#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5t n VAL 3 N 0.00-10.78 -2.69 3.15 0.31 -1.26 -4.92 118.33 102.14 1r5t n VAL 3 Ca 0.00 2.36 -0.36 0.00 -0.01 0.00 0.00 64.34 66.33 1r5t n VAL 3 Cb 0.00 -5.66 -0.06 0.00 -0.91 0.00 0.00 33.84 27.22 1r5t n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1r5t s GLY 4 N -0.53 2.73 0.00 2.92 0.00 -1.26 -3.55 107.32 107.64 1r5t s GLY 4 Ca -0.18 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1r5t s GLY 4 CO 0.49 1.00 0.00 0.61 0.00 0.00 0.00 173.10 175.20 1r5t n GLY 5 N 0.33 0.66 2.76 0.20 0.00 -1.26 -5.04 105.19 102.85 1r5t n GLY 5 Ca 0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1r5t n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r5t s ILE 6 N -2.00 0.34 0.66 -0.61 1.01 -1.23 -5.09 121.20 114.29 1r5t s ILE 6 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 1r5t s ILE 6 Cb 0.00 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1r5t s ILE 6 CO 0.00 0.25 1.11 -0.62 0.00 0.00 0.00 174.94 175.68 1r5t n GLU 7 N 5.16 0.84 -0.28 2.79 1.02 -1.26 -4.80 120.64 124.11 1r5t n GLU 7 Ca -0.07 0.34 -0.02 0.00 -0.02 0.00 0.00 57.16 57.39 1r5t n GLU 7 Cb 0.50 -2.34 0.16 0.00 -0.02 0.00 0.00 31.44 29.75 1r5t n GLU 7 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1r5t h ASP 8 N 0.22 1.00 -0.50 1.62 3.32 -1.96 -1.73 116.42 118.39 1r5t h ASP 8 Ca -0.49 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 1r5t h ASP 8 Cb 1.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1r5t h ASP 8 CO 0.50 0.77 0.16 0.08 -1.72 0.00 0.00 179.24 179.03 1r5t h ARG 9 N 1.14 0.78 -0.33 3.56 0.11 -1.99 -1.07 114.38 116.58 1r5t h ARG 9 Ca 0.30 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 1r5t h ARG 9 Cb -0.04 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 30.91 1r5t h ARG 9 CO -0.05 0.72 0.17 1.96 0.10 0.00 0.00 179.97 182.87 1r5t h GLN 10 N 0.68 0.47 -0.78 0.08 4.20 -1.83 -0.32 115.11 117.60 1r5t h GLN 10 Ca 0.16 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1r5t h GLN 10 Cb 0.27 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1r5t h GLN 10 CO -0.01 0.42 0.34 1.25 -0.67 0.00 0.00 178.83 180.16 1r5t h LEU 11 N 0.41 1.05 -0.45 1.46 5.85 -1.20 0.20 115.31 122.62 1r5t h LEU 11 Ca 0.12 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1r5t h LEU 11 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1r5t h LEU 11 CO -0.02 0.92 0.17 -0.33 -0.34 0.00 0.00 178.44 178.84 1r5t h GLU 12 N 1.13 0.68 -0.36 1.25 5.08 -0.88 -1.75 114.58 119.73 1r5t h GLU 12 Ca 0.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1r5t h GLU 12 Cb 0.18 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1r5t h GLU 12 CO -0.03 0.63 0.18 0.00 -1.00 0.00 0.00 179.01 178.80 1r5t h ALA 13 N 1.02 0.47 -0.53 3.43 0.00 -0.53 -2.06 119.26 121.05 1r5t h ALA 13 Ca 0.15 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1r5t h ALA 13 Cb 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1r5t h ALA 13 CO -0.01 0.02 0.25 -0.07 0.00 0.00 0.00 179.25 179.44 1r5t h LEU 14 N 0.45 0.33 -0.90 0.00 3.38 -0.38 -0.04 115.31 118.15 1r5t h LEU 14 Ca 0.13 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1r5t h LEU 14 Cb 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1r5t h LEU 14 CO -0.02 0.22 0.22 0.11 0.09 0.00 0.00 178.44 179.06 1r5t h LYS 15 N 0.48 1.03 -0.57 1.13 1.57 -1.13 -0.85 116.57 118.22 1r5t h LYS 15 Ca 0.24 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1r5t h LYS 15 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1r5t h LYS 15 CO -0.20 0.87 0.09 0.00 -0.57 0.00 0.00 179.45 179.65 1r5t h ARG 16 N 0.99 0.95 -0.72 3.15 2.47 -0.78 -2.25 114.38 118.19 1r5t h ARG 16 Ca 0.22 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 1r5t h ARG 16 Cb 0.27 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1r5t h ARG 16 CO -0.01 0.91 0.27 0.00 0.56 0.00 0.00 179.97 181.70 1r5t h ALA 17 N 1.00 1.12 -0.42 0.04 0.00 -0.50 -2.22 119.26 118.28 1r5t h ALA 17 Ca 0.17 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1r5t h ALA 17 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1r5t h ALA 17 CO 0.01 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 1r5t h ALA 18 N 1.24 0.57 -0.57 0.00 0.00 -0.94 -0.09 119.26 119.48 1r5t h ALA 18 Ca 0.24 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1r5t h ALA 18 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1r5t h ALA 18 CO -0.02 0.45 0.16 -0.07 0.00 0.00 0.00 179.25 179.77 1r5t h LEU 19 N 0.62 0.84 -0.86 0.00 3.38 -1.28 -2.89 115.31 115.12 1r5t h LEU 19 Ca 0.10 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1r5t h LEU 19 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r5t h LEU 19 CO 0.04 0.84 -0.55 0.50 0.09 0.00 0.00 178.44 179.37 1r5t h LYS 20 N 0.80 0.00 -0.12 1.13 3.64 -1.33 -3.07 116.57 117.63 1r5t h LYS 20 Ca 0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1r5t h LYS 20 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1r5t h LYS 20 CO -0.00 0.55 0.04 0.00 -2.27 0.00 0.00 179.45 177.76 1r5t h ALA 21 N 1.45 1.85 -0.54 5.00 0.00 -0.79 -2.29 119.26 123.95 1r5t h ALA 21 Ca -0.01 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1r5t h ALA 21 Cb 1.