.00 0.00 178.00 180.10 2cu5 h THR 54 N 0.00 0.37 -0.05 -1.15 1.35 -1.93 -2.74 112.91 108.76 2cu5 h THR 54 Ca 0.16 -0.74 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2cu5 h THR 54 Cb 0.74 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2cu5 h THR 54 CO -0.00 0.12 0.03 0.58 -0.25 0.00 0.00 175.52 176.00 2cu5 h VAL 55 N 0.00 1.08 -0.77 6.82 2.07 -1.70 0.95 116.25 124.71 2cu5 h VAL 55 Ca -0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2cu5 h VAL 55 Cb 0.54 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2cu5 h VAL 55 CO 0.02 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.94 2cu5 h ALA 56 N 0.93 1.01 -0.13 1.67 0.00 -1.69 -1.15 119.26 119.90 2cu5 h ALA 56 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2cu5 h ALA 56 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2cu5 h ALA 56 CO -0.00 0.67 0.01 1.96 0.00 0.00 0.00 179.25 181.89 2cu5 h GLN 57 N 1.14 0.05 -0.36 0.00 4.20 -1.17 -1.67 115.11 117.30 2cu5 h GLN 57 Ca 0.25 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 2cu5 h GLN 57 Cb 0.28 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2cu5 h GLN 57 CO -0.01 0.04 -0.15 -0.44 -0.67 0.00 0.00 178.83 177.59 2cu5 h ASP 58 N 0.06 0.65 -0.20 1.46 3.32 -0.60 -1.41 116.42 119.69 2cu5 h ASP 58 Ca 0.06 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2cu5 h ASP 58 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2cu5 h ASP 58 CO -0.09 0.82 0.12 -0.07 -1.72 0.00 0.00 179.24 178.30 2cu5 h LEU 59 N 0.59 0.24 -0.65 1.55 3.38 -0.86 0.57 115.31 120.14 2cu5 h LEU 59 Ca 0.10 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2cu5 h LEU 59 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2cu5 h LEU 59 CO 0.04 0.23 0.02 -0.07 0.09 0.00 0.00 178.44 178.74 2cu5 h LEU 60 N 0.24 1.05 -0.40 1.67 3.38 -1.21 0.30 115.31 120.33 2cu5 h LEU 60 Ca 0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2cu5 h LEU 60 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2cu5 h LEU 60 CO -0.01 1.08 0.15 1.23 0.09 0.00 0.00 178.44 180.98 2cu5 h GLY 61 N 1.00 0.65 1.37 0.83 0.00 -1.02 -1.79 103.07 104.11 2cu5 h GLY 61 Ca 0.18 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 2cu5 h GLY 61 CO 0.03 0.34 -0.43 3.21 0.00 0.00 0.00 176.54 179.68 2cu5 h ARG 62 N 0.50 0.69 -0.06 4.80 3.08 -0.76 -2.88 114.38 119.75 2cu5 h ARG 62 Ca 0.13 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2cu5 h ARG 62 Cb 0.20 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2cu5 h ARG 62 CO -0.01 0.99 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.61 2cu5 h LEU 63 N 0.56 0.10 -0.93 3.04 3.38 -0.80 -1.65 115.31 119.01 2cu5 h LEU 63 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2cu5 h LEU 63 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2cu5 h LEU 63 CO 0.09 0.31 -0.43 0.00 0.09 0.00 0.00 178.44 178.50 2cu5 h ALA 64 N 1.70 1.10 -0.06 1.53 0.00 -1.12 0.29 119.26 122.70 2cu5 h ALA 64 Ca 0.02 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2cu5 h ALA 64 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2cu5 