#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5i s VAL 2 N 0.00 4.65 0.18 2.53 1.01 -1.26 -5.03 120.40 122.48 1s5i s VAL 2 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1s5i s VAL 2 Cb 0.00 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 1s5i s VAL 2 CO 0.00 -0.92 1.28 -1.58 0.00 0.00 0.00 175.10 173.88 1s5i s GLN 3 N 3.25 4.41 -0.31 2.72 0.74 -1.26 -4.82 119.66 124.40 1s5i s GLN 3 Ca 0.23 2.00 0.01 0.00 0.05 0.00 0.00 55.36 57.65 1s5i s GLN 3 Cb -0.16 -3.22 0.07 0.00 1.10 0.00 0.00 33.01 30.81 1s5i s GLN 3 CO 0.16 -0.23 -0.00 -1.64 -0.55 0.00 0.00 175.29 173.03 1s5i s MET 4 N -0.01 2.15 -0.23 1.67 -1.94 -1.26 -2.07 119.30 117.60 1s5i s MET 4 Ca 0.56 -1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 52.97 1s5i s MET 4 Cb -0.35 -3.13 -0.05 0.00 2.01 0.00 0.00 34.83 33.30 1s5i s MET 4 CO 0.37 -0.71 0.17 0.99 -0.01 0.00 0.00 175.02 175.83 1s5i s THR 5 N 1.13 5.36 0.12 2.05 2.01 -0.19 -3.84 115.64 122.27 1s5i s THR 5 Ca -0.02 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1s5i s THR 5 Cb -0.20 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1s5i s THR 5 CO -0.04 0.35 0.01 -1.10 -0.69 0.00 0.00 174.62 173.15 1s5i s GLN 6 N 0.98 2.53 -0.16 4.92 -0.21 -1.26 -0.92 119.66 125.55 1s5i s GLN 6 Ca 0.08 -0.92 -0.11 0.00 0.02 0.00 0.00 55.36 54.43 1s5i s GLN 6 Cb -0.13 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1s5i s GLN 6 CO 0.04 0.51 0.40 0.99 -2.12 0.00 0.00 175.29 175.10 1s5i s THR 7 N -1.47 -0.02 0.83 -0.19 2.01 0.22 -4.51 115.64 112.51 1s5i s THR 7 Ca 0.27 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.22 1s5i s THR 7 Cb -0.11 -0.58 0.13 0.00 0.01 0.00 0.00 72.50 71.96 1s5i s THR 7 CO 0.19 0.02 1.16 -2.16 -0.69 0.00 0.00 174.62 173.14 1s5i s PRO 8 N 0.91 1.43 0.20 4.92 0.04 -1.26 -0.55 135.00 140.69 1s5i s PRO 8 Ca -0.06 -0.43 0.04 0.00 0.04 0.00 0.00 61.00 60.60 1s5i s PRO 8 Cb -0.06 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.56 1s5i s PRO 8 CO -0.07 -1.81 1.47 -0.07 0.04 0.00 0.00 177.00 176.56 1s5i h LEU 9 N -1.07 0.23 -7.57 -3.56 3.38 -1.87 -3.43 115.31 101.41 1s5i h LEU 9 Ca -0.43 -0.16 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 1s5i h LEU 9 Cb 1.28 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 41.62 1s5i h LEU 9 CO 0.48 0.89 -0.74 0.28 0.09 0.00 0.00 178.44 179.44 1s5i s THR 10 N -3.45 0.06 -0.12 0.22 -1.32 -1.26 -1.70 115.64 108.06 1s5i s THR 10 Ca -0.03 0.15 0.02 0.00 -1.21 0.00 0.00 61.69 60.62 1s5i s THR 10 Cb 0.11 -0.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.94 1s5i s THR 10 CO 0.81 0.11 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.93 1s5i s LEU 11 N 1.02 1.90 -0.24 9.08 2.96 0.15 -4.94 118.68 128.62 1s5i s LEU 11 Ca -0.09 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1s5i s LEU 11 Cb -0.13 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 1s5i s LEU 11 CO -0.02 0.04 0.03 -0.55 -1.32 0.00 0.00 176.35 174.53 1s5i s SER 12 N 0.92 4.87 -0.01 3.68 0.15 -1.26 0.75 113.70 122.82 1s5i s SER 12 Ca -0.06 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1s5i s SER 12 Cb -0.15 -1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1s5i s SER 12 CO -0.02 -0.02 -0.13 -0.69 1.20 0.00 0.00 173.24 173.58 1s5i s VAL 13 N 1.51 1.00 -0.13 4.45 1.01 0.54 -4.80 120.40 123.98 1s5i s VAL 13 Ca 0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1s5i s VAL 13 Cb -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1s5i s VAL 13 CO 0.01 0.27 0.81 0.28 0.00 0.00 0.00 175.10 176.48 1s5i s THR 14 N -0.32 4.92 0.05 3.92 -1.32 -1.26 -0.52 115.64 121.12 1s5i s THR 14 Ca 0.05 1.62 -0.28 0.00 -1.21 0.00 0.00 61.69 61.87 1s5i s THR 14 Cb -0.05 -4.13 -0.15 0.00 -1.51 0.00 0.00 72.50 66.67 1s5i s THR 14 CO -0.00 0.09 0.68 -0.38 -2.21 0.00 0.00 174.62 172.80 1s5i n ILE 15 N 4.42 0.54 0.00 5.08 2.08 -1.26 -1.99 119.36 128.24 1s5i n ILE 15 Ca 0.03 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1s5i n ILE 15 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 1s5i n ILE 15 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s5i n GLY 16 N 1.30 1.58 3.85 7.39 0.00 0.02 -4.94 105.19 114.38 1s5i n GLY 16 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1s5i n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s5i s GLN 17 N -0.56 3.04 0.43 1.61 -0.21 -0.84 -4.51 119.66 118.62 1s5i s GLN 17 Ca 0.00 -0.89 -0.23 0.00 0.02 0.00 0.00 55.36 54.25 1s5i s GLN 17 Cb 0.00 -2.68 -0.08 0.00 1.00 0.00 0.00 33.01 31.25 1s5i s GLN 17 CO 0.00 0.45 1.12 -1.25 -2.12 0.00 0.00 175.29 173.49 1s5i s PRO 18 N -3.50 3.92 0.13 2.91 0.04 -1.17 -1.55 135.00 135.78 1s5i s PRO 18 Ca 0.32 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1s5i s PRO 18 Cb -0.09 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1s5i s PRO 18 CO 0.25 -0.39 -0.18 0.00 0.04 0.00 0.00 177.00 176.72 1s5i s ALA 19 N -1.58 1.80 -0.07 8.56 0.00 -0.08 -4.94 121.76 125.45 1s5i s ALA 19 Ca 0.61 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1s5i s ALA 19 Cb -0.26 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1s5i s ALA 19 CO 0.32 0.26 0.14 0.45 0.00 0.00 0.00 175.76 176.94 1s5i s SER 20 N -2.28 0.21 -0.07 0.00 0.15 -1.26 -0.49 113.70 109.96 1s5i s SER 20 Ca 0.10 0.29 0.03 0.00 0.70 0.00 0.00 55.95 57.08 1s5i s SER 20 Cb -0.08 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1s5i s SER 20 CO 0.05 -0.18 -0.16 -0.63 1.20 0.00 0.00 173.24 173.52 1s5i s ILE 21 N 1.56 2.87 -0.10 6.45 1.01 -0.50 -4.75 121.20 127.73 1s5i s ILE 21 Ca -0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 1s5i s ILE 21 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1s5i s ILE 21 CO -0.06 0.57 -0.08 -0.55 0.00 0.00 0.00 174.94 174.82 1s5i s SER 22 N -0.42 4.46 -0.02 3.58 0.15 0.29 -1.44 113.70 120.29 1s5i s SER 22 Ca 0.05 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1s5i s SER 22 Cb -0.12 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 1s5i s SER 22 CO 0.02 0.26 -0.21 0.00 1.20 0.00 0.00 173.24 174.51 1s5i s GLU 24 N -0.44 0.27 0.25 0.00 2.12 -0.10 -1.65 118.70 119.15 1s5i s GLU 24 Ca 0.07 0.68 0.05 0.00 0.36 0.00 0.00 54.97 56.12 1s5i s GLU 24 Cb -0.09 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1s5i s GLU 24 CO -0.00 -0.18 0.37 -1.54 -0.54 0.00 0.00 175.26 173.36 1s5i s SER 25 N 1.53 6.26 0.40 -1.70 1.04 -1.03 -1.02 113.70 119.18 1s5i s SER 25 Ca -0.08 0.03 0.27 0.00 0.48 0.00 0.00 55.95 56.66 1s5i s SER 25 Cb -0.10 -1.79 0.88 0.00 0.10 0.00 0.00 66.02 65.11 1s5i s SER 25 CO -0.10 -0.10 1.78 0.77 0.98 0.00 0.00 173.24 176.57 1s5i h SER 26 N 1.15 0.00 -5.06 7.02 4.64 -1.76 -3.45 113.55 116.10 1s5i h SER 26 Ca -0.51 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.66 1s5i h SER 26 Cb 1.23 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.13 1s5i h SER 26 CO 0.60 0.00 -0.61 -1.10 -0.87 0.00 0.00 176.83 174.85 1s5i s GLN 27 N -3.36 0.47 0.00 4.77 -0.21 -1.26 -5.04 119.66 115.04 1s5i s GLN 27 Ca 0.05 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1s5i s GLN 27 Cb 0.08 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.27 1s5i s GLN 27 CO 0.56 -0.10 0.00 0.45 -2.12 0.00 0.00 175.29 174.08 1s5i n SER 27 N 1.07 -0.57 -1.37 5.90 2.88 -1.26 -4.72 113.62 115.54 1s5i n SER 27 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1s5i n SER 27 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1s5i n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1s5i n LEU 27 N 0.00 -5.26 -4.99 2.46 7.94 -1.26 -4.97 117.00 110.92 1s5i n LEU 27 Ca 0.00 2.40 -0.19 