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1r5t h ALA 21 CO 0.07 0.12 0.47 0.00 0.00 0.00 0.00 179.25 179.92 1r5t h GLU 23 N 0.00 0.00 -0.00 0.00 5.08 -1.62 -2.08 114.58 115.95 1r5t h GLU 23 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1r5t h GLU 23 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r5t h GLU 23 CO -0.00 0.00 -0.17 1.28 -1.00 0.00 0.00 179.01 179.12 1r5t n LEU 24 N -2.95 0.66 -4.78 1.33 7.99 0.01 -4.93 117.00 114.32 1r5t n LEU 24 Ca -0.01 -0.08 -0.41 0.00 -0.01 0.00 0.00 56.01 55.51 1r5t n LEU 24 Cb 0.21 -0.17 -0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1r5t n LEU 24 CO 0.23 0.12 1.15 -0.24 -1.51 0.00 0.00 177.39 177.14 1r5t n SER 25 N -0.87 3.84 -4.04 -1.43 2.88 -0.79 -4.86 113.62 108.36 1r5t n SER 25 Ca 0.13 1.23 -0.32 0.00 -1.33 0.00 0.00 58.87 58.58 1r5t n SER 25 Cb 0.30 -1.63 -0.14 0.00 -0.75 0.00 0.00 64.21 62.00 1r5t n SER 25 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1r5t s TYR 26 N -1.07 3.64 -0.38 0.66 5.04 -0.59 -4.99 117.35 119.66 1r5t s TYR 26 Ca 0.54 -2.88 0.11 0.00 -2.44 0.00 0.00 57.07 52.39 1r5t s TYR 26 Cb -0.47 -3.00 0.33 0.00 0.35 0.00 0.00 41.96 39.17 1r5t s TYR 26 CO 0.63 -0.92 0.72 -1.13 -1.34 0.00 0.00 175.55 173.50 1r5t n SER 27 N 4.14 0.49 0.00 4.32 3.41 -1.26 -0.45 113.62 124.27 1r5t n SER 27 Ca 0.03 -2.99 0.09 0.00 -0.26 0.00 0.00 58.87 55.73 1r5t n SER 27 Cb 0.40 -0.46 0.46 0.00 -0.26 0.00 0.00 64.21 64.35 1r5t n SER 27 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1r5t n PRO 28 N 0.50 0.25 -0.12 4.33 -0.04 -1.26 -0.65 135.00 138.01 1r5t n PRO 28 Ca 0.23 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 1r5t n PRO 28 Cb 0.64 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 1r5t n PRO 28 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r5t n TYR 29 N -1.29 0.15 -0.05 0.54 4.02 -1.26 -4.64 117.16 114.62 1r5t n TYR 29 Ca 0.08 0.05 0.01 0.00 -0.01 0.00 0.00 57.90 58.03 1r5t n TYR 29 Cb 0.15 -1.02 -0.16 0.00 -0.02 0.00 0.00 39.34 38.29 1r5t n TYR 29 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1r5t n SER 30 N -3.80 0.24 -0.20 7.72 3.41 -1.24 -4.96 113.62 114.79 1r5t n SER 30 Ca -0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.10 1r5t n SER 30 Cb 0.93 1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 66.34 1r5t n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1r5t n HIS 31 N -2.46 0.00 -3.36 7.33 8.25 0.17 -4.95 115.22 120.19 1r5t n HIS 31 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 1r5t n HIS 31 Cb 0.83 -1.50 -0.09 0.00 1.12 0.00 0.00 29.99 30.35 1r5t n HIS 31 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1r5t s PHE 32 N -1.58 3.19 -0.02 4.41 5.36 -1.26 -5.04 117.98 123.04 1r5t s PHE 32 Ca 0.00 -0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 55.51 1r5t s PHE 32 Cb 0.00 -2.79 -0.05 0.00 -0.34 0.00 0.00 43.02 39.83 1r5t s PHE 32 CO 0.00 -0.62 0.36 1.03 -1.46 0.00 0.00 175.22 174.53 1r5t s ARG 33 N 2.04 3.82 -0.01 10.12 0.52 -1.26 -4.90 118.95 129.27 1r5t s ARG 33 Ca 0.11 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 1r5t s ARG 33 Cb -0.17 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 1r5t s ARG 33 CO 0.13 0.70 -0.07 0.08 0.02 0.00 0.00 175.30 176.15 1r5t s VAL 34 N -1.09 0.62 0.18 3.52 1.01 -1.26 -1.22 120.40 122.16 1r5t s VAL 34 Ca 0.23 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.00 1r5t s VAL 34 Cb -0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1r5t s VAL 34 CO 0.12 0.19 -0.21 -0.83 0.00 0.00 0.00 175.10 174.36 1r5t s GLY 35 N 0.03 1.56 -0.14 4.51 0.00 0.19 -2.48 107.32 110.97 1r5t s GLY 35 Ca -0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 44.72 43.02 1r5t s GLY 35 CO -0.00 -1.60 0.39 0.00 0.00 0.00 0.00 173.10 171.89 1r5t s SER 37 N 0.20 1.97 -0.02 0.00 1.04 -0.26 0.15 113.70 116.78 1r5t s SER 37 Ca -0.00 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1r5t s SER 37 Cb -0.03 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1r5t