h ALA 64 CO 0.03 0.60 -0.73 0.93 0.00 0.00 0.00 179.25 180.07 2cu5 h GLU 65 N 0.18 0.34 0.04 0.00 5.08 -1.19 -1.47 114.58 117.56 2cu5 h GLU 65 Ca 0.01 -0.28 -0.22 0.00 -1.00 0.00 0.00 59.36 57.87 2cu5 h GLU 65 Cb 0.84 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2cu5 h GLU 65 CO 0.07 0.93 -1.01 -0.07 -1.00 0.00 0.00 179.01 177.93 2cu5 h LEU 66 N 0.23 0.27 -6.39 1.33 3.38 -1.01 -3.38 115.31 109.74 2cu5 h LEU 66 Ca -0.03 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 57.10 2cu5 h LEU 66 Cb 1.31 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.57 2cu5 h LEU 66 CO 0.12 1.12 -0.83 0.00 0.09 0.00 0.00 178.44 178.94 2cu5 n ALA 67 N -2.46 3.16 -1.76 1.53 0.00 0.98 -5.10 120.51 116.86 2cu5 n ALA 67 Ca -0.04 -3.91 -0.38 0.00 0.00 0.00 0.00 53.44 49.11 2cu5 n ALA 67 Cb 0.90 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 19.49 2cu5 n ALA 67 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2cu5 s PRO 68 N -1.24 3.55 0.12 0.00 0.04 -0.56 -4.58 135.00 132.33 2cu5 s PRO 68 Ca 0.33 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 2cu5 s PRO 68 Cb 0.08 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2cu5 s PRO 68 CO -0.12 -0.78 1.58 0.00 0.04 0.00 0.00 177.00 177.72 2cu5 h ARG 69 N 1.87 0.62 -6.42 4.56 3.08 -1.95 -3.41 114.38 112.73 2cu5 h ARG 69 Ca -0.50 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 58.79 2cu5 h ARG 69 Cb 1.27 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 2cu5 h ARG 69 CO 0.59 0.70 0.76 -1.58 -1.07 0.00 0.00 179.97 179.38 2cu5 s HIS 70 N -5.10 2.91 -0.28 3.04 2.46 -1.26 -4.78 115.29 112.27 2cu5 s HIS 70 Ca -0.13 0.64 -0.00 0.00 0.47 0.00 0.00 55.06 56.03 2cu5 s HIS 70 Cb 0.09 -4.13 0.14 0.00 -0.13 0.00 0.00 32.58 28.55 2cu5 s HIS 70 CO 0.77 -1.13 0.32 0.50 -2.47 0.00 0.00 174.74 172.74 2cu5 s ARG 71 N 4.04 0.33 0.49 2.88 3.52 -1.26 -5.03 118.95 123.93 2cu5 s ARG 71 Ca 0.43 -0.01 0.20 0.00 -0.13 0.00 0.00 55.73 56.22 2cu5 s ARG 71 Cb -0.09 -0.61 1.25 0.00 -1.56 0.00 0.00 34.95 33.94 2cu5 s ARG 71 CO 0.27 -0.97 2.00 -1.00 -0.81 0.00 0.00 175.30 174.79 2cu5 h PRO 72 N 8.24 0.14 0.00 5.12 0.13 -1.99 -1.02 132.00 142.62 2cu5 h PRO 72 Ca -0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2cu5 h PRO 72 Cb 1.10 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2cu5 h PRO 72 CO 0.31 0.10 0.00 1.04 -0.23 0.00 0.00 178.00 179.22 2cu5 n GLN 73 N -4.43 0.23 -1.67 0.86 6.02 -1.26 -4.83 117.38 112.30 2cu5 n GLN 73 Ca 0.08 0.37 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 2cu5 n GLN 73 Cb 0.47 -1.87 -0.00 0.00 1.02 0.00 0.00 30.24 29.86 2cu5 n GLN 73 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2cu5 n ASP 74 N -2.29 2.24 -0.01 1.08 8.00 -0.39 -4.90 116.55 120.29 2cu5 n ASP 74 Ca 0.03 1.15 0.08 0.00 0.71 0.00 0.00 54.79 56.76 2cu5 n ASP 74 Cb 0.29 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 39.83 2cu5 n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2cu5 n ARG 75 N 0.38 0.69 -2.52 -1.24 5.12 -1.26 -4.83 116.66 113.00 