0.00 -1.11 0.00 0.00 56.01 57.11 1s5i n LEU 27 Cb 0.00 -2.05 0.00 0.00 0.53 0.00 0.00 43.42 41.91 1s5i n LEU 27 CO 0.00 -0.47 0.13 -0.47 -1.11 0.00 0.00 177.39 175.47 1s5i s TYR 27 N -1.75 3.03 0.52 1.96 5.04 -0.56 -5.00 117.35 120.59 1s5i s TYR 27 Ca 0.00 -0.20 0.16 0.00 -2.44 0.00 0.00 57.07 54.60 1s5i s TYR 27 Cb 0.00 -2.18 1.27 0.00 0.35 0.00 0.00 41.96 41.40 1s5i s TYR 27 CO 0.00 -0.22 2.14 0.66 -1.34 0.00 0.00 175.55 176.79 1s5i h SER 27 N 0.71 0.01 -0.06 4.32 4.64 -2.00 -0.76 113.55 120.41 1s5i h SER 27 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1s5i h SER 27 Cb 1.26 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s5i h SER 27 CO 0.51 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.02 1s5i n ASN 28 N -4.53 0.40 0.00 4.97 0.23 -1.26 -4.86 115.26 110.22 1s5i n ASN 28 Ca -0.02 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 1s5i n ASN 28 Cb 0.13 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1s5i n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s5i n GLY 29 N 0.72 0.86 3.75 4.83 0.00 -0.29 -5.05 105.19 110.01 1s5i n GLY 29 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1s5i n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5i s LYS 30 N -0.26 3.07 -0.27 1.61 1.02 -1.26 -4.81 119.74 118.84 1s5i s LYS 30 Ca 0.00 -0.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 1s5i s LYS 30 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1s5i s LYS 30 CO 0.00 0.69 0.14 0.99 -0.92 0.00 0.00 175.35 176.25 1s5i s THR 31 N -1.02 4.90 -1.10 2.17 2.01 -1.26 -1.50 115.64 119.83 1s5i s THR 31 Ca 0.17 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1s5i s THR 31 Cb -0.12 -3.32 0.23 0.00 0.01 0.00 0.00 72.50 69.30 1s5i s THR 31 CO 0.07 0.28 1.18 -0.31 -0.69 0.00 0.00 174.62 175.15 1s5i s TYR 32 N 1.70 3.91 -0.05 4.92 2.02 -1.26 -4.12 117.35 124.47 1s5i s TYR 32 Ca 0.07 -2.36 0.02 0.00 -0.37 0.00 0.00 57.07 54.42 1s5i s TYR 32 Cb -0.16 -4.01 0.01 0.00 -0.40 0.00 0.00 41.96 37.40 1s5i s TYR 32 CO 0.08 -1.13 -0.09 -1.17 -1.57 0.00 0.00 175.55 171.67 1s5i s LEU 33 N 0.03 1.58 0.21 -1.29 2.96 -1.26 -1.38 118.68 119.52 1s5i s LEU 33 Ca 0.33 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1s5i s LEU 33 Cb -0.07 -0.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 1s5i s LEU 33 CO -0.06 0.01 -0.14 0.20 -1.32 0.00 0.00 176.35 175.05 1s5i s ASN 34 N 0.64 2.54 -0.15 3.68 0.01 -0.75 -1.45 114.94 119.46 1s5i s ASN 34 Ca -0.11 -1.03 0.01 0.00 -0.71 0.00 0.00 52.86 51.02 1s5i s ASN 34 Cb -0.14 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.41 1s5i s ASN 34 CO 0.02 -0.19 -0.18 0.26 -1.51 0.00 0.00 177.10 175.50 1s5i s TRP 35 N -2.99 2.46 0.19 2.20 0.52 -0.27 -0.32 118.94 120.72 1s5i s TRP 35 Ca 0.23 -1.36 0.06 0.00 0.02 0.00 0.00 56.10 55.05 1s5i s TRP 35 Cb -0.00 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1s5i s TRP 35 CO 0.07 -0.68 0.12 -0.51 0.02 0.00 0.00 176.95 175.97 1s5i s LEU 36 N 1.21 3.71 -0.03 2.99 1.43 0.19 -0.31 118.68 127.87 1s5i s LEU 36 Ca 0.01 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1s5i s LEU 36 Cb -0.14 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.79 1s5i s LEU 36 CO -0.08 0.04 -0.08 -0.22 0.23 0.00 0.00 176.35 176.25 1s5i s LEU 37 N -3.27 1.70 -0.25 1.79 2.96 0.18 -1.16 118.68 120.63 1s5i s LEU 37 Ca 0.31 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1s5i s LEU 37 Cb -0.09 -0.50 0.07 0.00 0.50 0.00 0.00 46.19 46.17 1s5i s LEU 37 CO 0.23 0.04 0.01 -1.58 -1.32 0.00 0.00 176.35 173.72 1s5i s GLN 38 N 0.34 1.22 0.59 1.98 0.74 -0.07 0.37 119.66 124.82 1s5i s GLN 38 Ca -0.05 -0.97 -0.14 0.00 0.05 0.00 0.00 55.36 54.26 1s5i s GLN 38 Cb -0.09 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.55 1s5i s GLN 38 CO 0.00 -0.72 1.02 1.03 -0.55 0.00 0.00 175.29 176.08 1s5i s ARG 39 N 1.49 3.60 0.30 1.67 0.52 -1.26 -1.43 118.95 123.84 1s5i s ARG 39 Ca -0.00 0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 55.84 1s5i s ARG 39 Cb -0.18 -2.08 -0.13 0.00 0.52 0.00 0.00 34.95 33.08 1s5i s ARG 39 CO -0.11 -0.56 1.26 -2.30 0.02 0.00 0.00 175.30 173.61 1s5i n PRO 40 N -2.25 1.90 -1.23 3.54 -0.02 -1.26 -1.66 135.00 134.01 1s5i n PRO 40 Ca 0.07 0.67 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 1s5i n PRO 40 Cb 0.54 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1s5i n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5i n GLY 41 N 1.29 0.95 3.31 -1.23 0.00 -1.26 -4.99 105.19 103.26 1s5i n GLY 41 Ca 0.08 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1s5i n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s5i s GLN 42 N -2.40 1.59 0.48 1.61 -0.21 -0.67 -5.16 119.66 114.91 1s5i s GLN 42 Ca 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 55.36 53.39 1s5i s GLN 42 Cb 0.00 0.06 -0.05 0.00 1.00 0.00 0.00 33.01 34.02 1s5i s GLN 42 CO 0.00 -0.50 0.84 -1.12 -2.12 0.00 0.00 175.29 172.39 1s5i s SER 43 N -3.35 6.36 0.51 5.90 0.01 -1.26 -4.62 113.70 117.25 1s5i s SER 43 Ca 0.37 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 1s5i s SER 43 Cb 0.04 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1s5i s SER 43 CO 0.19 -0.57 1.33 -2.84 0.41 0.00 0.00 173.24 171.76 1s5i s PRO 44 N -4.48 3.38 -0.06 12.44 0.02 -1.26 -4.52 135.00 140.51 1s5i s PRO 44 Ca 0.51 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.69 1s5i s PRO 44 Cb -0.10 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 32.07 1s5i s PRO 44 CO 0.41 -0.98 -0.03 0.21 -0.33 0.00 0.00 177.00 176.29 1s5i s LYS 45 N -2.76 0.78 0.21 5.54 2.20 0.16 -4.90 119.74 120.96 1s5i s LYS 45 Ca 0.68 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 1s5i s LYS 45 Cb -0.38 -0.96 -0.09 0.00 -1.51 0.00 0.00 37.83 34.88 1s5i s LYS 45 CO 0.47 -0.20 1.33 0.50 -0.36 0.00 0.00 175.35 177.08 1s5i s ARG 46 N 1.48 4.37 -0.05 4.03 3.52 -1.26 -0.65 118.95 130.39 1s5i s ARG 46 Ca -0.02 2.10 0.05 0.00 -0.13 0.00 0.00 55.73 57.72 1s5i s ARG 46 Cb -0.13 -3.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1s5i s ARG 46 CO -0.03 -0.27 0.03 1.28 -0.81 0.00 0.00 175.30 175.49 1s5i n LEU 47 N 2.53 0.00 -3.77 -0.88 4.77 0.58 -4.83 117.00 115.40 1s5i n LEU 47 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1s5i n LEU 47 Cb 0.42 0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1s5i n LEU 47 CO 0.58 0.12 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.00 1s5i s ILE 48 N -2.16 -0.02 0.20 -0.08 1.01 -1.16 -1.92 121.20 117.07 1s5i s ILE 48 Ca -0.03 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.77 1s5i s ILE 48 Cb 0.02 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 1s5i s ILE 48 CO 0.22 0.03 -0.14 -0.72 0.00 0.00 0.00 174.94 174.33 1s5i s TYR 49 N 0.65 1.69 -1.37 3.97 1.13 -0.35 -1.12 117.35 121.96 1s5i s TYR 49 Ca -0.04 -0.59 -0.01 0.00 -1.41 0.00 0.00 57.07 55.02 1s5i s TYR 49 Cb -0.06 -0.80 0.01 0.00 -1.10 0.00 0.00 41.96 40.01 1s5i s TYR 49 CO -0.04 0.34 0.57 1.28 -2.51 0.00 0.00 175.55 175.19 1s5i n LEU 50 N -0.38 -2.63 0.00 -3.49 4.77 -1.03 -1.28 117.00 112.96 1s5i n LEU 50 Ca -0.08 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1s5i n LEU 50 Cb 0.60 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 1s5i n LEU 50 CO 0.35 0.42 0.00 0.55 -1.33 0.00 0.00 177.39 177.38 1s5i n VAL 51 N -4.35 0.00 0.00 4.08 3.14 -0.53 -3.55 118.33 117.12 1s5i n VAL 51 Ca -0.29 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1s5i n VAL 51 Cb 0.68 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 1s5i n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1s5i