s SER 37 CO 0.01 0.04 -0.09 -0.63 0.98 0.00 0.00 173.24 173.54 1r5t s ILE 38 N -0.99 0.78 -0.23 -1.02 1.01 0.70 -0.87 121.20 120.59 1r5t s ILE 38 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1r5t s ILE 38 Cb -0.09 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1r5t s ILE 38 CO 0.02 0.24 0.07 -0.22 0.00 0.00 0.00 174.94 175.05 1r5t s LEU 39 N 0.10 3.60 0.88 2.97 2.96 -0.40 -0.99 118.68 127.80 1r5t s LEU 39 Ca -0.02 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 1r5t s LEU 39 Cb -0.07 -1.95 0.14 0.00 0.50 0.00 0.00 46.19 44.81 1r5t s LEU 39 CO 0.00 0.04 1.24 0.42 -1.32 0.00 0.00 176.35 176.73 1r5t s THR 40 N 1.16 2.01 -1.07 3.68 -4.23 0.05 -0.44 115.64 116.81 1r5t s THR 40 Ca 0.05 -0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 1r5t s THR 40 Cb -0.14 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.89 1r5t s THR 40 CO 0.03 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.27 1r5t n ASN 41 N -3.51 0.00 -1.48 3.99 0.23 -1.18 -1.33 115.26 111.99 1r5t n ASN 41 Ca 0.12 0.42 0.10 0.00 -0.53 0.00 0.00 54.58 54.69 1r5t n ASN 41 Cb 0.60 -0.47 0.34 0.00 -2.08 0.00 0.00 39.78 38.18 1r5t n ASN 41 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1r5t n ASN 42 N -1.47 4.51 -2.20 0.53 4.05 -1.26 -4.94 115.26 114.48 1r5t n ASN 42 Ca 0.05 -2.36 -0.20 0.00 0.45 0.00 0.00 54.58 52.52 1r5t n ASN 42 Cb 0.21 -0.55 -0.02 0.00 1.23 0.00 0.00 39.78 40.66 1r5t n ASN 42 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1r5t n ASP 43 N 1.15 -5.70 -4.88 1.20 8.00 -0.44 -5.00 116.55 110.88 1r5t n ASP 43 Ca 0.25 0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 1r5t n ASP 43 Cb 0.82 -4.75 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 1r5t n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r5t s VAL 44 N -2.97 5.39 -0.18 2.53 1.01 -1.26 -4.82 120.40 120.10 1r5t s VAL 44 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 1r5t s VAL 44 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1r5t s VAL 44 CO 0.00 0.53 0.08 -0.63 0.00 0.00 0.00 175.10 175.08 1r5t s ILE 45 N -1.12 4.95 0.05 2.22 1.01 -1.26 -0.77 121.20 126.28 1r5t s ILE 45 Ca 0.20 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1r5t s ILE 45 Cb -0.13 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1r5t s ILE 45 CO 0.09 0.46 -0.26 -0.36 0.00 0.00 0.00 174.94 174.88 1r5t s PHE 46 N 0.29 2.33 0.20 3.97 0.40 -0.16 -4.95 117.98 120.07 1r5t s PHE 46 Ca 0.05 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1r5t s PHE 46 Cb -0.12 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 1r5t s PHE 46 CO -0.00 0.15 -0.14 0.95 0.70 0.00 0.00 175.22 176.88 1r5t s THR 47 N -0.84 1.72 0.16 0.64 -4.23 -1.26 -0.21 115.64 111.62 1r5t s THR 47 Ca 0.12 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 1r5t s THR 47 Cb -0.10 -2.03 0.02 0.00 1.34 0.00 0.00 72.50 71.74 1r5t s THR 47 CO 0.03 -0.59 0.42 -0.83 -0.54 0.00 0.00 174.62 173.11 1r5t s GLY 48 N -3.28 -0.06 0.07 3.99 0.00 0.12 -4.46 107.32 103.70 1r5t s GLY 48 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 1r5t s GLY 48 CO 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 173.10 172.83 1r5t s ALA 49 N -3.86 0.28 0.49 3.20 0.00 -1.26 -0.66 121.76 119.95 1r5t s ALA 49 Ca 0.08 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 1r5t s ALA 49 Cb 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 1r5t s ALA 49 CO -0.06 -0.43 1.09 0.54 0.00 0.00 0.00 175.76 176.89 1r5t s ASN 50 N -2.91 6.14 -0.19 0.00 4.22 -1.04 -4.04 114.94 117.12 1r5t s ASN 50 Ca 0.08 2.07 -0.02 0.00 -2.14 0.00 0.00 52.86 52.85 1r5t s ASN 50 Cb 0.07 -2.58 0.06 0.00 1.28 0.00 0.00 41.25 40.08 1r5t s ASN 50 CO -0.09 -0.92 0.01 -0.69 -2.04 0.00 0.00 177.10 173.36 1r5t s VAL 51 N -1.82 0.79 0.75 3.54 1.01 0.63 -1.55 120.40 123.75 1r5t s VAL 51 Ca 0.68 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1r5t s VAL 51 Cb -0.21 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.10 1r5t s VAL 51 CO 0.25 -0.13 1.04 -1.61 0.00 0.00 0.00 175.10 174.65 1r5t s GLU 52 N 1.74 1.58 0.05 2.72 2.02 0.40 -0.57 118.70 126.64 1r5t s GLU 52 Ca -0.02 -0.89 -0.20 0.00 0.02 0.00 0.00 54.97 53.89 1r5t s GLU 52 Cb -0.17 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 31.86 1r5t s GLU 52 CO -0.07 -1.56 0.45 1.21 0.02 0.00 0.00 175.26 175.31 1r5t s ASN 53 N -4.73 -0.34 0.28 -0.19 3.84 -1.26 -4.86 114.94 107.69 1r5t s ASN 53 Ca 0.67 0.05 0.02 0.00 0.21 0.00 0.00 52.86 53.81 1r5t s ASN 53 Cb -0.06 0.45 0.60 0.00 -0.55 0.00 0.00 41.25 41.69 1r5t s ASN 53 CO 0.46 -0.69 1.80 0.00 -2.79 0.00 