2cu5 n ARG 75 Ca 0.07 -0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 2cu5 n ARG 75 Cb 0.37 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 2cu5 n ARG 75 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2cu5 s HIS 76 N -3.04 2.35 0.29 -1.55 2.46 -1.26 -4.88 115.29 109.67 2cu5 s HIS 76 Ca -0.04 -0.35 0.04 0.00 0.47 0.00 0.00 55.06 55.17 2cu5 s HIS 76 Cb 0.11 -4.62 0.70 0.00 -0.13 0.00 0.00 32.58 28.64 2cu5 s HIS 76 CO 0.68 -2.01 1.73 -0.07 -2.47 0.00 0.00 174.74 172.59 2cu5 h LEU 77 N 13.22 0.47 -1.41 8.88 3.38 -2.02 -1.90 115.31 135.93 2cu5 h LEU 77 Ca -0.05 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2cu5 h LEU 77 Cb 1.03 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2cu5 h LEU 77 CO 1.34 0.10 0.64 -0.33 0.09 0.00 0.00 178.44 180.28 2cu5 h GLU 78 N 0.52 0.00 -0.03 1.13 3.07 -2.01 -3.45 114.58 113.81 2cu5 h GLU 78 Ca 0.55 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.39 2cu5 h GLU 78 Cb 0.96 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 2cu5 h GLU 78 CO -0.46 0.00 -0.01 0.41 -1.40 0.00 0.00 179.01 177.54 2cu5 n GLY 79 N -1.42 0.48 0.92 -3.84 0.00 -0.71 -4.94 105.19 95.68 2cu5 n GLY 79 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.71 2cu5 n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cu5 n ASN 80 N 0.70 3.91 -0.06 1.61 0.23 -1.26 -4.63 115.26 115.76 2cu5 n ASN 80 Ca -0.01 -3.03 0.10 0.00 -0.53 0.00 0.00 54.58 51.11 2cu5 n ASN 80 Cb 0.04 -0.55 0.48 0.00 -2.08 0.00 0.00 39.78 37.67 2cu5 n ASN 80 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2cu5 h SER 81 N 1.83 0.40 -0.85 0.53 0.02 -1.91 -0.41 113.55 113.16 2cu5 h SER 81 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2cu5 h SER 81 Cb 1.46 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.87 2cu5 h SER 81 CO 0.23 0.25 0.55 1.12 -1.14 0.00 0.00 176.83 177.85 2cu5 h HIS 82 N 0.45 0.98 -0.00 3.45 2.07 -1.82 -0.32 115.15 119.95 2cu5 h HIS 82 Ca 0.25 0.02 -0.18 0.00 -2.85 0.00 0.00 60.37 57.61 2cu5 h HIS 82 Cb 0.39 -0.32 -0.02 0.00 2.57 0.00 0.00 27.41 30.03 2cu5 h HIS 82 CO -0.00 0.53 -0.82 0.00 -3.07 0.00 0.00 177.93 174.57 2cu5 h ALA 83 N 1.53 0.61 -0.53 6.11 0.00 -1.39 -1.87 119.26 123.73 2cu5 h ALA 83 Ca 0.36 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2cu5 h ALA 83 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cu5 h ALA 83 CO -0.12 0.92 0.02 0.45 0.00 0.00 0.00 179.25 180.52 2cu5 h HIS 84 N 0.08 0.99 -0.29 0.00 3.86 -0.68 -1.58 115.15 117.53 2cu5 h HIS 84 Ca -0.03 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 2cu5 h HIS 84 Cb 1.43 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 2cu5 h HIS 84 CO 0.02 0.91 -0.02 1.25 0.86 0.00 0.00 177.93 180.94 2cu5 h LEU 85 N 0.79 0.51 -1.44 2.43 5.85 -1.02 -1.33 115.31 121.11 2cu5 h LEU 85 Ca 0.15 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2cu5 h LEU 85 Cb 0.50 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2cu5 h LEU 85 CO 0.02 0.72 0.39 0.11 -0.34 0.00 0.00 178.44 179.34 2cu5 h LYS 86 N 0.30 0.75 -0.21 