#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2t n PRO 3 N -3.36 0.76 -0.01 0.00 -0.02 -1.26 -4.82 135.00 126.30 1x2t n PRO 3 Ca 0.08 0.30 0.22 0.00 -2.02 0.00 0.00 63.50 62.09 1x2t n PRO 3 Cb 0.60 -2.15 0.72 0.00 -0.02 0.00 0.00 33.50 32.65 1x2t n PRO 3 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1x2t h SER 4 N 0.24 0.00 -0.09 2.55 4.64 -2.03 -0.08 113.55 118.78 1x2t h SER 4 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1x2t h SER 4 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1x2t h SER 4 CO 0.49 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.55 1x2t n ASP 5 N -4.04 1.72 -4.71 4.97 5.75 -1.26 -4.90 116.55 114.07 1x2t n ASP 5 Ca 0.11 -1.62 -0.24 0.00 -0.01 0.00 0.00 54.79 53.03 1x2t n ASP 5 Cb 0.71 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.68 1x2t n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1x2t s TRP 6 N -1.90 2.64 0.01 2.11 0.52 -0.04 -4.84 118.94 117.44 1x2t s TRP 6 Ca 0.35 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 56.09 1x2t s TRP 6 Cb 0.20 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 1x2t s TRP 6 CO 0.30 0.32 -0.23 -1.12 0.02 0.00 0.00 176.95 176.24 1x2t s SER 7 N -3.84 3.38 -0.06 2.95 0.01 0.10 -4.74 113.70 111.51 1x2t s SER 7 Ca 0.38 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1x2t s SER 7 Cb -0.00 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 1x2t s SER 7 CO 0.22 0.29 0.24 -0.94 0.41 0.00 0.00 173.24 173.45 1x2t s SER 8 N -1.05 6.52 -0.22 2.44 1.04 -1.26 -0.56 113.70 120.61 1x2t s SER 8 Ca 0.12 0.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 1x2t s SER 8 Cb -0.10 -2.12 0.11 0.00 0.10 0.00 0.00 66.02 64.01 1x2t s SER 8 CO 0.02 0.35 0.41 -0.47 0.98 0.00 0.00 173.24 174.52 1x2t s TYR 9 N -1.11 -0.83 -1.53 5.02 5.04 -0.48 -4.96 117.35 118.51 1x2t s TYR 9 Ca 0.20 1.26 -0.02 0.00 -2.44 0.00 0.00 57.07 56.07 1x2t s TYR 9 Cb -0.13 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.40 1x2t s TYR 9 CO 0.09 -0.58 0.22 0.39 -1.34 0.00 0.00 175.55 174.33 1x2t n GLU 10 N 5.38 -1.85 -0.55 4.97 1.02 -1.26 -1.13 120.64 127.23 1x2t n GLU 10 Ca -0.06 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1x2t n GLU 10 Cb 0.50 -4.05 0.00 0.00 -0.02 0.00 0.00 31.44 27.87 1x2t n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x2t n GLY 11 N -2.23 1.25 3.66 0.62 0.00 -1.26 -5.03 105.19 102.20 1x2t n GLY 11 Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1x2t n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x2t s HIS 12 N -3.31 2.69 -0.04 1.61 3.76 -0.28 -1.44 115.29 118.29 1x2t s HIS 12 Ca 0.00 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 1x2t s HIS 12 Cb 0.00 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 1x2t s HIS 12 CO 0.00 0.56 -0.24 0.00 -0.85 0.00 0.00 174.74 174.21 1x2t s TYR 14 N -0.45 1.27 -0.24 0.00 1.51 0.28 -1.98 117.35 117.74 1x2t s TYR 14 Ca 0.05 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1x2t s TYR 14 Cb -0.11 -0.71 0.10 0.00 -0.11 0.00 0.00 41.96 41.13 1x2t s TYR 14 CO 0.01 0.07 0.51 0.21 -1.11 0.00 0.00 175.55 175.24 1x2t s LYS 15 N -1.86 0.42 