0.00 177.10 175.88 1r5t h ALA 54 N 2.91 1.50 -1.94 1.71 0.00 -2.00 -3.29 119.26 118.15 1r5t h ALA 54 Ca -0.31 0.05 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 1r5t h ALA 54 Cb 1.21 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 1r5t h ALA 54 CO 0.43 0.08 0.42 0.45 0.00 0.00 0.00 179.25 180.63 1r5t s SER 55 N -5.55 6.36 0.59 0.00 0.15 -1.26 -4.93 113.70 109.05 1r5t s SER 55 Ca -0.12 -0.32 0.29 0.00 0.70 0.00 0.00 55.95 56.50 1r5t s SER 55 Cb 0.23 -2.40 1.56 0.00 -1.71 0.00 0.00 66.02 63.70 1r5t s SER 55 CO 0.80 -1.06 1.99 1.88 1.20 0.00 0.00 173.24 178.05 1r5t h TYR 56 N 9.14 0.00 0.00 3.44 0.99 -2.01 -0.84 116.97 127.69 1r5t h TYR 56 Ca -0.26 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.44 1r5t h TYR 56 Cb 1.08 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.81 1r5t h TYR 56 CO 0.85 0.00 -0.14 0.77 -0.00 0.00 0.00 178.16 179.64 1r5t h SER 57 N 0.00 0.00 0.68 3.88 0.02 -1.92 -2.95 113.55 113.26 1r5t h SER 57 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1r5t h SER 57 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1r5t h SER 57 CO -0.00 0.14 -0.01 0.59 -1.14 0.00 0.00 176.83 176.41 1r5t n ASN 58 N -3.51 0.02 -4.74 3.07 4.13 -0.32 -4.92 115.26 108.99 1r5t n ASN 58 Ca -0.01 0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1r5t n ASN 58 Cb 0.29 -0.33 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 1r5t n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r5t s ILE 60 N -0.02 3.22 0.82 0.00 -1.09 0.26 -4.98 121.20 119.42 1r5t s ILE 60 Ca 0.64 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.42 1r5t s ILE 60 Cb -0.52 -2.46 0.09 0.00 -1.58 0.00 0.00 42.46 38.00 1r5t s ILE 60 CO 0.49 0.44 1.11 0.00 -1.23 0.00 0.00 174.94 175.74 1r5t h ALA 62 N -1.39 1.50 -0.28 0.00 0.00 -1.82 -1.59 119.26 115.69 1r5t h ALA 62 Ca -0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1r5t h ALA 62 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1r5t h ALA 62 CO 0.48 0.40 0.10 0.93 0.00 0.00 0.00 179.25 181.17 1r5t h GLU 63 N 1.02 0.42 -0.37 0.00 3.07 -1.89 -0.37 114.58 116.46 1r5t h GLU 63 Ca 0.34 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 59.04 1r5t h GLU 63 Cb 0.07 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1r5t h GLU 63 CO -0.11 0.45 -0.11 0.00 -1.40 0.00 0.00 179.01 177.84 1r5t h ARG 64 N 0.29 0.65 -0.22 2.33 3.08 -1.84 -0.69 114.38 117.99 1r5t h ARG 64 Ca 0.09 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1r5t h ARG 64 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1r5t h ARG 64 CO -0.01 0.75 0.10 0.77 -1.07 0.00 0.00 179.97 180.51 1r5t h SER 65 N 0.60 0.29 -0.36 7.04 0.02 -1.04 -0.30 113.55 119.81 1r5t h SER 65 Ca 0.11 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1r5t h SER 65 Cb 0.54 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1r5t h SER 65 CO 0.03 0.35 0.19 0.00 -1.14 0.00 0.00 176.83 176.27 1r5t h ALA 66 N 0.95 0.45 -0.78 3.77 0.00 -0.76 -2.26 119.26 120.62 1r5t h ALA 66 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r5t h ALA 66 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1r5t h ALA 66 CO -0.01 -0.17 0.31 0.52 0.00 0.00 0.00 179.25 179.90 1r5t h MET 67 N 0.39 1.16 -0.46 0.00 2.07 -0.90 -1.98 114.93 115.21 1r5t h MET 67 Ca 0.15 -0.21 0.05 0.00 -2.07 0.00 0.00 59.70 57.62 1r5t h MET 67 Cb 0.04 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.54 1r5t h MET 67 CO -0.09 0.94 0.21 0.82 1.07 0.00 0.00 176.91 179.85 1r5t h ILE 68 N 1.13 0.93 -0.32 -1.22 1.08 -0.75 0.54 117.51 118.91 1r5t h ILE 68 Ca 0.26 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 1r5t h ILE 68 Cb 0.21 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1r5t h ILE 68 CO -0.02 0.08 0.12 1.56 -0.69 0.00 0.00 178.15 179.19 1r5t h GLN 69 N 0.42 0.26 -0.15 2.37 1.08 -0.97 -0.27 115.11 117.85 1r5t h GLN 69 Ca 0.21 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1r5t h GLN 69 Cb 0.15 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1r5t h GLN 69 CO -0.17 0.17 0.08 0.28 -0.95 0.00 0.00 178.83 178.25 1r5t h VAL 70 N 0.26 1.08 -0.69 -0.54 2.07 -0.82 -2.44 116.25 115.17 1r5t h VAL 70 Ca 0.14 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1r5t h VAL 70 Cb 0.10 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1r5t h VAL 70 CO -0.14 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.64 1r5t h LEU 71 N 0.15 1.04 -1.56 2.57 3.38 -0.70 -2.32 115.31 117.86 1r5t h LEU 71 Ca 0.05 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1r5t h LEU 71 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1r5t