1.25 1.57 -1.23 -0.04 116.57 118.95 2cu5 h LYS 86 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2cu5 h LYS 86 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2cu5 h LYS 86 CO 0.02 0.49 -0.00 1.03 -0.57 0.00 0.00 179.45 180.42 2cu5 h SER 87 N 0.77 0.37 -0.87 0.86 0.87 -1.06 -0.52 113.55 113.97 2cu5 h SER 87 Ca 0.22 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2cu5 h SER 87 Cb -0.05 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 2cu5 h SER 87 CO -0.05 0.59 0.54 0.25 -0.53 0.00 0.00 176.83 177.62 2cu5 h LEU 88 N 0.14 1.04 -0.64 2.23 6.46 -0.56 0.13 115.31 124.11 2cu5 h LEU 88 Ca 0.06 -0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 2cu5 h LEU 88 Cb 0.40 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2cu5 h LEU 88 CO 0.01 0.79 -0.45 -0.07 -0.62 0.00 0.00 178.44 178.10 2cu5 h LEU 89 N 1.19 0.58 0.10 2.25 3.38 -0.89 -3.29 115.31 118.63 2cu5 h LEU 89 Ca 0.31 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2cu5 h LEU 89 Cb -0.07 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.53 2cu5 h LEU 89 CO -0.06 0.95 -0.63 0.74 0.09 0.00 0.00 178.44 179.53 2cu5 h THR 90 N 0.44 1.56 0.00 0.22 2.02 -0.82 -3.51 112.91 112.81 2cu5 h THR 90 Ca 0.03 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.73 2cu5 h THR 90 Cb 0.96 3.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.59 2cu5 h THR 90 CO 0.09 0.68 0.00 0.61 0.37 0.00 0.00 175.52 177.27 2cu5 n GLY 91 N 1.65 2.71 0.29 2.16 0.00 0.44 -4.77 105.19 107.67 2cu5 n GLY 91 Ca -0.14 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.10 2cu5 n GLY 91 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cu5 n VAL 92 N 0.67 1.41 -3.78 1.61 0.24 -1.26 -1.33 118.33 115.88 2cu5 n VAL 92 Ca 0.00 -1.44 -0.10 0.00 -2.04 0.00 0.00 64.34 60.76 2cu5 n VAL 92 Cb 0.00 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 2cu5 n VAL 92 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2cu5 s HIS 93 N -1.73 -0.02 0.05 6.34 -3.43 -1.26 -1.73 115.29 113.52 2cu5 s HIS 93 Ca 0.19 -0.25 -0.03 0.00 -0.80 0.00 0.00 55.06 54.17 2cu5 s HIS 93 Cb 0.14 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 2cu5 s HIS 93 CO 0.05 -0.53 0.03 -0.51 -2.00 0.00 0.00 174.74 171.78 2cu5 s LEU 94 N -2.43 2.15 -0.10 5.38 1.43 -0.40 -4.91 118.68 119.81 2cu5 s LEU 94 Ca -0.01 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2cu5 s LEU 94 Cb 0.01 0.39 0.04 0.00 0.03 0.00 0.00 46.19 46.66 2cu5 s LEU 94 CO -0.07 -0.55 0.04 -0.22 0.23 0.00 0.00 176.35 175.78 2cu5 s LEU 95 N -2.52 0.48 0.12 1.79 2.96 -1.26 -1.20 118.68 119.06 2cu5 s LEU 95 Ca 0.01 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2cu5 s LEU 95 Cb 0.03 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 2cu5 s LEU 95 CO -0.08 -0.26 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.82 2cu5 s LEU 96 N 2.05 2.46 0.13 -0.68 1.43 -0.03 -4.93 118.68 119.11 2cu5 s LEU 96 Ca 0.04 -0.90 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 2cu5 s LEU 96 Cb -0.14 -0.39 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 