0.40 -0.62 2.20 -0.79 0.00 119.74 119.50 1x2t s LYS 15 Ca -0.00 1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 56.62 1x2t s LYS 15 Cb -0.09 0.53 -0.09 0.00 -1.51 0.00 0.00 37.83 36.66 1x2t s LYS 15 CO 0.02 -0.23 0.86 -1.25 -0.36 0.00 0.00 175.35 174.39 1x2t s PRO 16 N 2.69 4.07 -0.02 4.03 0.04 -1.26 -0.95 135.00 143.60 1x2t s PRO 16 Ca -0.03 0.87 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1x2t s PRO 16 Cb -0.12 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1x2t s PRO 16 CO -0.15 0.01 -0.15 -0.06 0.04 0.00 0.00 177.00 176.69 1x2t s PHE 17 N -2.18 1.38 -0.34 0.56 0.08 0.67 -4.95 117.98 113.20 1x2t s PHE 17 Ca 0.58 -0.28 0.23 0.00 0.12 0.00 0.00 56.93 57.58 1x2t s PHE 17 Cb -0.10 -0.90 0.07 0.00 -0.57 0.00 0.00 43.02 41.52 1x2t s PHE 17 CO 0.19 -0.04 1.09 -1.13 -0.10 0.00 0.00 175.22 175.22 1x2t n SER 18 N 2.77 0.79 -4.65 1.36 3.41 -1.26 -2.99 113.62 113.05 1x2t n SER 18 Ca -0.15 0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1x2t n SER 18 Cb 0.55 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1x2t n SER 18 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1x2t s GLU 19 N -3.32 4.15 0.34 4.33 1.03 -1.26 -4.82 118.70 119.16 1x2t s GLU 19 Ca 0.01 1.63 -0.28 0.00 0.03 0.00 0.00 54.97 56.36 1x2t s GLU 19 Cb 0.11 -3.82 -0.10 0.00 -0.80 0.00 0.00 34.13 29.52 1x2t s GLU 19 CO 0.78 -0.83 1.23 -2.14 -1.33 0.00 0.00 175.26 172.97 1x2t s PRO 20 N 3.73 4.32 0.12 -4.83 0.02 -1.26 -4.69 135.00 132.41 1x2t s PRO 20 Ca 0.57 2.03 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 1x2t s PRO 20 Cb -0.22 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1x2t s PRO 20 CO 0.18 -0.15 0.33 0.15 -0.33 0.00 0.00 177.00 177.18 1x2t s LYS 21 N -1.87 1.03 0.83 5.54 1.02 -0.91 -4.82 119.74 120.57 1x2t s LYS 21 Ca 0.50 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 1x2t s LYS 21 Cb -0.36 0.42 0.09 0.00 -0.52 0.00 0.00 37.83 37.47 1x2t s LYS 21 CO 0.47 -0.38 1.16 0.54 -0.92 0.00 0.00 175.35 176.21 1x2t s ASN 22 N -2.85 4.26 0.11 2.83 2.20 -1.25 -1.88 114.94 118.37 1x2t s ASN 22 Ca 0.06 0.88 -0.34 0.00 -0.94 0.00 0.00 52.86 52.52 1x2t s ASN 22 Cb 0.03 -1.43 -0.13 0.00 -2.00 0.00 0.00 41.25 37.72 1x2t s ASN 22 CO -0.10 -2.07 1.56 -0.25 -2.94 0.00 0.00 177.10 173.31 1x2t h TRP 23 N -1.17 -1.49 -0.49 1.54 7.01 -1.57 -0.55 115.95 119.23 1x2t h TRP 23 Ca -0.47 0.04 0.09 0.00 2.11 0.00 0.00 58.89 60.66 1x2t h TRP 23 Cb 1.32 0.64 -0.07 0.00 -2.10 0.00 0.00 29.16 28.96 1x2t h TRP 23 CO 0.32 -0.57 0.07 0.00 -2.79 0.00 0.00 178.44 175.47 1x2t h ALA 24 N -0.39 0.52 -0.56 2.65 0.00 -1.94 0.54 119.26 120.09 1x2t h ALA 24 Ca 0.01 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1x2t h ALA 24 Cb 0.73 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1x2t h ALA 24 CO -0.33 -0.33 0.16 -0.44 0.00 0.00 0.00 179.25 178.31 1x2t h ASP 25 N 0.20 0.78 -0.24 0.00 3.32 -1.88 -0.78 116.42 117.82 1x2t h ASP 25 Ca 0.24 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1x2t h ASP 25 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1x2t h ASP 25 CO -0.34 0.75 0.05 0.00 -1.72 0.00 0.00 179.24 