n SER 52 N 0.00 0.02 -4.68 6.55 3.41 -1.19 -3.19 113.62 114.54 1s5i n SER 52 Ca 0.00 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 1s5i n SER 52 Cb 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1s5i n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s5i s LYS 53 N -0.15 4.30 0.46 4.33 -0.14 -0.40 -4.55 119.74 123.58 1s5i s LYS 53 Ca 0.00 1.71 -0.21 0.00 -1.36 0.00 0.00 55.97 56.12 1s5i s LYS 53 Cb 0.00 -3.64 -0.09 0.00 -1.68 0.00 0.00 37.83 32.42 1s5i s LYS 53 CO 0.00 -0.56 1.00 -0.51 -0.76 0.00 0.00 175.35 174.53 1s5i s LEU 54 N 2.70 3.91 0.36 3.17 1.02 -1.26 -1.21 118.68 127.38 1s5i s LEU 54 Ca 0.57 1.85 -0.02 0.00 0.02 0.00 0.00 54.13 56.54 1s5i s LEU 54 Cb -0.25 -4.51 -0.04 0.00 0.02 0.00 0.00 46.19 41.41 1s5i s LEU 54 CO 0.20 -0.59 0.61 -1.81 0.02 0.00 0.00 176.35 174.78 1s5i s ASP 55 N -2.02 6.33 0.05 2.29 1.01 -0.81 -4.87 116.67 118.65 1s5i s ASP 55 Ca 0.64 0.63 -0.35 0.00 0.71 0.00 0.00 52.55 54.19 1s5i s ASP 55 Cb -0.14 -2.11 -0.14 0.00 1.01 0.00 0.00 42.92 41.54 1s5i s ASP 55 CO 0.18 -0.34 1.65 -0.24 0.21 0.00 0.00 175.17 176.63 1s5i n SER 56 N -1.69 2.97 0.00 0.27 2.88 -1.26 -1.43 113.62 115.36 1s5i n SER 56 Ca -0.03 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1s5i n SER 56 Cb 0.55 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1s5i n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s5i n GLY 57 N 3.65 1.51 3.71 0.46 0.00 -1.26 -5.02 105.19 108.24 1s5i n GLY 57 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1s5i n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5i s VAL 58 N -3.04 4.86 0.45 1.61 1.01 -0.51 -5.00 120.40 119.78 1s5i s VAL 58 Ca 0.00 2.03 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 1s5i s VAL 58 Cb 0.00 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1s5i s VAL 58 CO 0.00 0.17 1.17 -2.65 0.00 0.00 0.00 175.10 173.79 1s5i n PRO 59 N 3.83 1.62 -0.00 2.72 -0.02 -1.26 -4.85 135.00 137.03 1s5i n PRO 59 Ca 0.05 0.58 0.23 0.00 -2.02 0.00 0.00 63.50 62.34 1s5i n PRO 59 Cb 0.51 -2.28 0.72 0.00 -0.02 0.00 0.00 33.50 32.44 1s5i n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s5i h ASP 60 N 1.69 0.00 -0.71 2.55 3.45 -2.00 -2.32 116.42 119.07 1s5i h ASP 60 Ca -0.47 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.11 1s5i h ASP 60 Cb 1.32 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 40.00 1s5i h ASP 60 CO 0.58 0.00 0.29 0.03 -1.57 0.00 0.00 179.24 178.56 1s5i h ARG 61 N 0.00 0.45 -6.92 3.56 3.08 -1.94 -3.42 114.38 109.17 1s5i h ARG 61 Ca 0.27 -0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.80 1s5i h ARG 61 Cb 1.28 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 31.26 1s5i h ARG 61 CO -0.00 0.29 0.45 -0.06 -1.07 0.00 0.00 179.97 179.59 1s5i s PHE 62 N -6.05 3.27 -0.08 3.04 0.40 -0.88 -1.58 117.98 116.12 1s5i s PHE 62 Ca -0.13 1.63 -0.06 0.00 -0.60 0.00 0.00 56.93 57.77 1s5i s PHE 62 Cb 0.19 -3.25 0.02 0.00 0.51 0.00 0.00 43.02 40.50 1s5i s PHE 62 CO 0.76 -0.83 0.20 0.99 0.70 0.00 0.00 175.22 177.03 1s5i s THR 63 N -1.47 -0.01 -0.00 0.64 2.01 -0.24 -4.97 115.64 111.60 1s5i s THR 63 Ca 0.55 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1s5i s THR 63 Cb -0.27 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1s5i s THR 63 CO 0.34 0.01 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.21 1s5i s GLY 64 N 0.28 1.21 0.22 4.40 0.00 -1.26 -0.80 107.32 111.37 1s5i s GLY 64 Ca -0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 1s5i s GLY 64 CO -0.01 -0.92 0.48 -1.35 0.00 0.00 0.00 173.10 171.29 1s5i s SER 65 N -0.73 -0.13 0.00 1.64 1.04 -0.63 -4.30 113.70 110.59 1s5i s SER 65 Ca 0.10 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1s5i s SER 65 Cb -0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1s5i s SER 65 CO -0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1s5i n GLY 66 N -0.35 1.36 3.64 7.32 0.00 -1.26 0.40 105.19 116.30 1s5i n GLY 66 Ca -0.05 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 1s5i n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s5i s SER 67 N 0.00 -0.18 0.31 1.61 0.15 -0.25 -4.93 113.70 110.42 1s5i s SER 67 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1s5i s SER 67 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1s5i s SER 67 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1s5i n GLY 68 N 1.75 1.04 0.00 9.45 0.00 -1.26 -2.62 105.19 113.55 1s5i n GLY 68 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1s5i n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s5i n THR 69 N 0.00 0.83 -3.67 2.61 -2.24 -1.26 -4.35 114.28 106.19 1s5i n THR 69 Ca 0.00 -0.86 -0.23 0.00 -2.27 0.00 0.00 64.05 60.69 1s5i n THR 69 Cb 0.00 0.59 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 1s5i n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s5i s ASP 70 N -0.83 1.76 0.17 3.42 1.11 -1.08 -2.46 116.67 118.77 1s5i s ASP 70 Ca 0.00 -0.25 0.09 0.00 0.18 0.00 0.00 52.55 52.57 1s5i s ASP 70 Cb 0.00 -0.26 -0.04 0.00 1.07 0.00 0.00 42.92 43.69 1s5i s ASP 70 CO 0.00 -0.28 -0.20 -0.36 1.18 0.00 0.00 175.17 175.51 1s5i s PHE 71 N 2.10 1.95 -0.02 4.23 0.08 -0.66 -1.09 117.98 124.58 1s5i s PHE 71 Ca 0.03 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1s5i s PHE 71 Cb -0.14 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 1s5i s PHE 71 CO -0.06 0.37 0.06 0.99 -0.10 0.00 0.00 175.22 176.49 1s5i s THR 72 N -1.91 -0.01 -0.24 0.64 2.01 0.16 -1.61 115.64 114.69 1s5i s THR 72 Ca 0.17 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1s5i s THR 72 Cb -0.07 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.33 1s5i s THR 72 CO 0.07 0.01 0.01 -0.22 -0.69 0.00 0.00 174.62 173.81 1s5i s LEU 73 N 0.18 3.21 -0.13 4.42 2.96 -0.52 -1.60 118.68 127.19 1s5i s LEU 73 Ca -0.01 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1s5i s LEU 73 Cb -0.02 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1s5i s LEU 73 CO -0.01 -0.04 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.24 1s5i s ARG 74 N 1.54 3.36 -0.32 1.98 3.52 0.02 -1.41 118.95 127.63 1s5i s ARG 74 Ca 0.06 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.87 1s5i s ARG 74 Cb -0.15 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1s5i s ARG 74 CO 0.00 0.21 0.13 0.42 -0.81 0.00 0.00 175.30 175.24 1s5i s ILE 75 N 0.36 4.25 0.18 4.11 1.01 0.36 -1.08 121.20 130.38 1s5i s ILE 75 Ca -0.11 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 1s5i s ILE 75 Cb -0.16 -3.23 0.09 0.00 0.01 0.00 0.00 42.46 39.17 1s5i s ILE 75 CO 0.06 0.00 1.71 0.77 0.00 0.00 0.00 174.94 177.48 1s5i h SER 76 N 8.30 -0.08 -2.84 3.58 4.64 -1.57 -0.18 113.55 125.39 1s5i h SER 76 Ca -0.30 0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 60.90 1s5i h SER 76 Cb 1.13 0.14 -0.32 0.00 -0.31 0.00 0.00 62.40 63.04 1s5i h SER 76 CO 0.62 -0.01 -0.52 0.00 -0.87 0.00 0.00 176.83 176.05 1s5i s ARG 77 N -6.16 0.16 0.45 4.77 1.70 -1.26 -3.03 118.95 115.58 1s5i s ARG 77 Ca -0.13 0.77 -0.21 0.00 -0.47 0.00 0.00 55.73 55.69 1s5i s ARG 77 Cb 0.15 -0.01 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 1s5i s ARG 77 CO 0.72 -0.28 0.99 0.08 -1.08 0.00 0.00 175.30 175.72 1s5i s VAL 78 N 2.41 4.14 0.27 4.99 1.01 -0.59 -4.83 120.40 127.80 1s5i s VAL 78 Ca 0.01 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.35 1s5i s VAL 78 Cb -0.12 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1s5i s VAL 78 CO -0.09 -0.28 0.12 -1.61 0.00 0.00 0.00 175.10 173.24 1s5i s GLU 79 N -3.19 1.45 0.35 2.72 2.02 -1.26 -0.80 118.70 119.99 1s5i s GLU 79 Ca 