2cu5 s LEU 96 CO -0.06 -0.26 0.65 -0.76 0.23 0.00 0.00 176.35 176.15 2cu5 s LEU 97 N -2.75 4.49 0.03 1.79 1.43 -1.26 0.10 118.68 122.51 2cu5 s LEU 97 Ca 0.11 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 2cu5 s LEU 97 Cb -0.01 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 2cu5 s LEU 97 CO 0.01 0.19 -0.10 0.00 0.23 0.00 0.00 176.35 176.68 2cu5 s ALA 98 N -1.24 0.85 -0.15 4.21 0.00 -0.15 -0.16 121.76 125.11 2cu5 s ALA 98 Ca 0.34 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2cu5 s ALA 98 Cb -0.19 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.88 2cu5 s ALA 98 CO 0.21 0.12 0.01 -2.00 0.00 0.00 0.00 175.76 174.10 2cu5 s GLU 99 N -1.14 0.79 -1.40 0.00 2.12 0.13 -0.91 118.70 118.29 2cu5 s GLU 99 Ca -0.02 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 2cu5 s GLU 99 Cb -0.08 -1.76 0.02 0.00 0.26 0.00 0.00 34.13 32.58 2cu5 s GLU 99 CO 0.01 -0.50 0.63 1.63 -0.54 0.00 0.00 175.26 176.49 2cu5 n LYS 100 N 5.05 -4.26 -0.82 4.30 5.02 -0.88 -1.71 118.16 124.84 2cu5 n LYS 100 Ca -0.09 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2cu5 n LYS 100 Cb 0.48 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 2cu5 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cu5 n GLY 101 N -1.74 0.91 3.23 0.72 0.00 0.35 -4.56 105.19 104.09 2cu5 n GLY 101 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2cu5 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cu5 s ARG 102 N -0.18 2.72 0.22 1.61 0.52 -0.70 -4.71 118.95 118.44 2cu5 s ARG 102 Ca 0.00 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 2cu5 s ARG 102 Cb 0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 2cu5 s ARG 102 CO 0.00 0.27 1.34 -0.51 0.02 0.00 0.00 175.30 176.42 2cu5 s LEU 103 N 0.11 4.41 -0.48 2.53 1.43 -1.26 0.20 118.68 125.63 2cu5 s LEU 103 Ca -0.11 2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 55.26 2cu5 s LEU 103 Cb -0.16 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.48 2cu5 s LEU 103 CO 0.06 -0.57 0.72 -0.13 0.23 0.00 0.00 176.35 176.66 2cu5 s ARG 104 N -0.32 3.27 0.23 1.70 1.81 0.78 -4.88 118.95 121.54 2cu5 s ARG 104 Ca 0.57 -0.44 0.03 0.00 -1.72 0.00 0.00 55.73 54.17 2cu5 s ARG 104 Cb -0.38 -4.00 -0.05 0.00 -0.45 0.00 0.00 34.95 30.06 2cu5 s ARG 104 CO 0.41 -1.17 0.01 -0.51 -0.68 0.00 0.00 175.30 173.35 2cu5 s LEU 105 N 3.06 2.12 0.97 2.53 1.43 -1.26 -4.56 118.68 122.97 2cu5 s LEU 105 Ca 0.23 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2cu5 s LEU 105 Cb -0.15 -0.21 0.17 0.00 0.03 0.00 0.00 46.19 46.03 2cu5 s LEU 105 CO 0.18 -0.55 1.09 -0.83 0.23 0.00 0.00 176.35 176.47 2cu5 s GLY 106 N -3.29 1.58 0.59 -3.19 0.00 -1.26 -4.91 107.32 96.84 2cu5 s GLY 106 Ca 0.29 -0.24 0.29 0.00 0.00 0.00 0.00 44.72 45.06 2cu5 s GLY 106 CO 0.09 0.33 2.22 -0.09 0.00 0.00 0.00 173.10 175.64 2cu5 h ARG 107 N -1.82 0.00 -0.04 2.90 2.43 -2.03 -2.72 114.38 113.10 2cu5 h ARG 107 Ca -0.53 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2cu5 h ARG 107 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2cu5 