177.98 1x2t h ALA 26 N 1.35 0.32 -0.18 3.45 0.00 -0.01 0.89 119.26 125.09 1x2t h ALA 26 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x2t h ALA 26 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x2t h ALA 26 CO -0.01 -0.02 0.12 1.49 0.00 0.00 0.00 179.25 180.83 1x2t h GLU 27 N 0.21 0.23 -0.51 0.00 4.57 -0.66 -0.29 114.58 118.13 1x2t h GLU 27 Ca 0.07 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1x2t h GLU 27 Cb 0.29 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1x2t h GLU 27 CO 0.00 0.16 0.29 -0.97 -1.18 0.00 0.00 179.01 177.31 1x2t h ASN 28 N 0.23 0.63 -0.98 1.04 -0.73 -1.05 -2.24 115.58 112.49 1x2t h ASN 28 Ca 0.06 -0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.20 1x2t h ASN 28 Cb -0.02 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.35 1x2t h ASN 28 CO -0.01 0.53 0.64 0.15 -0.37 0.00 0.00 177.43 178.36 1x2t h PHE 29 N 0.68 1.19 -0.69 0.67 3.04 -0.49 -1.95 116.94 119.39 1x2t h PHE 29 Ca 0.18 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 1x2t h PHE 29 Cb 0.03 -0.39 -0.03 0.00 2.56 0.00 0.00 35.95 38.11 1x2t h PHE 29 CO -0.02 0.67 0.27 0.00 -2.02 0.00 0.00 178.31 177.21 1x2t h THR 31 N 1.01 0.03 -0.00 0.00 1.35 -0.88 -1.96 112.91 112.46 1x2t h THR 31 Ca 0.23 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1x2t h THR 31 Cb 0.21 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1x2t h THR 31 CO -0.02 0.00 -0.55 0.00 -0.25 0.00 0.00 175.52 174.70 1x2t n GLN 32 N -3.11 0.42 0.16 4.72 6.02 -0.70 -4.14 117.38 120.75 1x2t n GLN 32 Ca -0.02 -0.29 0.12 0.00 -0.01 0.00 0.00 57.00 56.80 1x2t n GLN 32 Cb 0.16 -1.49 0.19 0.00 1.02 0.00 0.00 30.24 30.11 1x2t n GLN 32 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1x2t h GLN 33 N 0.71 0.00 -1.12 -1.09 1.08 -1.12 -3.47 115.11 110.10 1x2t h GLN 33 Ca 0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.42 1x2t h GLN 33 Cb 0.54 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.70 1x2t h GLN 33 CO 0.00 0.00 0.90 -1.58 -0.95 0.00 0.00 178.83 177.20 1x2t s HIS 34 N -3.21 -0.08 0.21 2.96 2.46 -1.25 -5.05 115.29 111.32 1x2t s HIS 34 Ca 0.06 0.14 -0.32 0.00 0.47 0.00 0.00 55.06 55.41 1x2t s HIS 34 Cb 0.08 0.49 -0.13 0.00 -0.13 0.00 0.00 32.58 32.89 1x2t s HIS 34 CO 0.68 -0.07 1.51 0.00 -2.47 0.00 0.00 174.74 174.40 1x2t n ALA 35 N 0.60 1.41 -1.00 1.58 0.00 -1.26 -0.82 120.51 121.02 1x2t n ALA 35 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1x2t n ALA 35 Cb 0.59 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1x2t n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x2t n GLY 36 N 2.82 0.48 3.78 0.00 0.00 -1.26 -4.84 105.19 106.16 1x2t n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1x2t n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x2t s GLY 37 N -2.00 2.74 0.24 -0.02 0.00 0.00 -4.49 107.32 103.79 1x2t s GLY 37 Ca 0.00 0.81 -0.19 0.00 0.00 0.00 0.00 44.72 45.34 1x2t s GLY 37 CO 0.00 1.25 0.61 0.30 0.00 0.00 0.00 173.10 175.26 1x2t s HIS 38 N -1.62 -0.12 0.66 1.90 3.76 -0.48 -3.39 115.29 115.99 1x2t s HIS 38 Ca 0.61 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 