0.64 -1.80 0.05 0.00 0.02 0.00 0.00 54.97 53.88 1s5i s GLU 79 Cb -0.12 -0.16 0.65 0.00 0.10 0.00 0.00 34.13 34.60 1s5i s GLU 79 CO 0.16 -0.35 1.91 0.00 0.02 0.00 0.00 175.26 176.99 1s5i h ALA 80 N 2.36 1.43 0.00 5.21 0.00 -1.98 -2.24 119.26 124.04 1s5i h ALA 80 Ca -0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1s5i h ALA 80 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s5i h ALA 80 CO 0.57 0.41 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 1s5i n GLU 81 N -4.31 0.50 -0.16 0.00 0.28 -1.26 -2.50 120.64 113.18 1s5i n GLU 81 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.11 1s5i n GLU 81 Cb 0.21 -1.18 0.17 0.00 1.43 0.00 0.00 31.44 32.08 1s5i n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1s5i n ASP 82 N -0.68 3.09 -4.75 -1.84 8.00 -0.84 -4.97 116.55 114.55 1s5i n ASP 82 Ca 0.04 -1.90 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 1s5i n ASP 82 Cb 0.02 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 1s5i n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s5i s LEU 83 N -1.24 4.45 0.00 0.64 0.20 -1.04 -4.88 118.68 116.81 1s5i s LEU 83 Ca 0.31 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.64 1s5i s LEU 83 Cb 0.18 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.31 1s5i s LEU 83 CO 0.25 -0.46 0.00 0.61 -0.29 0.00 0.00 176.35 176.45 1s5i n GLY 84 N 1.49 -0.13 3.48 7.98 0.00 -1.25 -4.53 105.19 112.23 1s5i n GLY 84 Ca 0.02 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1s5i n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5i s VAL 85 N -2.77 3.40 -0.19 1.61 1.01 -0.52 -1.51 120.40 121.44 1s5i s VAL 85 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1s5i s VAL 85 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1s5i s VAL 85 CO 0.00 0.56 -0.03 -0.31 0.00 0.00 0.00 175.10 175.32 1s5i s TYR 86 N -0.25 3.00 0.12 5.22 1.51 0.73 -0.90 117.35 126.78 1s5i s TYR 86 Ca 0.03 -0.53 0.11 0.00 -1.01 0.00 0.00 57.07 55.66 1s5i s TYR 86 Cb -0.13 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1s5i s TYR 86 CO 0.03 -0.25 -0.26 0.71 -1.11 0.00 0.00 175.55 174.66 1s5i s TYR 87 N 0.91 2.33 -0.11 2.71 1.51 -0.31 0.21 117.35 124.61 1s5i s TYR 87 Ca 0.00 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1s5i s TYR 87 Cb -0.14 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1s5i s TYR 87 CO 0.01 0.33 -0.14 0.00 -1.11 0.00 0.00 175.55 174.65 1s5i s VAL 89 N 0.05 3.50 -0.10 0.00 1.01 0.57 -0.85 120.40 124.56 1s5i s VAL 89 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1s5i s VAL 89 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1s5i s VAL 89 CO 0.04 -0.21 -0.09 -1.58 0.00 0.00 0.00 175.10 173.27 1s5i s GLN 90 N -3.19 1.59 -0.25 2.72 -0.44 -0.52 -1.81 119.66 117.76 1s5i s GLN 90 Ca 0.28 -0.30 0.10 0.00 -2.50 0.00 0.00 55.36 52.94 1s5i s GLN 90 Cb -0.08 -1.56 0.45 0.00 -1.64 0.00 0.00 33.01 30.17 1s5i s GLN 90 CO 0.18 -0.20 1.20 0.41 0.50 0.00 0.00 175.29 177.38 1s5i n GLY 91 N 4.67 5.59 0.17 2.59 0.00 -0.48 -2.98 105.19 114.75 1s5i n GLY 91 Ca -0.15 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.62 1s5i n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s5i n THR 92 N -0.83 1.37 -4.62 2.61 -1.04 -1.26 -4.86 114.28 105.65 1s5i n THR 92 Ca 0.32 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.57 1s5i n THR 92 Cb 0.86 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 67.62 1s5i n THR 92 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1s5i s HIS 93 N -2.47 2.69 0.19 -1.42 5.04 -1.26 -5.06 115.29 113.00 1s5i s HIS 93 Ca -0.34 -1.35 -0.31 0.00 -1.54 0.00 0.00 55.06 51.53 1s5i s HIS 93 Cb 0.11 -1.83 -0.09 0.00 0.04 0.00 0.00 32.58 30.81 1s5i s HIS 93 CO 0.49 -0.62 1.42 0.12 -2.34 0.00 0.00 174.74 173.82 1s5i s PHE 94 N 0.85 3.13 0.50 3.88 2.19 -1.26 -4.05 117.98 123.22 1s5i s PHE 94 Ca -0.06 0.98 -0.13 0.00 0.33 0.00 0.00 56.93 58.05 1s5i s PHE 94 Cb -0.15 -3.76 -0.07 0.00 -1.31 0.00 0.00 43.02 37.73 1s5i s PHE 94 CO -0.03 -2.56 0.92 -1.25 1.83 0.00 0.00 175.22 174.14 1s5i s PRO 95 N 0.28 3.83 0.25 10.12 0.04 -1.26 -4.59 135.00 143.67 1s5i s PRO 95 Ca 0.62 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1s5i s PRO 95 Cb -0.40 -2.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.83 1s5i s PRO 95 CO 0.37 -0.25 1.52 0.50 0.04 0.00 0.00 177.00 179.18 1s5i s ARG 96 N -4.21 4.21 0.13 4.56 3.52 -1.26 -4.56 118.95 121.34 1s5i s ARG 96 Ca 0.56 2.41 0.05 0.00 -0.13 0.00 0.00 55.73 58.61 1s5i s ARG 96 Cb -0.10 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1s5i s ARG 96 CO 0.35 -0.53 -0.11 0.95 -0.81 0.00 0.00 175.30 175.15 1s5i s THR 97 N 0.25 1.17 0.26 4.11 -4.23 -1.16 -4.99 115.64 111.05 1s5i s THR 97 Ca 0.63 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.34 1s5i s THR 97 Cb -0.44 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1s5i s THR 97 CO 0.42 -0.64 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.40 1s5i s PHE 98 N -2.89 2.50 0.60 3.99 0.40 -1.26 -1.44 117.98 119.87 1s5i s PHE 98 Ca 0.13 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1s5i s PHE 98 Cb -0.00 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.43 1s5i s PHE 98 CO 0.01 0.65 0.92 0.20 0.70 0.00 0.00 175.22 177.71 1s5i s GLY 99 N -3.51 1.61 0.66 4.36 0.00 -0.03 -4.49 107.32 105.91 1s5i s GLY 99 Ca 0.30 -0.66 0.39 0.00 0.00 0.00 0.00 44.72 44.74 1s5i s GLY 99 CO 0.17 -0.37 2.23 -1.33 0.00 0.00 0.00 173.10 173.80 1s5i h GLY 100 N -0.23 0.00 0.00 0.20 0.00 -1.91 -3.43 103.07 97.70 1s5i h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1s5i h GLY 100 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1s5i n GLY 101 N -1.16 0.85 3.13 4.60 0.00 -1.26 -5.02 105.19 106.32 1s5i n GLY 101 Ca -0.02 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1s5i n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s5i s THR 102 N -2.00 1.86 -0.20 2.61 2.01 0.13 -4.80 115.64 115.26 1s5i s THR 102 Ca 0.00 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 1s5i s THR 102 Cb 0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1s5i s THR 102 CO 0.00 0.51 0.59 -0.75 -0.69 0.00 0.00 174.62 174.28 1s5i s LYS 103 N 0.89 4.20 -0.23 4.92 2.47 -0.69 -0.20 119.74 131.11 1s5i s LYS 103 Ca -0.07 0.55 -0.10 0.00 -1.56 0.00 0.00 55.97 54.79 1s5i s LYS 103 Cb -0.15 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1s5i s LYS 103 CO -0.02 -0.22 0.15 -1.17 0.16 0.00 0.00 175.35 174.24 1s5i s LEU 104 N 1.86 4.14 -0.03 5.43 2.96 -0.57 0.35 118.68 132.83 1s5i s LEU 104 Ca 0.27 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1s5i s LEU 104 Cb -0.16 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1s5i s LEU 104 CO 0.10 0.11 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.28 1s5i s GLU 105 N 0.81 2.17 -0.20 1.98 2.12 0.23 -3.79 118.70 122.02 1s5i s GLU 105 Ca 0.08 -0.91 -0.25 0.00 0.36 0.00 0.00 54.97 54.24 1s5i s GLU 105 Cb -0.13 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 1s5i s GLU 105 CO 0.02 0.52 0.84 0.42 -0.54 0.00 0.00 175.26 176.52 1s5i s ILE 106 N -0.52 4.86 -0.05 -3.70 -1.09 -1.26 -0.34 121.20 119.10 1s5i s ILE 106 Ca 0.07 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.81 1s5i s ILE 106 Cb -0.11 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1s5i s ILE 106 CO -0.00 -0.01 1.36 -0.75 -1.23 0.00 0.00 174.94 174.31 1s5i s LYS 107 N 2.42 4.27 0.43 2.79 2.20 0.32 -4.84 119.74 127.33 1s5i s LYS 107 Ca 0.37 1.87 0.04 0.00 -0.36 0.00 0.00 55.97 57.89 1s5i s LYS 107 Cb -0.16 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1s5i