h ARG 107 CO 0.56 0.00 -0.27 0.91 -1.51 0.00 0.00 179.97 179.66 2cu5 n TRP 108 N -3.85 0.12 -4.41 2.20 7.02 -1.26 -5.04 117.44 112.22 2cu5 n TRP 108 Ca -0.02 -1.30 -0.32 0.00 -1.02 0.00 0.00 57.50 54.84 2cu5 n TRP 108 Cb 0.14 -0.23 -0.10 0.00 -2.42 0.00 0.00 31.31 28.70 2cu5 n TRP 108 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2cu5 s GLN 109 N -3.09 2.62 0.02 -0.99 -0.21 -1.03 -3.57 119.66 113.40 2cu5 s GLN 109 Ca 0.36 -0.69 -0.07 0.00 0.02 0.00 0.00 55.36 54.99 2cu5 s GLN 109 Cb 0.34 -2.55 -0.00 0.00 1.00 0.00 0.00 33.01 31.80 2cu5 s GLN 109 CO -0.02 0.61 0.13 -0.65 -2.12 0.00 0.00 175.29 173.24 2cu5 s GLN 110 N -1.44 0.53 -0.18 2.91 -1.52 0.23 -4.76 119.66 115.43 2cu5 s GLN 110 Ca 0.18 -0.53 -0.19 0.00 -1.95 0.00 0.00 55.36 52.87 2cu5 s GLN 110 Cb -0.11 0.22 -0.03 0.00 -0.22 0.00 0.00 33.01 32.86 2cu5 s GLN 110 CO 0.08 -0.13 0.52 0.08 -0.25 0.00 0.00 175.29 175.59 2cu5 s VAL 111 N -1.87 5.11 0.03 1.09 1.01 -1.26 -1.85 120.40 122.66 2cu5 s VAL 111 Ca -0.11 0.98 0.09 0.00 0.00 0.00 0.00 61.98 62.93 2cu5 s VAL 111 Cb -0.05 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2cu5 s VAL 111 CO -0.01 0.20 -0.26 -0.36 0.00 0.00 0.00 175.10 174.68 2cu5 s PHE 112 N 1.45 2.28 -0.39 5.22 0.08 0.10 -0.92 117.98 125.79 2cu5 s PHE 112 Ca 0.25 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.73 2cu5 s PHE 112 Cb -0.15 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2cu5 s PHE 112 CO 0.10 0.08 0.37 -1.17 -0.10 0.00 0.00 175.22 174.50 2cu5 s LEU 113 N -1.06 4.80 -0.63 -0.37 0.20 0.51 -1.85 118.68 120.27 2cu5 s LEU 113 Ca 0.11 -0.60 -0.23 0.00 0.69 0.00 0.00 54.13 54.09 2cu5 s LEU 113 Cb -0.10 -2.30 0.06 0.00 -0.43 0.00 0.00 46.19 43.42 2cu5 s LEU 113 CO 0.01 -0.46 0.97 0.00 -0.29 0.00 0.00 176.35 176.58 2cu5 s ALA 114 N 1.96 3.11 -0.18 5.97 0.00 0.18 -1.26 121.76 131.55 2cu5 s ALA 114 Ca 0.10 -1.66 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 2cu5 s ALA 114 Cb -0.17 -3.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 2cu5 s ALA 114 CO 0.12 -2.68 0.66 -2.00 0.00 0.00 0.00 175.76 171.85 2cu5 s GLU 115 N 4.09 4.25 0.00 0.00 2.56 0.08 -0.21 118.70 129.47 2cu5 s GLU 115 Ca 0.25 0.69 0.04 0.00 0.00 0.00 0.00 54.97 55.94 2cu5 s GLU 115 Cb -0.15 -3.56 -0.01 0.00 2.00 0.00 0.00 34.13 32.41 2cu5 s GLU 115 CO 0.13 -0.20 0.34 1.19 -0.56 0.00 0.00 175.26 176.16 2cu5 n PHE 116 N 4.88 0.00 -2.93 5.30 3.72 -1.18 -1.33 117.46 125.93 2cu5 n PHE 116 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2cu5 n PHE 116 Cb 0.50 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 2cu5 n PHE 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2cu5 n ASP 117 N -0.57 -0.39 0.00 4.37 2.03 -1.20 -4.74 116.55 116.05 2cu5 n ASP 117 Ca 0.01 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.18 2cu5 n ASP 117 Cb 0.08 0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2cu5 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu5 n GLY 118 N 0.18 2.50 3.77 0.27 0.00 0.10 -4.79 105.19 107.23 2cu5 n GLY 