1x2t s HIS 38 Cb -0.25 0.52 -0.00 0.00 1.11 0.00 0.00 32.58 33.96 1x2t s HIS 38 CO 0.31 -1.06 1.23 -0.51 -0.85 0.00 0.00 174.74 173.85 1x2t s LEU 39 N -2.90 3.52 0.39 0.89 1.43 -1.26 0.10 118.68 120.85 1x2t s LEU 39 Ca 0.11 2.45 -0.27 0.00 -1.03 0.00 0.00 54.13 55.39 1x2t s LEU 39 Cb -0.03 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.49 1x2t s LEU 39 CO 0.02 -1.95 1.45 0.54 0.23 0.00 0.00 176.35 176.65 1x2t s VAL 40 N -1.67 2.13 -0.07 -1.59 0.11 0.77 -4.17 120.40 115.90 1x2t s VAL 40 Ca 0.78 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 60.00 1x2t s VAL 40 Cb -0.32 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 1x2t s VAL 40 CO 0.39 0.03 -0.23 -0.94 -3.33 0.00 0.00 175.10 171.02 1x2t s SER 41 N -0.29 2.88 -0.42 3.54 1.04 -1.26 -0.09 113.70 119.11 1x2t s SER 41 Ca 0.55 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 1x2t s SER 41 Cb -0.45 -0.98 0.03 0.00 0.10 0.00 0.00 66.02 64.72 1x2t s SER 41 CO 0.60 0.20 0.30 -0.36 0.98 0.00 0.00 173.24 174.95 1x2t s PHE 42 N 0.06 3.25 -1.99 5.02 0.08 -1.26 -4.90 117.98 118.24 1x2t s PHE 42 Ca -0.09 -0.77 0.23 0.00 0.12 0.00 0.00 56.93 56.42 1x2t s PHE 42 Cb -0.15 -2.68 0.12 0.00 -0.57 0.00 0.00 43.02 39.74 1x2t s PHE 42 CO 0.05 -0.65 1.17 1.04 -0.10 0.00 0.00 175.22 176.73 1x2t n GLN 43 N 5.12 1.15 -3.45 0.44 3.00 -1.26 -4.97 117.38 117.41 1x2t n GLN 43 Ca -0.11 -0.91 -0.12 0.00 -0.01 0.00 0.00 57.00 55.85 1x2t n GLN 43 Cb 0.46 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 29.20 1x2t n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1x2t s SER 44 N -2.48 -0.54 0.32 1.08 1.04 -1.26 -5.04 113.70 106.82 1x2t s SER 44 Ca 0.19 -0.04 0.09 0.00 0.48 0.00 0.00 55.95 56.68 1x2t s SER 44 Cb 0.18 0.60 0.55 0.00 0.10 0.00 0.00 66.02 67.44 1x2t s SER 44 CO 0.56 -0.97 1.74 0.77 0.98 0.00 0.00 173.24 176.32 1x2t h SER 45 N 2.02 0.13 -0.48 7.02 4.64 -1.99 -2.29 113.55 122.61 1x2t h SER 45 Ca -0.34 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1x2t h SER 45 Cb 1.30 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1x2t h SER 45 CO 0.38 0.53 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.41 1x2t h GLU 46 N 0.10 0.96 -0.39 4.77 3.07 -1.99 0.18 114.58 121.29 1x2t h GLU 46 Ca 0.01 -0.36 -0.15 0.00 -0.50 0.00 0.00 59.36 58.36 1x2t h GLU 46 Cb 0.78 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1x2t h GLU 46 CO 0.06 1.03 -0.35 1.49 -1.40 0.00 0.00 179.01 179.84 1x2t h GLU 47 N 0.85 0.92 -0.60 2.33 4.81 -1.93 -2.40 114.58 118.56 1x2t h GLU 47 Ca 0.13 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1x2t h GLU 47 Cb 0.69 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1x2t h GLU 47 CO 0.05 1.12 0.28 0.00 -0.73 0.00 0.00 179.01 179.72 1x2t h ALA 48 N 0.83 0.78 -0.67 2.92 0.00 -1.16 -2.14 119.26 119.82 1x2t h ALA 48 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1x2t h ALA 48 Cb 0.94 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1x2t h ALA 48 CO 0.09 0.36 0.40 -0.44 0.00 0.00 0.00 179.25 179.66 1x2t h ASP 49 N 0.83 0.65 -0.00 0.00 3.32 -0.82 0.53 116.42 120.93 1x2t h ASP 49 