h LEU 71 CO -0.01 1.00 0.00 0.24 0.09 0.00 0.00 178.44 179.76 1r5t h MET 72 N 1.04 0.00 -0.11 1.13 2.86 -0.98 -2.16 114.93 116.70 1r5t h MET 72 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1r5t h MET 72 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1r5t h MET 72 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1r5t n ALA 73 N -2.07 2.55 0.00 6.32 0.00 -0.90 -4.93 120.51 121.47 1r5t n ALA 73 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1r5t n ALA 73 Cb 0.28 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1r5t n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5t n GLY 74 N 1.10 0.74 3.56 0.00 0.00 -0.81 -5.02 105.19 104.75 1r5t n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1r5t n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r5t s HIS 75 N -2.20 2.56 0.25 1.61 3.76 -1.03 -4.82 115.29 115.43 1r5t s HIS 75 Ca 0.00 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 54.02 1r5t s HIS 75 Cb 0.00 -4.70 0.32 0.00 1.11 0.00 0.00 32.58 29.30 1r5t s HIS 75 CO 0.00 -1.92 1.63 0.00 -0.85 0.00 0.00 174.74 173.59 1r5t h ARG 76 N 9.59 0.37 0.00 1.40 2.47 -1.87 -3.37 114.38 122.97 1r5t h ARG 76 Ca 0.22 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1r5t h ARG 76 Cb 1.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1r5t h ARG 76 CO 1.43 0.75 0.06 -1.13 0.56 0.00 0.00 179.97 181.64 1r5t n SER 77 N -3.99 -0.47 -0.01 7.04 3.41 -1.26 -4.94 113.62 113.39 1r5t n SER 77 Ca -0.02 -1.32 -0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1r5t n SER 77 Cb 0.52 0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 65.26 1r5t n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r5t n GLY 78 N -0.11 0.47 3.68 5.00 0.00 -1.26 -4.68 105.19 108.29 1r5t n GLY 78 Ca -0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1r5t n GLY 78 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1r5t n TRP 79 N -2.98 1.62 -0.08 1.61 8.01 -1.26 -3.08 117.44 121.27 1r5t n TRP 79 Ca -0.00 0.46 -0.08 0.00 -1.31 0.00 0.00 57.50 56.57 1r5t n TRP 79 Cb 0.01 -2.27 -0.15 0.00 -2.01 0.00 0.00 31.31 26.90 1r5t n TRP 79 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r5t n LYS 80 N -0.81 0.98 -3.54 -0.99 5.02 0.42 -4.85 118.16 114.38 1r5t n LYS 80 Ca 0.11 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 1r5t n LYS 80 Cb 0.44 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1r5t n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r5t s MET 82 N -2.32 0.57 -0.09 0.00 1.75 -0.94 -1.27 119.30 117.01 1r5t s MET 82 Ca 0.03 -0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.43 1r5t s MET 82 Cb -0.01 -0.61 -0.01 0.00 2.84 0.00 0.00 34.83 37.04 1r5t s MET 82 CO -0.05 -0.03 -0.21 0.08 -0.65 0.00 0.00 175.02 174.16 1r5t s VAL 83 N 0.61 2.35 -0.07 10.11 1.01 -0.05 -0.14 120.40 134.22 1r5t s VAL 83 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1r5t s VAL 83 Cb -0.11 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1r5t s VAL 83 CO -0.00 0.56 -0.22 -0.63 0.00 0.00 0.00 175.10 174.81 1r5t s ILE 84 N 0.06 1.84 -0.01 2.22 1.01 0.60 -1.10 121.20 125.82 1r5t s ILE 84 Ca -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1r5t s ILE 84 Cb -0.15 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1r5t s ILE 84 CO 0.06 0.51 -0.08 0.00 0.00 0.00 0.00 174.94 175.43 1r5t s GLY 86 N -0.07 1.14 0.00 0.00 0.00 -1.25 0.53 107.32 107.67 1r5t s GLY 86 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1r5t s GLY 86 CO -0.00 -1.26 0.92 1.22 0.00 0.00 0.00 173.10 173.98 1r5t n ASP 87 N -0.23 2.60 -4.66 1.64 10.43 -0.36 -1.70 116.55 124.28 1r5t n ASP 87 Ca -0.01 -1.57 -0.39 0.00 2.57 0.00 0.00 54.79 55.39 1r5t n ASP 87 Cb 0.65 -0.50 -0.07 0.00 1.84 0.00 0.00 41.12 43.05 1r5t n ASP 87 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1r5t s SER 88 N 1.39 6.58 -0.02 -2.24 0.15 -1.26 -4.87 113.70 113.43 1r5t s SER 88 Ca 0.00 0.70 -0.25 0.00 0.70 0.00 0.00 55.95 57.10 1r5t s SER 88 Cb 0.00 -2.30 -0.19 0.00 -1.71 0.00 0.00 66.02 61.81 1r5t s SER 88 CO 0.00 -0.21 1.23 -0.08 1.20 0.00 0.00 173.24 175.38 1r5t h GLU 89 N 7.50 -0.07 0.00 5.44 4.57 -1.96 0.34 114.58 130.40 1r5t h GLU 89 Ca -0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1r5t h GLU 89 Cb 1.15 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1r5t h GLU 89 CO 0.75 0.39 -0.74 -3.47 -1.18 0.00 0.00 179.01 174.76 1r5t n ASP 90 N -4.90 1.54 -4.81 1.04 2.03 -1.26 -4.54 116.55 105.66 1r5t n ASP 90 Ca -0.08 0.31 -0.33 0.00 0.52 0.00 0.00 54.79 55.21 1r5t n ASP 90 Cb 0.25 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1r5t