s LYS 107 CO 0.10 -0.61 0.03 0.50 -0.36 0.00 0.00 175.35 175.01 1s5i s ARG 108 N 2.78 1.99 0.12 4.03 3.52 -1.26 -4.38 118.95 125.75 1s5i s ARG 108 Ca 0.61 -2.19 -0.29 0.00 -0.13 0.00 0.00 55.73 53.74 1s5i s ARG 108 Cb -0.28 -1.38 -0.06 0.00 -1.56 0.00 0.00 34.95 31.66 1s5i s ARG 108 CO 0.23 -0.22 0.91 0.00 -0.81 0.00 0.00 175.30 175.42 1s5i s ALA 109 N -2.91 3.29 0.30 6.12 0.00 -1.26 -4.96 121.76 122.35 1s5i s ALA 109 Ca 0.24 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 1s5i s ALA 109 Cb 0.06 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 1s5i s ALA 109 CO 0.12 0.04 1.08 -0.25 0.00 0.00 0.00 175.76 176.76 1s5i n ASP 110 N 2.54 1.69 -3.80 0.00 9.92 -1.26 -4.77 116.55 120.86 1s5i n ASP 110 Ca 0.00 1.19 -0.14 0.00 -0.53 0.00 0.00 54.79 55.31 1s5i n ASP 110 Cb 0.49 -1.34 -0.15 0.00 -0.64 0.00 0.00 41.12 39.48 1s5i n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s5i s ALA 111 N -1.06 0.01 0.10 2.24 0.00 0.32 -4.88 121.76 118.49 1s5i s ALA 111 Ca 0.58 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1s5i s ALA 111 Cb -0.67 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1s5i s ALA 111 CO 0.61 -0.08 0.82 0.00 0.00 0.00 0.00 175.76 177.10 1s5i s ALA 112 N 0.76 3.36 0.53 0.00 0.00 -1.26 -1.07 121.76 124.07 1s5i s ALA 112 Ca -0.06 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1s5i s ALA 112 Cb -0.09 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1s5i s ALA 112 CO -0.02 0.12 1.23 -1.25 0.00 0.00 0.00 175.76 175.84 1s5i s PRO 113 N -0.42 3.34 -0.32 0.00 0.04 -1.26 -4.68 135.00 131.70 1s5i s PRO 113 Ca 0.40 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 63.20 1s5i s PRO 113 Cb -0.22 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1s5i s PRO 113 CO 0.26 -0.94 0.39 0.99 0.04 0.00 0.00 177.00 177.74 1s5i s THR 114 N -1.49 5.15 -0.18 1.26 2.01 -0.69 -4.88 115.64 116.81 1s5i s THR 114 Ca 0.70 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.89 1s5i s THR 114 Cb -0.32 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1s5i s THR 114 CO 0.38 -0.03 0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 1s5i s VAL 115 N 2.10 5.09 -0.01 3.82 1.01 -1.26 -1.72 120.40 129.43 1s5i s VAL 115 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1s5i s VAL 115 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1s5i s VAL 115 CO 0.11 0.48 -0.04 -0.94 0.00 0.00 0.00 175.10 174.71 1s5i s SER 116 N 0.13 0.60 -0.04 3.32 1.04 -0.62 -4.99 113.70 113.14 1s5i s SER 116 Ca 0.07 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1s5i s SER 116 Cb -0.12 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1s5i s SER 116 CO -0.00 0.02 -0.25 -0.51 0.98 0.00 0.00 173.24 173.48 1s5i s ILE 117 N 0.17 2.04 -0.13 -1.02 2.07 -1.26 -1.04 121.20 122.03 1s5i s ILE 117 Ca -0.02 -1.08 0.02 0.00 -1.41 0.00 0.00 60.65 58.16 1s5i s ILE 117 Cb -0.05 -1.71 0.01 0.00 0.13 0.00 0.00 42.46 40.84 1s5i s ILE 117 CO -0.00 0.57 -0.20 -0.36 -1.91 0.00 0.00 174.94 173.04 1s5i s PHE 118 N -0.36 2.46 0.95 3.50 0.40 0.37 -5.01 117.98 120.28 1s5i s PHE 118 Ca 0.03 -1.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.02 1s5i s PHE 118 Cb -0.12 -1.70 0.16 0.00 0.51 0.00 0.00 43.02 41.88 1s5i s PHE 118 CO 0.02 -0.57 1.09 -2.14 0.70 0.00 0.00 175.22 174.31 1s5i s PRO 119 N 0.87 0.78 0.67 0.24 0.02 -1.26 -2.25 135.00 134.07 1s5i s PRO 119 Ca -0.07 0.94 -0.16 0.00 0.02 0.00 0.00 61.00 61.73 1s5i s PRO 119 Cb -0.15 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.63 1s5i s PRO 119 CO -0.02 -2.60 1.16 -2.14 -0.33 0.00 0.00 177.00 173.07 1s5i s PRO 120 N -4.80 2.59 0.14 5.54 0.02 -1.25 -4.79 135.00 132.44 1s5i s PRO 120 Ca 0.65 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 63.06 1s5i s PRO 120 Cb -0.20 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 1s5i s PRO 120 CO 0.59 -1.46 0.69 -1.54 -0.33 0.00 0.00 177.00 174.95 1s5i s SER 121 N -2.17 7.22 0.50 2.53 1.04 -1.26 -4.93 113.70 116.64 1s5i s SER 121 Ca 0.72 1.46 0.26 0.00 0.48 0.00 0.00 55.95 58.88 1s5i s SER 121 Cb -0.26 -2.43 1.35 0.00 0.10 0.00 0.00 66.02 64.79 1s5i s SER 121 CO 0.41 0.21 1.90 0.77 0.98 0.00 0.00 173.24 177.51 1s5i h SER 122 N 4.28 0.12 -0.14 7.02 4.64 -1.99 0.12 113.55 127.59 1s5i h SER 122 Ca -0.48 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1s5i h SER 122 Cb 1.21 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1s5i h SER 122 CO 0.65 0.05 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.55 1s5i h GLU 123 N 0.12 0.39 0.10 4.77 4.81 -1.99 -2.63 114.58 120.14 1s5i h GLU 123 Ca 0.41 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 1s5i h GLU 123 Cb 1.43 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.77 1s5i h GLU 123 CO -0.05 0.44 -0.62 0.37 -0.73 0.00 0.00 179.01 178.42 1s5i h GLN 124 N 0.38 0.24 -1.03 1.92 4.15 -1.09 -3.27 115.11 116.41 1s5i h GLN 124 Ca 0.08 -0.39 0.26 0.00 0.77 0.00 0.00 58.65 59.37 1s5i h GLN 124 Cb 0.30 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 28.05 1s5i h GLN 124 CO 0.01 1.18 0.67 -0.07 -1.93 0.00 0.00 178.83 178.69 1s5i h LEU 125 N -0.49 0.40 -1.31 -2.39 3.38 -1.32 0.54 115.31 114.13 1s5i h LEU 125 Ca -0.11 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1s5i h LEU 125 Cb 1.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 1s5i h LEU 125 CO 0.12 0.09 0.54 0.74 0.09 0.00 0.00 178.44 180.01 1s5i h THR 126 N 0.36 0.94 0.00 0.22 2.02 -1.52 0.32 112.91 115.25 1s5i h THR 126 Ca 0.57 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1s5i h THR 126 Cb 1.53 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1s5i h THR 126 CO -0.25 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.23 1s5i n SER 127 N -4.52 0.00 0.00 4.18 3.41 0.19 -4.86 113.62 112.02 1s5i n SER 127 Ca 0.14 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1s5i n SER 127 Cb 0.34 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1s5i n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s5i n GLY 128 N 0.92 0.53 3.41 5.00 0.00 0.11 -5.02 105.19 110.15 1s5i n GLY 128 Ca 0.19 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1s5i n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s5i s GLY 129 N -2.65 1.68 -0.23 -0.02 0.00 -1.21 -1.25 107.32 103.64 1s5i s GLY 129 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 42.99 1s5i s GLY 129 CO 0.00 -1.77 0.23 0.00 0.00 0.00 0.00 173.10 171.57 1s5i s ALA 130 N -2.23 -0.28 -0.20 3.20 0.00 -0.10 -2.99 121.76 119.15 1s5i s ALA 130 Ca 0.23 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 1s5i s ALA 130 Cb -0.05 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1s5i s ALA 130 CO 0.11 -1.33 0.00 -1.12 0.00 0.00 0.00 175.76 173.42 1s5i s SER 131 N 2.33 4.85 -0.22 0.00 0.01 -1.26 -0.06 113.70 119.35 1s5i s SER 131 Ca 0.08 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 1s5i s SER 131 Cb -0.15 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 1s5i s SER 131 CO -0.17 0.06 0.13 -0.69 0.41 0.00 0.00 173.24 172.98 1s5i s VAL 132 N 1.04 5.24 0.04 3.43 1.01 0.32 -3.95 120.40 127.52 1s5i s VAL 132 Ca 0.02 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1s5i s VAL 132 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1s5i s VAL 132 CO 0.02 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1s5i s VAL 133 N 0.79 3.72 -0.04 2.92 1.01 -0.95 -0.41 120.40 127.44 1s5i s VAL 133 Ca 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1s5i s VAL 133 Cb -0.13 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1s5i s VAL 133 CO 0.02 0.29 0.03 