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1x2t h ASP 49 Cb 0.14 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1x2t h ASP 49 CO -0.02 0.44 0.00 0.15 -1.72 0.00 0.00 179.24 178.09 1x2t h PHE 50 N 0.78 0.00 -0.63 4.55 3.57 -1.10 -2.05 116.94 122.07 1x2t h PHE 50 Ca 0.28 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 1x2t h PHE 50 Cb 0.06 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1x2t h PHE 50 CO -0.05 0.00 0.06 0.28 -2.23 0.00 0.00 178.31 176.37 1x2t h VAL 51 N 0.00 1.26 -0.38 1.41 2.07 -1.11 -1.01 116.25 118.50 1x2t h VAL 51 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1x2t h VAL 51 Cb 0.00 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1x2t h VAL 51 CO -0.00 0.40 0.22 0.58 0.02 0.00 0.00 177.57 178.79 1x2t h VAL 52 N 0.99 1.13 -0.56 2.57 2.07 -0.81 0.13 116.25 121.75 1x2t h VAL 52 Ca 0.19 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1x2t h VAL 52 Cb 0.49 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1x2t h VAL 52 CO 0.02 0.13 0.05 0.50 0.02 0.00 0.00 177.57 178.29 1x2t h LYS 53 N 0.49 0.96 -0.56 1.57 3.64 -1.26 -1.06 116.57 120.36 1x2t h LYS 53 Ca 0.14 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1x2t h LYS 53 Cb 0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1x2t h LYS 53 CO -0.02 0.94 0.29 1.25 -2.27 0.00 0.00 179.45 179.63 1x2t h LEU 54 N 0.85 0.72 -0.34 5.20 5.85 -0.84 0.18 115.31 126.93 1x2t h LEU 54 Ca 0.17 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1x2t h LEU 54 Cb 0.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1x2t h LEU 54 CO 0.02 0.63 0.16 0.00 -0.34 0.00 0.00 178.44 178.91 1x2t h ALA 55 N 1.12 0.44 -0.35 1.25 0.00 -0.54 -1.86 119.26 119.33 1x2t h ALA 55 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1x2t h ALA 55 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1x2t h ALA 55 CO -0.03 0.00 -0.04 0.35 0.00 0.00 0.00 179.25 179.54 1x2t h PHE 56 N 0.41 0.71 0.00 0.00 3.57 -0.89 0.37 116.94 121.11 1x2t h PHE 56 Ca 0.12 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1x2t h PHE 56 Cb 0.12 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1x2t h PHE 56 CO -0.02 0.77 -0.06 1.96 -2.23 0.00 0.00 178.31 178.74 1x2t h GLN 57 N 0.44 0.00 0.02 1.11 4.20 -0.56 0.28 115.11 120.60 1x2t h GLN 57 Ca 0.09 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.47 1x2t h GLN 57 Cb 0.52 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1x2t h GLN 57 CO 0.03 0.06 -1.87 2.41 -0.67 0.00 0.00 178.83 178.78 1x2t n THR 58 N -3.32 1.57 -0.27 -0.54 -1.04 -0.71 -4.73 114.28 105.25 1x2t n THR 58 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1x2t n THR 58 Cb 0.22 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1x2t n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x2t n PHE 59 N -4.12 0.00 -4.52 -1.42 3.72 0.10 -5.10 117.46 106.12 1x2t n PHE 59 Ca -0.40 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 1x2t n PHE 59 Cb 0.83 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1x2t n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x2t n GLY 60 N -0.35 0.22 3.65 1.37 0.00 0.97 -4.72 105.19 106.34 1x2t n