n ASP 90 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1r5t s GLN 91 N -2.44 3.41 0.49 -0.67 0.74 -1.26 -4.82 119.66 115.10 1r5t s GLN 91 Ca -0.21 1.17 -0.20 0.00 0.05 0.00 0.00 55.36 56.17 1r5t s GLN 91 Cb 0.03 -2.05 -0.08 0.00 1.10 0.00 0.00 33.01 32.01 1r5t s GLN 91 CO 0.32 -0.73 1.02 0.00 -0.55 0.00 0.00 175.29 175.35 1r5t s VAL 93 N -2.09 4.75 -0.04 0.00 1.01 -0.73 -4.91 120.40 118.39 1r5t s VAL 93 Ca 0.66 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 1r5t s VAL 93 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1r5t s VAL 93 CO 0.21 -0.49 0.18 -0.94 0.00 0.00 0.00 175.10 174.06 1r5t s SER 94 N 1.92 6.39 0.47 3.32 1.04 -1.26 -4.39 113.70 121.19 1r5t s SER 94 Ca 0.29 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.88 1r5t s SER 94 Cb -0.13 -2.03 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 1r5t s SER 94 CO 0.18 0.30 1.36 -2.16 0.98 0.00 0.00 173.24 173.90 1r5t s PRO 95 N -1.67 3.58 0.80 4.02 0.04 -1.26 -4.99 135.00 135.52 1r5t s PRO 95 Ca 0.24 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 1r5t s PRO 95 Cb -0.13 -2.54 0.07 0.00 0.04 0.00 0.00 34.50 31.95 1r5t s PRO 95 CO 0.14 -0.84 1.11 0.00 0.04 0.00 0.00 177.00 177.46 1r5t h GLY 97 N -1.04 0.70 0.99 0.00 0.00 -1.98 -1.64 103.07 100.09 1r5t h GLY 97 Ca -0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1r5t h GLY 97 CO 0.62 0.14 0.31 -2.08 0.00 0.00 0.00 176.54 175.52 1r5t h VAL 98 N 0.52 1.20 -0.40 4.60 2.07 -2.00 -1.98 116.25 120.25 1r5t h VAL 98 Ca 0.28 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1r5t h VAL 98 Cb 0.43 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r5t h VAL 98 CO -0.09 0.22 -0.30 0.00 0.02 0.00 0.00 177.57 177.42 1r5t h ARG 100 N 0.73 1.05 -0.54 0.00 3.08 -1.12 0.18 114.38 117.75 1r5t h ARG 100 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1r5t h ARG 100 Cb 0.88 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1r5t h ARG 100 CO 0.08 0.70 0.09 0.37 -1.07 0.00 0.00 179.97 180.13 1r5t h GLN 101 N 1.08 0.87 -0.15 0.04 5.75 -1.28 -0.60 115.11 120.81 1r5t h GLN 101 Ca 0.35 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 1r5t h GLN 101 Cb 0.01 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 1r5t h GLN 101 CO -0.12 0.81 -0.13 0.35 -2.65 0.00 0.00 178.83 177.09 1r5t h PHE 102 N 0.82 0.43 -0.65 3.99 3.57 -0.79 -3.18 116.94 121.13 1r5t h PHE 102 Ca 0.17 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1r5t h PHE 102 Cb 0.37 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1r5t h PHE 102 CO 0.02 0.73 0.32 0.82 -2.23 0.00 0.00 178.31 177.97 1r5t h ILE 103 N 0.00 1.22 -0.55 1.41 2.04 -0.55 -2.72 117.51 118.37 1r5t h ILE 103 Ca 0.03 -0.61 0.16 0.00 1.00 0.00 0.00 64.86 65.44 1r5t h ILE 103 Cb 0.64 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1r5t h ILE 103 CO 0.03 0.25 0.40 -1.13 0.00 0.00 0.00 178.15 177.71 1r5t h ASN 104 N 0.90 0.00 0.60 1.72 -1.24 -1.09 -0.69 115.58 115.79 1r5t h ASN 104 Ca 0.22 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 1r5t h ASN 104 Cb 0.11 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 1r5t h ASN 104 CO -0.03 0.00 -0.08 -0.08 -1.29 0.00 0.00 177.43 175.95 1r5t h GLU 105 N 0.00 0.00 0.00 6.67 4.57 -1.46 -3.33 114.58 121.03 1r5t h GLU 105 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1r5t h GLU 105 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1r5t h GLU 105 CO -0.00 0.08 0.00 1.19 -1.18 0.00 0.00 179.01 179.10 1r5t n PHE 106 N -3.34 0.00 -4.45 0.92 3.01 -0.30 -5.08 117.46 108.22 1r5t n PHE 106 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1r5t n PHE 106 Cb 0.27 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.64 1r5t n PHE 106 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1r5t s VAL 107 N -0.67 2.38 0.58 -4.37 -7.23 -1.00 -4.61 120.40 105.48 1r5t s VAL 107 Ca 0.00 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.01 1r5t s VAL 107 Cb 0.00 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1r5t s VAL 107 CO 0.00 -0.17 0.96 0.68 -0.31 0.00 0.00 175.10 176.26 1r5t s VAL 108 N -2.58 4.73 0.38 1.32 -7.23 -1.26 -4.87 120.40 110.89 1r5t s VAL 108 Ca 0.34 0.67 0.14 0.00 -1.81 0.00 0.00 61.98 61.32 1r5t s VAL 108 Cb 0.02 -3.86 0.36 0.00 0.56 0.00 0.00 36.38 33.46 1r5t s VAL 108 CO 0.18 -1.05 1.83 0.11 -0.31 0.00 0.00 175.10 175.86 1r5t h LYS 109 N -0.17 0.50 -0.01 4.82 6.56 -1.96 -1.03 116.57 125.29 1r5t h LYS 109 Ca -0.45 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1r5t h LYS 109 Cb 1.20 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1r5t h LYS 109 