118 Ca 0.14 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 2cu5 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cu5 s PRO 119 N 2.80 4.48 0.13 1.61 0.04 -1.23 -4.43 135.00 138.40 2cu5 s PRO 119 Ca 0.00 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 2cu5 s PRO 119 Cb 0.00 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.72 2cu5 s PRO 119 CO 0.00 0.15 0.18 0.54 0.04 0.00 0.00 177.00 177.91 2cu5 n ARG 120 N 0.54 0.26 -3.84 4.56 1.74 -1.01 -4.95 116.66 113.96 2cu5 n ARG 120 Ca 0.02 -1.08 -0.30 0.00 -0.77 0.00 0.00 57.85 55.72 2cu5 n ARG 120 Cb 0.49 1.03 -0.15 0.00 -1.02 0.00 0.00 32.46 32.80 2cu5 n ARG 120 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cu5 s VAL 121 N -2.57 1.46 0.54 1.55 1.01 -1.26 -0.23 120.40 120.90 2cu5 s VAL 121 Ca 0.11 -1.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.19 2cu5 s VAL 121 Cb -0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2cu5 s VAL 121 CO 0.08 -0.66 0.86 -0.13 0.00 0.00 0.00 175.10 175.25 2cu5 s ARG 122 N 1.26 3.31 -0.03 2.72 1.81 -0.06 -4.78 118.95 123.18 2cu5 s ARG 122 Ca 0.11 0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.31 2cu5 s ARG 122 Cb -0.18 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 2cu5 s ARG 122 CO -0.17 -0.44 -0.00 -1.21 -0.68 0.00 0.00 175.30 172.80 2cu5 s GLU 123 N -4.89 2.83 -0.08 3.54 2.02 -1.26 0.27 118.70 121.13 2cu5 s GLU 123 Ca 0.51 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 2cu5 s GLU 123 Cb -0.10 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2cu5 s GLU 123 CO 0.46 0.65 0.00 0.08 0.02 0.00 0.00 175.26 176.47 2cu5 s VAL 124 N -1.02 0.40 0.02 2.63 1.01 -0.25 -4.22 120.40 118.97 2cu5 s VAL 124 Ca 0.18 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 2cu5 s VAL 124 Cb -0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.63 2cu5 s VAL 124 CO 0.08 0.23 0.47 0.26 0.00 0.00 0.00 175.10 176.14 2cu5 s TRP 125 N 1.96 3.75 -0.12 5.22 0.51 0.46 -0.86 118.94 129.86 2cu5 s TRP 125 Ca 0.05 1.09 0.02 0.00 -2.12 0.00 0.00 56.10 55.13 2cu5 s TRP 125 Cb -0.13 -2.37 0.01 0.00 -0.81 0.00 0.00 33.47 30.18 2cu5 s TRP 125 CO -0.06 0.61 -0.17 0.08 -0.51 0.00 0.00 176.95 176.91 2cu5 s VAL 126 N -1.02 1.62 -0.08 4.03 1.01 0.16 -1.87 120.40 124.25 2cu5 s VAL 126 Ca 0.26 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2cu5 s VAL 126 Cb -0.18 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2cu5 s VAL 126 CO 0.15 0.47 -0.13 -0.60 0.00 0.00 0.00 175.10 174.99 2cu5 s ARG 127 N 0.98 1.87 -0.09 2.72 6.06 -0.06 -1.21 118.95 129.22 2cu5 s ARG 127 Ca -0.06 -0.45 -0.17 0.00 -2.50 0.00 0.00 55.73 52.55 2cu5 s ARG 127 Cb -0.15 -1.59 -0.05 0.00 0.06 0.00 0.00 34.95 33.23 2cu5 s ARG 127 CO -0.02 -0.02 0.45 -0.51 -2.50 0.00 0.00 175.30 172.69 2cu5 s LEU 128 N 0.85 4.32 0.00 -0.88 1.43 -1.26 0.43 118.68 123.57 2cu5 s LEU 128 Ca -0.11 0.83 0.25 0.00 -1.03 0.00 0.00 54.13 54.07 2cu5 s LEU 128 Cb -0.15 -2.65 0.39 0.00 0.03 0.00 0.00 46.19 43.81 2cu5 s LEU 128 CO 0.01 0.09 1.37 0.18 0.23 0.00 0.00 176.35 178.23