GLY 60 Ca 0.00 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1x2t n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x2t s HIS 61 N 0.00 2.59 0.07 1.61 3.76 -1.26 -4.24 115.29 117.82 1x2t s HIS 61 Ca 0.00 0.79 -0.16 0.00 -0.15 0.00 0.00 55.06 55.55 1x2t s HIS 61 Cb 0.00 -3.68 0.05 0.00 1.11 0.00 0.00 32.58 30.07 1x2t s HIS 61 CO 0.00 -2.22 0.73 0.45 -0.85 0.00 0.00 174.74 172.86 1x2t n SER 62 N 7.01 -1.01 -4.49 1.40 2.88 -1.26 -5.00 113.62 113.15 1x2t n SER 62 Ca 0.15 -1.44 -0.33 0.00 -1.33 0.00 0.00 58.87 55.92 1x2t n SER 62 Cb 0.45 1.62 -0.13 0.00 -0.75 0.00 0.00 64.21 65.40 1x2t n SER 62 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1x2t s ILE 63 N -2.17 3.25 -0.05 2.46 -4.36 -1.26 -1.27 121.20 117.79 1x2t s ILE 63 Ca 0.17 -0.64 0.02 0.00 -0.26 0.00 0.00 60.65 59.94 1x2t s ILE 63 Cb -0.01 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.40 1x2t s ILE 63 CO 0.02 0.58 -0.12 -0.36 0.24 0.00 0.00 174.94 175.30 1x2t s PHE 64 N -0.53 1.35 0.44 1.37 0.40 0.28 -2.09 117.98 119.20 1x2t s PHE 64 Ca 0.07 -0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 55.70 1x2t s PHE 64 Cb -0.12 -0.99 -0.08 0.00 0.51 0.00 0.00 43.02 42.35 1x2t s PHE 64 CO 0.02 -0.23 1.29 -1.58 0.70 0.00 0.00 175.22 175.42 1x2t s TRP 65 N 0.54 2.72 0.29 0.36 0.23 -0.28 -1.10 118.94 121.71 1x2t s TRP 65 Ca -0.11 1.42 0.10 0.00 -2.03 0.00 0.00 56.10 55.48 1x2t s TRP 65 Cb -0.14 -3.65 -0.05 0.00 0.03 0.00 0.00 33.47 29.65 1x2t s TRP 65 CO 0.03 -2.17 -0.09 -1.64 0.96 0.00 0.00 176.95 174.04 1x2t s MET 66 N -2.44 1.96 0.00 4.98 -1.94 -0.21 -3.77 119.30 117.89 1x2t s MET 66 Ca 0.61 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1x2t s MET 66 Cb -0.37 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1x2t s MET 66 CO 0.47 0.29 1.13 0.41 -0.01 0.00 0.00 175.02 177.30 1x2t n GLY 67 N -0.79 1.69 3.12 -0.03 0.00 0.87 -4.56 105.19 105.49 1x2t n GLY 67 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1x2t n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x2t s LEU 68 N 0.00 2.15 0.34 0.99 2.96 -1.26 -4.99 118.68 118.87 1x2t s LEU 68 Ca 0.00 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1x2t s LEU 68 Cb 0.00 -1.48 -0.07 0.00 0.50 0.00 0.00 46.19 45.14 1x2t s LEU 68 CO 0.00 -0.00 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.04 1x2t s SER 69 N 1.29 3.42 -1.41 3.68 1.04 -1.26 -1.52 113.70 118.93 1x2t s SER 69 Ca 0.05 -1.25 -0.08 0.00 0.48 0.00 0.00 55.95 55.15 1x2t s SER 69 Cb -0.13 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.71 1x2t s SER 69 CO -0.13 -0.33 0.16 0.59 0.98 0.00 0.00 173.24 174.52 1x2t n ASN 70 N -0.77 -0.26 0.30 7.02 4.13 -0.76 -4.82 115.26 120.10 1x2t n ASN 70 Ca -0.05 -1.24 0.18 0.00 1.68 0.00 0.00 54.58 55.15 1x2t n ASN 70 Cb 0.64 -1.53 0.91 0.00 -1.54 0.00 0.00 39.78 38.27 1x2t n ASN 70 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1x2t h VAL 71 N -1.87 0.23 0.00 2.41 -1.51 -1.75 -3.14 116.25 110.62 1x2t h VAL 71 Ca -0.65 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1x2t h VAL 71 Cb 1.35 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1x2t