0.00 0.00 0.00 0.00 175.10 175.43 1s5i s PHE 135 N 1.66 2.97 -0.50 0.00 0.08 -0.21 -1.44 117.98 120.54 1s5i s PHE 135 Ca -0.01 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.66 1s5i s PHE 135 Cb -0.13 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.51 1s5i s PHE 135 CO -0.03 -0.11 0.25 -0.51 -0.10 0.00 0.00 175.22 174.72 1s5i s LEU 136 N 0.43 4.49 0.35 -0.37 1.02 -0.81 -1.58 118.68 122.20 1s5i s LEU 136 Ca -0.05 -2.86 -0.09 0.00 0.02 0.00 0.00 54.13 51.16 1s5i s LEU 136 Cb -0.15 -1.66 -0.06 0.00 0.02 0.00 0.00 46.19 44.34 1s5i s LEU 136 CO 0.03 -0.27 0.67 0.20 0.02 0.00 0.00 176.35 177.01 1s5i s ASN 137 N 0.01 6.51 -0.35 2.29 0.01 -0.70 -1.76 114.94 120.96 1s5i s ASN 137 Ca 0.16 0.97 -0.22 0.00 -0.71 0.00 0.00 52.86 53.06 1s5i s ASN 137 Cb -0.24 -2.25 0.03 0.00 0.41 0.00 0.00 41.25 39.20 1s5i s ASN 137 CO -0.02 -0.29 0.44 0.59 -1.51 0.00 0.00 177.10 176.31 1s5i n ASN 138 N -1.05 -3.60 -4.28 -1.22 4.13 -1.04 -1.70 115.26 106.50 1s5i n ASN 138 Ca 0.01 -0.22 -0.15 0.00 1.68 0.00 0.00 54.58 55.90 1s5i n ASN 138 Cb 0.54 -1.07 -0.10 0.00 -1.54 0.00 0.00 39.78 37.60 1s5i n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1s5i s PHE 139 N -1.30 1.36 -0.27 3.10 -0.12 -0.49 -4.48 117.98 115.78 1s5i s PHE 139 Ca 0.21 -0.94 -0.25 0.00 -0.05 0.00 0.00 56.93 55.91 1s5i s PHE 139 Cb -0.02 -0.77 0.08 0.00 -0.63 0.00 0.00 43.02 41.68 1s5i s PHE 139 CO 0.60 -0.10 0.76 -0.47 -0.05 0.00 0.00 175.22 175.96 1s5i s TYR 140 N -3.51 -0.75 0.00 3.49 6.14 -0.24 -1.19 117.35 121.29 1s5i s TYR 140 Ca 0.25 1.83 0.00 0.00 0.64 0.00 0.00 57.07 59.78 1s5i s TYR 140 Cb 0.05 0.29 0.00 0.00 0.42 0.00 0.00 41.96 42.72 1s5i s TYR 140 CO 0.05 -0.36 0.00 -0.35 0.64 0.00 0.00 175.55 175.53 1s5i n PRO 141 N 2.64 -1.06 0.17 4.97 -0.04 -1.26 -0.52 135.00 139.90 1s5i n PRO 141 Ca -0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1s5i n PRO 141 Cb 0.55 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.35 1s5i n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1s5i h LYS 142 N 0.00 0.00 -5.50 0.54 3.64 -1.99 -3.44 116.57 109.82 1s5i h LYS 142 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1s5i h LYS 142 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1s5i h LYS 142 CO 0.00 0.00 1.03 -0.25 -2.27 0.00 0.00 179.45 177.96 1s5i n ASP 143 N -2.70 2.10 -3.93 4.20 10.43 -1.26 -4.90 116.55 120.48 1s5i n ASP 143 Ca 0.04 -0.88 -0.16 0.00 2.57 0.00 0.00 54.79 56.36 1s5i n ASP 143 Cb 0.45 -1.61 -0.15 0.00 1.84 0.00 0.00 41.12 41.65 1s5i n ASP 143 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1s5i s ILE 144 N 13.20 0.33 -0.15 0.53 1.10 -1.26 -4.41 121.20 130.54 1s5i s ILE 144 Ca 0.97 -0.15 0.00 0.00 -0.51 0.00 0.00 60.65 60.96 1s5i s ILE 144 Cb -0.17 -0.30 0.02 0.00 0.15 0.00 0.00 42.46 42.16 1s5i s ILE 144 CO 0.20 0.11 -0.14 0.21 -2.11 0.00 0.00 174.94 173.21 1s5i s ASN 145 N 0.07 2.71 0.02 4.50 3.84 -0.90 -5.01 114.94 120.18 1s5i s ASN 145 Ca -0.00 -0.50 0.01 0.00 0.21 0.00 0.00 52.86 52.57 1s5i s ASN 145 Cb -0.04 -1.18 -0.04 0.00 -0.55 0.00 0.00 41.25 39.45 1s5i s ASN 145 CO -0.00 -0.06 0.07 -0.69 -2.79 0.00 0.00 177.10 173.63 1s5i s VAL 146 N 1.48 4.59 -0.11 -5.21 1.01 -1.26 -1.03 120.40 119.88 1s5i s VAL 146 Ca 0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1s5i s VAL 146 Cb -0.13 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1s5i s VAL 146 CO -0.11 0.28 0.28 -0.75 0.00 0.00 0.00 175.10 174.80 1s5i s LYS 147 N -1.93 0.27 0.07 2.72 2.20 0.51 -4.99 119.74 118.59 1s5i s LYS 147 Ca 0.25 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.38 1s5i s LYS 147 Cb -0.12 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1s5i s LYS 147 CO 0.16 -0.12 0.19 -1.58 -0.36 0.00 0.00 175.35 173.64 1s5i s TRP 148 N 0.88 3.44 -0.06 4.03 0.52 -1.26 -0.82 118.94 125.68 1s5i s TRP 148 Ca -0.06 0.20 -0.02 0.00 0.02 0.00 0.00 56.10 56.24 1s5i s TRP 148 Cb -0.07 -1.72 0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1s5i s TRP 148 CO -0.06 0.57 0.10 0.15 0.02 0.00 0.00 176.95 177.73 1s5i s LYS 149 N -2.54 -0.02 -0.25 4.98 1.02 -0.45 -2.33 119.74 120.15 1s5i s LYS 149 Ca 0.34 0.42 -0.04 0.00 0.02 0.00 0.00 55.97 56.71 1s5i s LYS 149 Cb -0.13 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.82 1s5i s LYS 149 CO 0.27 -0.29 -0.01 0.42 -0.92 0.00 0.00 175.35 174.82 1s5i s ILE 150 N 1.99 3.42 -1.32 2.17 1.01 -0.67 -0.40 121.20 127.40 1s5i s ILE 150 Ca 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1s5i s ILE 150 Cb -0.12 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1s5i s ILE 150 CO -0.04 0.28 0.85 0.47 0.00 0.00 0.00 174.94 176.50 1s5i n ASP 151 N 4.79 -2.38 0.00 3.58 8.00 0.17 -2.53 116.55 128.18 1s5i n ASP 151 Ca -0.17 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1s5i n ASP 151 Cb 0.49 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 1s5i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5i n GLY 152 N -1.54 2.63 3.79 0.44 0.00 -1.26 -4.99 105.19 104.26 1s5i n GLY 152 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1s5i n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5i s SER 153 N -0.79 6.41 0.41 1.61 1.04 -1.05 -4.98 113.70 116.34 1s5i s SER 153 Ca 0.00 0.48 -0.26 0.00 0.48 0.00 0.00 55.95 56.64 1s5i s SER 153 Cb 0.00 -2.13 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 1s5i s SER 153 CO 0.00 0.24 1.36 -0.70 0.98 0.00 0.00 173.24 175.12 1s5i s GLU 154 N -0.19 3.94 -0.08 4.02 2.12 -1.26 -1.67 118.70 125.59 1s5i s GLU 154 Ca 0.15 2.29 0.01 0.00 0.36 0.00 0.00 54.97 57.78 1s5i s GLU 154 Cb -0.13 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.49 1s5i s GLU 154 CO 0.03 -0.56 -0.10 0.50 -0.54 0.00 0.00 175.26 174.60 1s5i s ARG 155 N -2.24 1.55 -0.12 4.30 3.52 -0.98 -4.90 118.95 120.09 1s5i s ARG 155 Ca 0.57 -0.33 0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1s5i s ARG 155 Cb -0.41 -1.40 -0.14 0.00 -1.56 0.00 0.00 34.95 31.44 1s5i s ARG 155 CO 0.53 -0.07 0.02 1.04 -0.81 0.00 0.00 175.30 176.01 1s5i n GLN 156 N 4.18 1.90 -2.80 5.12 6.02 -1.26 -4.32 117.38 126.21 1s5i n GLN 156 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.43 1s5i n GLN 156 Cb 0.51 -1.30 -0.07 0.00 1.02 0.00 0.00 30.24 30.40 1s5i n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5i s ASN 157 N -4.55 7.24 0.00 1.08 4.22 -1.26 -4.04 114.94 117.63 1s5i s ASN 157 Ca -0.07 1.79 0.00 0.00 -2.14 0.00 0.00 52.86 52.44 1s5i s ASN 157 Cb 0.04 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 40.00 1s5i s ASN 157 CO 0.47 -0.13 0.00 0.61 -2.04 0.00 0.00 177.10 176.01 1s5i n GLY 158 N 0.30 0.70 3.53 0.45 0.00 -1.26 -4.89 105.19 104.01 1s5i n GLY 158 Ca 0.03 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1s5i n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5i s VAL 159 N -2.00 3.91 -0.22 1.61 1.01 -1.26 -1.24 120.40 122.21 1s5i s VAL 159 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1s5i s VAL 159 Cb 0.00 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1s5i s VAL 159 CO 0.00 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.74 1s5i s LEU 160 N 0.06 2.68 0.00 3.92 1.43 -0.50 -4.96 118.68 121.30 1s5i s LEU 160 Ca -0.00 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1s5i s LEU 160 Cb -0.13 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1s5i s LEU 160 CO 0.03 -0.14 0.09 0.20 0.23 0.00 0.00 176.35 176.76 1s5i s ASN 161 N 1.27 5.76 -0.12 2.29 0.01 -1.26 -1.57 114.94 121.33 1s5i s ASN 161 Ca -0.03 0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.23 1s5i s ASN 161 Cb -0.17 -1.67 0.06 0.00 0.41 0.00 0.00 41.25 39.88 1s5i s ASN 161 CO -0.08 0.26 0.25 -0.55 -1.51 0.00 0.00 177.10 175.47 1s5i s SER 162 N -1.80 0.24 0.20 -1.22 0.15 0.18 -4.96 113.70 106.48 1s5i s SER 162 Ca 0.24 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.48 1s5i s SER 162 Cb -0.12 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1s5i s SER 162 CO 0.15 -0.22 0.31 0.26 1.20 0.00 0.00 173.24 174.94 1s5i s TRP 163 N 2.12 3.43 0.37 3.44 0.51 -1.26 -0.36 118.94 127.18 1s5i s TRP 163 Ca -0.01 0.03 0.08 0.00 -2.12 0.00 0.00 56.10 54.07 1s5i s TRP 163 Cb -0.12 -1.59 -0.04 0.00 -0.81 0.00 0.00 33.47 30.92 1s5i s TRP 163 CO -0.08 0.48 0.24 0.95 -0.51 0.00 0.00 176.95 178.02 1s5i s THR 164 N -1.89 2.93 0.63 2.01 -4.23 -0.68 -5.00 115.64 109.42 1s5i s THR 164 Ca 0.34 -1.54 -0.15 0.00 -1.18 0.00 0.00 61.69 59.16 1s5i s THR 164 Cb -0.10 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1s5i s THR 164 CO 0.28 -0.11 1.07 -1.81 -0.54 0.00 0.00 174.62 173.52 1s5i s ASP 165 N -3.95 5.49 0.19 3.99 -0.00 -1.26 -4.63 116.67 116.50 1s5i s ASP 165 Ca 0.41 1.83 -0.33 0.00 -0.00 0.00 0.00 52.55 54.47 1s5i s ASP 165 Cb -0.02 -2.53 -0.14 0.00 -0.00 0.00 0.00 42.92 40.23 1s5i s ASP 165 CO 0.25 -1.37 1.45 1.67 -0.00 0.00 0.00 175.17 177.17 1s5i n GLN 166 N -2.36 1.94 -2.00 8.23 7.27 -1.26 -4.82 117.38 124.37 1s5i n GLN 166 Ca 0.09 0.70 -0.43 0.00 0.07 0.00 0.00 57.00 57.43 1s5i n GLN 166 Cb 0.53 -2.39 -0.03 0.00 2.41 0.00 0.00 30.24 30.77 1s5i n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1s5i s ASP 167 N 0.53 6.31 0.00 1.69 -1.08 0.10 -4.86 116.67 119.36 1s5i s ASP 167 Ca 0.74 1.81 0.08 0.00 -0.52 0.00 0.00 52.55 54.66 1s5i s ASP 167 Cb -0.70 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 38.57 1s5i s ASP 167 CO 0.45 -1.29 1.23 -0.24 0.52 0.00 0.00 175.17 175.84 1s5i n SER 168 N 8.60 0.00 -0.11 -0.34 2.88 -1.26 0.65 113.62 124.04 1s5i n SER 168 Ca 0.20 0.45 -0.23 0.00 -1.33 0.00 0.00 58.87 57.96 1s5i n SER 168 Cb 0.45 -0.47 -0.11 0.00 -0.75 0.00 0.00 64.21 63.32 1s5i n SER 168 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1s5i n LYS 169 N -1.47 0.58 0.00 -1.46 5.02 -1.26 -4.67 118.16 114.90 1s5i n LYS 169 Ca 0.02 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1s5i n LYS 169 Cb 0.09 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1s5i n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1s5i n ASP 170 N -4.34 1.12 -1.76 4.39 5.75 -1.19 -5.02 116.55 115.50 1s5i n ASP 170 Ca -0.37 -1.14 -0.15 0.00 -0.01 0.00 0.00 54.79 53.12 1s5i n ASP 170 Cb 0.74 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.83 1s5i n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1s5i n SER 171 N -0.07 -4.64 -4.89 -1.12 7.64 0.21 -4.99 113.62 105.76 1s5i n SER 171 Ca 0.00 -0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 1s5i n SER 171 Cb 0.04 -3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.46 1s5i n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s5i s THR 172 N -2.77 1.86 0.28 0.44 -4.23 -1.25 -4.71 115.64 105.25 1s5i s THR 172 Ca 0.00 -1.47 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1s5i s THR 172 Cb -0.00 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1s5i s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.63 1s5i s TYR 173 N -2.71 2.16 0.02 3.99 1.51 -0.33 -0.72 117.35 121.25 1s5i s TYR 173 Ca 0.37 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1s5i s TYR 173 Cb -0.02 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1s5i s TYR 173 CO 0.23 0.56 -0.03 -1.12 -1.11 0.00 0.00 175.55 174.07 1s5i s SER 174 N -3.49 0.35 0.05 2.29 0.01 -1.26 -1.40 113.70 110.26 1s5i s SER 174 Ca 0.29 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.28 1s5i s SER 174 Cb -0.01 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1s5i s SER 174 CO 0.13 -0.15 -0.13 -0.32 0.41 0.00 0.00 173.24 173.19 1s5i s MET 175 N -0.90 0.79 -0.11 12.44 0.00 -0.72 -1.69 119.30 129.12 1s5i s MET 175 Ca -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 55.69 54.82 1s5i s MET 175 Cb -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 34.83 34.01 1s5i s MET 175 CO -0.00 0.18 -0.19 0.45 0.00 0.00 0.00 175.02 175.45 1s5i s SER 176 N -1.43 2.72 -0.18 1.11 0.15 0.52 -1.93 113.70 114.65 1s5i s SER 176 Ca -0.02 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1s5i s SER 176 Cb -0.09 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1s5i s SER 176 CO 0.02 0.09 -0.13 -0.55 1.20 0.00 0.00 173.24 173.86 1s5i s SER 177 N 0.66 3.15 -0.18 5.45 0.15 -0.52 -0.65 113.70 121.76 1s5i s SER 177 Ca -0.12 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 55.79 1s5i s SER 177 Cb -0.16 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1s5i s SER 177 CO 0.03 -0.10 -0.14 -0.89 1.20 0.00 0.00 173.24 173.35 1s5i s THR 178 N 1.40 2.67 -0.38 6.45 2.01 -0.61 -0.86 115.64 126.31 1s5i s THR 178 Ca 0.02 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1s5i s THR 178 Cb -0.15 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.24 1s5i s THR 178 CO -0.10 0.50 0.22 -0.22 -0.69 0.00 0.00 174.62 174.34 1s5i s LEU 179 N 1.16 4.82 -0.21 4.42 2.96 0.45 -1.41 118.68 130.87 1s5i s LEU 179 Ca 0.01 -1.04 -0.09 0.00 -0.22 0.00 0.00 54.13 52.78 1s5i s LEU 179 Cb -0.14 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1s5i s LEU 179 CO -0.05 -0.41 0.12 -0.89 -1.32 0.00 0.00 176.35 173.79 1s5i s THR 180 N 1.56 5.21 0.33 3.68 2.01 -0.38 -0.53 115.64 127.52 1s5i s THR 180 Ca 0.02 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1s5i s THR 180 Cb -0.20 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1s5i s THR 180 CO 0.07 0.41 0.06 -0.76 -0.69 0.00 0.00 174.62 173.71 1s5i s LEU 181 N 0.62 2.17 0.71 4.42 1.43 0.92 -4.80 118.68 124.14 1s5i s LEU 181 Ca 0.07 -1.40 -0.07 0.00 -1.03 0.00 0.00 54.13 51.70 1s5i s LEU 181 Cb -0.12 -0.37 0.06 0.00 0.03 0.00 0.00 46.19 45.79 1s5i s LEU 181 CO 0.01 -0.63 1.02 0.42 0.23 0.00 0.00 176.35 177.39 1s5i s THR 182 N -3.28 2.31 0.14 5.49 -4.23 -1.26 -0.93 115.64 113.88 1s5i s THR 182 Ca 0.35 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.44 1s5i s THR 182 Cb 0.08 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1s5i s THR 182 CO 0.15 -0.02 1.76 0.50 -0.54 0.00 0.00 174.62 176.48 1s5i h LYS 183 N -0.61 0.27 0.38 3.99 1.63 -1.43 -2.52 116.57 118.29 1s5i h LYS 183 Ca -0.44 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.32 1s5i h LYS 183 Cb 1.31 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1s5i h LYS 183 CO 0.61 0.18 -0.18 -0.44 -3.45 0.00 0.00 179.45 176.17 1s5i h ASP 184 N 0.28 -0.43 -0.91 4.20 3.32 -1.93 -2.59 116.42 118.37 1s5i h ASP 184 Ca 0.13 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1s5i h ASP 184 Cb 0.06 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1s5i h ASP 184 CO -0.10 -0.28 0.60 -0.08 -1.72 0.00 0.00 179.24 177.66 1s5i h GLU 185 N -0.54 1.09 -0.94 3.56 4.57 -1.94 -1.78 114.58 118.60 1s5i h GLU 185 Ca -0.05 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1s5i h GLU 185 Cb 0.41 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 1s5i h GLU 185 CO 0.08 0.72 0.62 -0.92 -1.18 0.00 0.00 179.01 178.34 1s5i h TYR 186 N 1.13 1.18 0.00 0.92 3.20 -1.34 -1.87 116.97 120.19 1s5i h TYR 186 Ca 0.36 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1s5i h TYR 186 Cb 0.04 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1s5i h TYR 186 CO -0.00 0.75 0.00 0.39 -1.64 0.00 0.00 178.16 177.66 1s5i n GLU 187 N -4.43 0.54 0.02 1.82 1.02 -0.70 -2.98 120.64 115.93 