CO 0.62 0.33 -0.02 -0.25 -2.06 0.00 0.00 179.45 178.07 1r5t n ASP 110 N -4.59 0.74 -4.67 0.86 8.00 -1.26 0.04 116.55 115.67 1r5t n ASP 110 Ca 0.21 -1.15 -0.55 0.00 0.71 0.00 0.00 54.79 54.01 1r5t n ASP 110 Cb 0.67 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 1r5t n ASP 110 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1r5t n PHE 111 N -0.47 1.91 -2.84 1.24 7.35 -0.39 -4.61 117.46 119.63 1r5t n PHE 111 Ca 0.20 0.52 -0.41 0.00 -0.76 0.00 0.00 57.45 57.01 1r5t n PHE 111 Cb 0.24 -2.44 -0.05 0.00 0.35 0.00 0.00 39.48 37.59 1r5t n PHE 111 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1r5t s PRO 112 N 2.52 4.59 -0.20 -7.13 0.04 -1.26 -0.30 135.00 133.26 1r5t s PRO 112 Ca 0.93 1.27 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1r5t s PRO 112 Cb -0.99 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 30.21 1r5t s PRO 112 CO 0.58 0.21 -0.09 0.42 0.04 0.00 0.00 177.00 178.16 1r5t s ILE 113 N 0.10 1.55 -0.24 0.56 1.01 -0.21 -2.22 121.20 121.75 1r5t s ILE 113 Ca 0.44 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1r5t s ILE 113 Cb -0.22 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1r5t s ILE 113 CO 0.26 0.13 0.36 -0.69 0.00 0.00 0.00 174.94 175.00 1r5t s VAL 114 N 1.43 5.20 -0.15 2.92 1.01 0.80 -1.98 120.40 129.63 1r5t s VAL 114 Ca -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1r5t s VAL 114 Cb -0.16 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1r5t s VAL 114 CO -0.08 0.21 -0.08 -0.04 0.00 0.00 0.00 175.10 175.12 1r5t s MET 115 N 1.66 3.52 0.27 2.72 -1.94 0.28 -0.29 119.30 125.52 1r5t s MET 115 Ca 0.16 -0.60 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1r5t s MET 115 Cb -0.15 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1r5t s MET 115 CO 0.09 0.18 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.62 1r5t s LEU 116 N 0.48 2.59 0.00 -0.03 1.43 -0.08 -1.24 118.68 121.82 1r5t s LEU 116 Ca -0.06 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1r5t s LEU 116 Cb -0.15 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.23 1r5t s LEU 116 CO 0.04 -0.10 0.43 -0.46 0.23 0.00 0.00 176.35 176.49 1r5t n ASN 117 N -0.57 0.49 0.01 2.29 6.94 -1.01 -1.78 115.26 121.63 1r5t n ASN 117 Ca -0.06 -1.43 0.16 0.00 -0.02 0.00 0.00 54.58 53.23 1r5t n ASN 117 Cb 0.61 -0.29 0.63 0.00 -2.36 0.00 0.00 39.78 38.37 1r5t n ASN 117 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1r5t h SER 118 N -0.31 0.10 0.00 0.53 4.64 0.58 -2.97 113.55 116.12 1r5t h SER 118 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1r5t h SER 118 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1r5t h SER 118 CO 0.14 0.06 -1.51 0.35 -0.87 0.00 0.00 176.83 175.01 1r5t n THR 119 N -4.43 0.00 -0.33 2.95 -2.24 -1.26 -4.90 114.28 104.06 1r5t n THR 119 Ca 0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1r5t n THR 119 Cb 0.47 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1r5t n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5t n GLY 120 N 1.75 0.82 0.03 3.38 0.00 -1.12 -4.93 105.19 105.12 1r5t n GLY 120 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1r5t n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r5t n SER 121 N 0.23 0.22 -3.88 1.61 3.41 -1.26 -4.58 113.62 109.37 1r5t n SER 121 Ca 0.00 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 58.97 1r5t n SER 121 Cb 0.00 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.21 1r5t n SER 121 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1r5t s ARG 122 N -3.06 0.49 0.05 4.33 3.52 -1.26 -5.06 118.95 117.97 1r5t s ARG 122 Ca 0.10 -0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1r5t s ARG 122 Cb 0.14 -0.56 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 1r5t s ARG 122 CO 0.45 -0.05 0.20 -1.54 -0.81 0.00 0.00 175.30 173.55 1r5t s SER 123 N 0.66 0.04 -0.06 -2.12 1.04 -1.26 -2.41 113.70 109.59 1r5t s SER 123 Ca -0.07 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 1r5t s SER 123 Cb -0.11 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1r5t s SER 123 CO -0.01 -0.59 0.34 -0.75 0.98 0.00 0.00 173.24 173.21 1r5t s LYS 124 N -2.80 0.57 -0.10 4.02 2.47 -0.37 -5.00 119.74 118.54 1r5t s LYS 124 Ca -0.03 0.10 0.02 0.00 -1.56 0.00 0.00 55.97 54.49 1r5t s LYS 124 Cb 0.00 0.26 0.01 0.00 -1.46 0.00 0.00 37.83 36.65 1r5t s LYS 124 CO -0.05 -0.13 -0.14 0.08 0.16 0.00 0.00 175.35 175.26 1r5t s VAL 125 N -0.71 1.40 0.02 4.02 1.01 -1.26 -0.56 120.40 124.32 1r5t s VAL 125 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1r5t s VAL 125 Cb -0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1r5t