h VAL 71 CO 0.64 0.04 0.00 0.79 -1.23 0.00 0.00 177.57 177.81 1x2t n TRP 72 N -3.33 0.00 0.01 5.19 8.01 -1.26 -4.73 117.44 121.33 1x2t n TRP 72 Ca -0.02 -0.29 -0.02 0.00 -1.31 0.00 0.00 57.50 55.86 1x2t n TRP 72 Cb 0.18 -0.03 0.25 0.00 -2.01 0.00 0.00 31.31 29.70 1x2t n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1x2t h ASN 73 N 0.00 0.49 0.27 -0.99 4.21 -1.89 -2.82 115.58 114.85 1x2t h ASN 73 Ca 0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1x2t h ASN 73 Cb 0.38 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1x2t h ASN 73 CO 0.00 0.65 -0.15 0.00 -1.29 0.00 0.00 177.43 176.64 1x2t n GLN 74 N -4.20 0.85 -1.28 0.81 6.02 -1.26 -4.94 117.38 113.38 1x2t n GLN 74 Ca 0.01 -0.39 -0.33 0.00 -0.01 0.00 0.00 57.00 56.28 1x2t n GLN 74 Cb 0.33 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.20 1x2t n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x2t s ASN 76 N -2.51 6.74 -0.08 0.00 2.47 -1.26 -5.00 114.94 115.30 1x2t s ASN 76 Ca 0.69 -2.30 -0.30 0.00 0.42 0.00 0.00 52.86 51.37 1x2t s ASN 76 Cb -0.24 -2.38 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 1x2t s ASN 76 CO 0.49 -0.95 1.07 0.26 -3.72 0.00 0.00 177.10 174.25 1x2t s TRP 77 N 2.23 3.41 0.02 0.43 0.52 -1.26 -5.03 118.94 119.26 1x2t s TRP 77 Ca 0.34 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.95 1x2t s TRP 77 Cb -0.05 -3.27 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1x2t s TRP 77 CO -0.08 -0.59 -0.07 -0.65 0.02 0.00 0.00 176.95 175.59 1x2t s GLN 78 N 2.01 0.49 0.20 4.98 -0.21 -1.26 -4.81 119.66 121.06 1x2t s GLN 78 Ca 0.51 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1x2t s GLN 78 Cb -0.21 -0.35 -0.08 0.00 1.00 0.00 0.00 33.01 33.37 1x2t s GLN 78 CO 0.20 0.08 0.93 -1.58 -2.12 0.00 0.00 175.29 172.80 1x2t s TRP 79 N -0.84 3.94 0.43 0.91 0.52 -1.26 -4.94 118.94 117.71 1x2t s TRP 79 Ca -0.05 1.87 0.39 0.00 0.02 0.00 0.00 56.10 58.33 1x2t s TRP 79 Cb -0.07 -2.98 1.94 0.00 -1.15 0.00 0.00 33.47 31.21 1x2t s TRP 79 CO 0.00 0.40 2.20 0.66 0.02 0.00 0.00 176.95 180.23 1x2t h SER 80 N 4.53 0.00 -0.25 2.95 4.64 -2.01 -1.26 113.55 122.15 1x2t h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1x2t h SER 80 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x2t h SER 80 CO 0.69 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.20 1x2t n ASN 81 N -3.15 1.65 0.00 4.97 6.94 -1.26 -4.90 115.26 119.50 1x2t n ASN 81 Ca -0.02 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 1x2t n ASN 81 Cb 0.17 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1x2t n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x2t n ALA 82 N 0.36 0.00 -1.77 -2.53 0.00 -0.48 -5.01 120.51 111.09 1x2t n ALA 82 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 1x2t n ALA 82 Cb 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1x2t n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2t s ALA 83 N -2.38 2.97 0.37 0.00 0.00 -1.26 -4.94 121.76 116.52 1x2t s ALA 83 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1x2t s ALA 83 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1x2t s ALA 83 CO 0.00 -0.82 