1s5i n GLU 187 Ca 0.11 0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1s5i n GLU 187 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1s5i n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s5i n ARG 188 N -1.18 0.23 -4.43 3.49 1.74 -0.71 -4.94 116.66 110.86 1s5i n ARG 188 Ca 0.15 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.98 1s5i n ARG 188 Cb 0.16 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1s5i n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1s5i s HIS 189 N -3.16 2.18 0.00 -1.55 3.76 -1.16 -5.08 115.29 110.28 1s5i s HIS 189 Ca 0.04 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1s5i s HIS 189 Cb 0.15 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1s5i s HIS 189 CO 0.81 0.60 0.00 -1.71 -0.85 0.00 0.00 174.74 173.59 1s5i n ASN 190 N -0.35 4.49 -4.37 1.40 2.85 -1.26 -4.78 115.26 113.24 1s5i n ASN 190 Ca -0.07 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.00 1s5i n ASN 190 Cb 0.59 0.53 -0.11 0.00 1.24 0.00 0.00 39.78 42.03 1s5i n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1s5i s SER 191 N -2.61 5.66 -0.21 1.20 0.15 -1.26 -0.25 113.70 116.38 1s5i s SER 191 Ca 0.00 -0.97 -0.05 0.00 0.70 0.00 0.00 55.95 55.63 1s5i s SER 191 Cb 0.00 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1s5i s SER 191 CO 0.00 -0.36 0.01 -0.31 1.20 0.00 0.00 173.24 173.78 1s5i s TYR 192 N 1.54 3.05 -0.03 3.44 1.51 -0.61 0.44 117.35 126.69 1s5i s TYR 192 Ca 0.02 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1s5i s TYR 192 Cb -0.19 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1s5i s TYR 192 CO 0.06 -0.25 -0.16 0.99 -1.11 0.00 0.00 175.55 175.09 1s5i s THR 193 N 1.07 1.31 -0.23 -0.71 2.01 0.46 -1.43 115.64 118.13 1s5i s THR 193 Ca 0.02 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1s5i s THR 193 Cb -0.14 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1s5i s THR 193 CO 0.02 0.38 -0.03 0.00 -0.69 0.00 0.00 174.62 174.30 1s5i s GLU 195 N 1.49 2.76 -0.03 0.00 2.12 0.00 -1.47 118.70 123.58 1s5i s GLU 195 Ca 0.06 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 54.57 1s5i s GLU 195 Cb -0.15 -2.18 -0.01 0.00 0.26 0.00 0.00 34.13 32.06 1s5i s GLU 195 CO -0.02 0.24 -0.15 0.00 -0.54 0.00 0.00 175.26 174.79 1s5i s ALA 196 N 0.17 1.28 -0.16 6.30 0.00 -0.34 -0.37 121.76 128.64 1s5i s ALA 196 Ca -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1s5i s ALA 196 Cb -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1s5i s ALA 196 CO 0.07 0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.90 1s5i s THR 197 N -0.09 2.36 0.04 0.00 2.01 -0.19 -0.45 115.64 119.31 1s5i s THR 197 Ca 0.00 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 1s5i s THR 197 Cb -0.09 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1s5i s THR 197 CO 0.01 0.52 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.15 1s5i s HIS 198 N 1.03 0.44 0.57 4.92 2.46 -1.26 -2.12 115.29 121.32 1s5i s HIS 198 Ca -0.02 -0.82 0.30 0.00 0.47 0.00 0.00 55.06 55.00 1s5i s HIS 198 Cb -0.15 -0.32 1.44 0.00 -0.13 0.00 0.00 32.58 33.43 1s5i s HIS 198 CO -0.05 -0.28 1.83 -0.22 -2.47 0.00 0.00 174.74 173.56 1s5i h LYS 199 N 3.80 0.00 0.00 2.88 3.64 -1.94 -2.14 116.57 122.81 1s5i h LYS 199 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1s5i h LYS 199 Cb 1.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1s5i h LYS 199 CO 0.55 0.00 -0.05 1.79 -2.27 0.00 0.00 179.45 179.46 1s5i h THR 200 N 0.00 0.30 -3.93 1.00 1.35 -1.89 -3.44 112.91 106.29 1s5i h THR 200 Ca 0.34 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1s5i h THR 200 Cb 1.62 1.25 -0.19 0.00 -1.73 0.00 0.00 68.15 69.10 1s5i h THR 200 CO -0.00 0.05 -0.62 -0.94 -0.25 0.00 0.00 175.52 173.76 1s5i s SER 201 N -5.79 0.25 0.11 5.36 1.04 -0.81 -4.98 113.70 108.88 1s5i s SER 201 Ca -0.03 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 55.74 1s5i s SER 201 Cb 0.12 0.17 -0.14 0.00 0.10 0.00 0.00 66.02 66.27 1s5i s SER 201 CO 0.52 -0.43 1.27 0.71 0.98 0.00 0.00 173.24 176.29 1s5i h THR 202 N 4.02 1.34 -3.49 2.02 1.35 -1.87 -3.42 112.91 112.86 1s5i h THR 202 Ca -0.32 -2.32 -0.68 0.00 -0.55 0.00 0.00 66.41 62.53 1s5i h THR 202 Cb 1.19 2.36 -0.16 0.00 -1.73 0.00 0.00 68.15 69.80 1s5i h THR 202 CO 0.49 0.71 -0.66 -0.55 -0.25 0.00 0.00 175.52 175.25 1s5i s SER 203 N -7.16 4.92 0.76 5.36 0.15 -1.26 -5.07 113.70 111.40 1s5i s SER 203 Ca -0.08 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1s5i s SER 203 Cb 0.08 -1.28 0.05 0.00 -1.71 0.00 0.00 66.02 63.16 1s5i s SER 203 CO 0.89 0.34 1.23 -2.16 1.20 0.00 0.00 173.24 174.74 1s5i s PRO 204 N -1.06 1.94 -0.15 5.44 0.04 -1.26 -4.94 135.00 135.01 1s5i s PRO 204 Ca 0.15 1.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1s5i s PRO 204 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1s5i s PRO 204 CO 0.04 -2.01 0.54 0.42 0.04 0.00 0.00 177.00 176.03 1s5i s ILE 205 N -1.93 5.12 -0.01 0.56 1.01 0.41 -4.91 121.20 121.44 1s5i s ILE 205 Ca 0.76 1.05 0.07 0.00 0.00 0.00 0.00 60.65 62.53 1s5i s ILE 205 Cb -0.31 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1s5i s ILE 205 CO 0.47 0.24 -0.23 -0.69 0.00 0.00 0.00 174.94 174.73 1s5i s VAL 206 N 1.14 2.29 -0.04 2.92 1.01 -1.26 -1.20 120.40 125.24 1s5i s VAL 206 Ca 0.27 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1s5i s VAL 206 Cb -0.16 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1s5i s VAL 206 CO 0.11 0.54 0.09 -0.54 0.00 0.00 0.00 175.10 175.30 1s5i s LYS 207 N -0.76 0.02 0.35 2.72 -0.14 -0.54 -5.02 119.74 116.39 1s5i s LYS 207 Ca 0.11 0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.95 1s5i s LYS 207 Cb -0.10 -0.22 0.01 0.00 -1.68 0.00 0.00 37.83 35.84 1s5i s LYS 207 CO -0.00 -0.17 0.54 -1.54 -0.76 0.00 0.00 175.35 173.42 1s5i s SER 208 N 1.14 0.75 0.14 2.83 1.04 -1.26 -0.14 113.70 118.21 1s5i s SER 208 Ca -0.09 -1.42 -0.23 0.00 0.48 0.00 0.00 55.95 54.69 1s5i s SER 208 Cb -0.12 0.71 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1s5i s SER 208 CO -0.04 -1.38 0.59 0.72 0.98 0.00 0.00 173.24 174.10 1s5i s PHE 209 N -2.89 -0.52 -0.17 5.02 -0.12 -0.51 -5.00 117.98 113.79 1s5i s PHE 209 Ca 0.27 0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 57.45 1s5i s PHE 209 Cb -0.01 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1s5i s PHE 209 CO 0.19 -0.82 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.73 1s5i s ASN 210 N -2.64 4.94 0.41 1.98 0.01 -1.26 -1.58 114.94 116.81 1s5i s ASN 210 Ca 0.00 -0.12 0.13 0.00 -0.71 0.00 0.00 52.86 52.17 1s5i s ASN 210 Cb -0.01 -1.83 0.98 0.00 0.41 0.00 0.00 41.25 40.80 1s5i s ASN 210 CO -0.11 0.14 1.93 -0.09 -1.51 0.00 0.00 177.10 177.46 1s5i h ARG 211 N 6.93 0.48 0.00 -0.60 2.43 -0.93 -2.23 114.38 120.47 1s5i h ARG 211 Ca -0.33 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1s5i h ARG 211 Cb 1.18 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1s5i h ARG 211 CO 0.63 0.32 0.00 -2.95 -1.51 0.00 0.00 179.97 176.46 1s5i h ASN 212 N 0.49 0.00 -0.03 -3.80 -1.07 -1.92 -3.31 115.58 105.94 1s5i h ASN 212 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1s5i h ASN 212 Cb 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 1s5i h ASN 212 CO -0.12 0.00 0.00 -0.62 0.07 0.00 0.00 177.43 176.76 1s5i n GLU 213 N -2.65 1.21 0.00 4.14 1.02 -0.84 -5.27 120.64 118.25 1s5i n GLU 213 Ca 0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1s5i n GLU 213 Cb 0.39 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1s5i n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31