s VAL 125 CO 0.03 0.42 -0.04 -0.04 0.00 0.00 0.00 175.10 175.47 1r5t s MET 126 N 0.95 0.31 0.57 2.72 -1.94 -0.84 -4.97 119.30 116.10 1r5t s MET 126 Ca -0.08 -0.52 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 1r5t s MET 126 Cb -0.15 -0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 1r5t s MET 126 CO -0.01 -0.01 0.91 0.95 -0.01 0.00 0.00 175.02 176.85 1r5t s THR 127 N -1.13 4.27 0.23 2.05 -4.23 -1.26 -1.04 115.64 114.52 1r5t s THR 127 Ca -0.11 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1r5t s THR 127 Cb -0.08 -3.68 0.19 0.00 1.34 0.00 0.00 72.50 70.27 1r5t s THR 127 CO -0.01 -0.75 1.77 -0.03 -0.54 0.00 0.00 174.62 175.07 1r5t h MET 128 N -0.12 0.57 -0.95 3.99 4.05 -0.44 -1.14 114.93 120.89 1r5t h MET 128 Ca -0.46 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 58.97 1r5t h MET 128 Cb 1.23 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.84 1r5t h MET 128 CO 0.62 0.38 0.62 0.78 0.23 0.00 0.00 176.91 179.54 1r5t h GLY 129 N 0.59 1.39 1.00 1.39 0.00 -0.67 -2.04 103.07 104.73 1r5t h GLY 129 Ca 0.37 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1r5t h GLY 129 CO -0.29 0.39 -0.24 0.83 0.00 0.00 0.00 176.54 177.23 1r5t h GLU 130 N 1.18 0.77 0.00 4.80 5.08 -1.48 -3.19 114.58 121.74 1r5t h GLU 130 Ca 0.39 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1r5t h GLU 130 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1r5t h GLU 130 CO -0.12 0.99 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.51 1r5t h LEU 131 N 0.55 0.00 -6.31 1.33 3.38 -1.07 -3.38 115.31 109.81 1r5t h LEU 131 Ca 0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.45 1r5t h LEU 131 Cb 0.80 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.16 1r5t h LEU 131 CO 0.06 0.30 -0.98 -0.11 0.09 0.00 0.00 178.44 177.80 1r5t n LEU 132 N -3.47 -0.05 -4.76 1.67 7.94 -0.79 -5.07 117.00 112.46 1r5t n LEU 132 Ca -0.00 -4.52 -0.38 0.00 -1.11 0.00 0.00 56.01 50.01 1r5t n LEU 132 Cb 0.47 0.47 0.01 0.00 0.53 0.00 0.00 43.42 44.90 1r5t n LEU 132 CO 0.35 1.91 0.88 -2.84 -1.11 0.00 0.00 177.39 176.58 1r5t s PRO 133 N -0.37 3.59 -1.46 1.96 0.02 -1.21 -3.20 135.00 134.32 1r5t s PRO 133 Ca 0.33 1.93 -0.09 0.00 0.02 0.00 0.00 61.00 63.19 1r5t s PRO 133 Cb 0.07 -2.38 0.06 0.00 0.02 0.00 0.00 34.50 32.26 1r5t s PRO 133 CO -0.17 -0.74 0.89 -1.33 -0.33 0.00 0.00 177.00 175.31 1r5t n MET 134 N -0.61 -5.30 -1.60 5.54 2.81 -1.26 -4.85 117.12 111.85 1r5t n MET 134 Ca 0.08 0.60 -0.46 0.00 -1.81 0.00 0.00 57.70 56.11 1r5t n MET 134 Cb 0.47 -5.37 -0.02 0.00 -0.71 0.00 0.00 33.22 27.58 1r5t n MET 134 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r5t n ALA 135 N -4.56 -0.15 -2.65 3.04 0.00 -1.20 -4.91 120.51 110.07 1r5t n ALA 135 Ca -0.07 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 1r5t n ALA 135 Cb 0.58 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1r5t n ALA 135 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r5t s PHE 136 N -0.69 3.33 0.00 0.00 2.19 -1.26 -5.02 117.98 116.54 1r5t s PHE 136 Ca 0.64 1.30 0.00 0.00 0.33 0.00 0.00 56.93 59.20 1r5t s PHE 136 Cb -0.73 -3.16 0.00 0.00 -1.31 0.00 0.00 43.02 37.82 1r5t s PHE 136 CO 0.57 -0.43 0.00 0.41 1.83 0.00 0.00 175.22 177.59 1r5t n GLY 137 N 3.53 4.56 0.29 13.12 0.00 -1.26 -5.02 105.19 120.41 1r5t n GLY 137 Ca 0.09 -1.81 0.19 0.00 0.00 0.00 0.00 46.02 44.49 1r5t n GLY 137 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r5t h PRO 138 N 0.00 0.00 0.00 1.61 0.11 -1.95 -1.75 132.00 130.02 1r5t h PRO 138 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1r5t h PRO 138 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1r5t h PRO 138 CO 0.00 0.00 -0.40 0.66 -0.21 0.00 0.00 178.00 178.05 1r5t h SER 139 N 0.00 0.00 1.04 -2.05 4.64 -1.97 -2.09 113.55 113.11 1r5t h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r5t h SER 139 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1r5t h SER 139 CO 0.00 0.40 0.00 0.45 -0.87 0.00 0.00 176.83 176.81 1r5t h HIS 140 N 0.00 0.00 -2.30 4.77 3.86 -1.72 -3.45 115.15 116.32 1r5t h HIS 140 Ca -0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.76 1r5t h HIS 140 Cb 0.77 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.27 1r5t h HIS 140 CO 0.00 0.00 -0.14 -0.51 0.86 0.00 0.00 177.93 178.14 1r5t s LEU 141 N -5.05 3.57 0.00 2.43 1.43 -0.79 -5.11 118.68 115.16 1r5t s LEU 141 Ca 0.05 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1r5t s LEU 141 Cb 0.09 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1r5t s LEU 141 CO 0.49 -0.83 0.00 -0.46 0.23 0.00 0.00 176.35 175.78