1.06 1.41 0.00 0.00 0.00 175.76 177.40 1x2t s MET 84 N -2.68 4.28 -0.30 0.00 -2.45 -1.26 -4.00 119.30 112.88 1x2t s MET 84 Ca 0.64 1.57 -0.29 0.00 -1.25 0.00 0.00 55.69 56.37 1x2t s MET 84 Cb -0.32 -2.70 0.00 0.00 1.25 0.00 0.00 34.83 33.06 1x2t s MET 84 CO 0.39 -0.05 1.27 -1.17 1.05 0.00 0.00 175.02 176.51 1x2t s LEU 85 N -2.35 3.89 0.00 4.11 2.96 -1.26 -4.77 118.68 121.25 1x2t s LEU 85 Ca 0.54 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1x2t s LEU 85 Cb -0.24 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1x2t s LEU 85 CO 0.31 -1.05 0.00 0.54 -1.32 0.00 0.00 176.35 174.82 1x2t n ARG 86 N 7.26 0.00 -1.92 1.98 1.74 -1.26 -5.07 116.66 119.39 1x2t n ARG 86 Ca 0.14 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1x2t n ARG 86 Cb 0.47 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.91 1x2t n ARG 86 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1x2t s TYR 87 N -0.76 2.63 0.00 -1.55 5.04 -1.26 -5.02 117.35 116.43 1x2t s TYR 87 Ca 0.00 1.33 0.02 0.00 -2.44 0.00 0.00 57.07 55.98 1x2t s TYR 87 Cb 0.00 -3.80 -0.01 0.00 0.35 0.00 0.00 41.96 38.50 1x2t s TYR 87 CO 0.00 -2.54 -0.05 0.15 -1.34 0.00 0.00 175.55 171.77 1x2t s LYS 88 N -2.36 0.43 -0.29 4.97 1.02 -1.26 -5.05 119.74 117.20 1x2t s LYS 88 Ca 0.59 -0.28 0.20 0.00 0.02 0.00 0.00 55.97 56.51 1x2t s LYS 88 Cb -0.41 -0.37 0.48 0.00 -0.52 0.00 0.00 37.83 37.01 1x2t s LYS 88 CO 0.53 0.10 1.14 0.00 -0.92 0.00 0.00 175.35 176.19 1x2t n ALA 89 N 2.70 2.73 -1.79 5.17 0.00 -1.26 -5.11 120.51 122.95 1x2t n ALA 89 Ca -0.14 -2.56 -0.41 0.00 0.00 0.00 0.00 53.44 50.32 1x2t n ALA 89 Cb 0.58 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1x2t n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1x2t s TRP 90 N -3.07 2.82 0.16 0.00 0.51 -1.26 -4.92 118.94 113.18 1x2t s TRP 90 Ca 0.25 1.18 -0.02 0.00 -2.12 0.00 0.00 56.10 55.39 1x2t s TRP 90 Cb 0.37 -3.89 -0.01 0.00 -0.81 0.00 0.00 33.47 29.13 1x2t s TRP 90 CO -0.04 -2.65 1.38 0.00 -0.51 0.00 0.00 176.95 175.13 1x2t h ALA 91 N 3.68 0.50 -3.60 0.98 0.00 -2.05 -3.44 119.26 115.32 1x2t h ALA 91 Ca -0.49 -0.67 -0.39 0.00 0.00 0.00 0.00 54.91 53.36 1x2t h ALA 91 Cb 1.23 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1x2t h ALA 91 CO 0.69 0.81 -0.78 -1.21 0.00 0.00 0.00 179.25 178.76 1x2t s GLU 92 N -3.40 0.79 0.15 0.00 0.41 -1.26 -5.06 118.70 110.32 1x2t s GLU 92 Ca -0.05 -0.73 0.17 0.00 -0.41 0.00 0.00 54.97 53.95 1x2t s GLU 92 Cb 0.10 -0.75 -0.05 0.00 -1.78 0.00 0.00 34.13 31.65 1x2t s GLU 92 CO 0.85 0.18 1.06 0.93 -0.49 0.00 0.00 175.26 177.78 1x2t h GLU 93 N 4.85 0.00 -1.94 1.61 4.39 -2.03 -3.48 114.58 117.99 1x2t h GLU 93 Ca -0.37 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 1x2t h GLU 93 Cb 1.19 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.63 1x2t h GLU 93 CO 0.43 0.31 0.22 -1.54 -1.16 0.00 0.00 179.01 177.27 1x2t s SER 94 N -5.95 -0.65 0.11 1.42 1.04 -1.26 -4.88 113.70 103.52 1x2t s SER 94 Ca -0.00 0.96 0.08 0.00 0.48 0.00 0.00 55.95 57.47 1x2t s SER 94 Cb 0.08 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 1x2t s SER 94 CO 0.79 -0.43 -0.17 -0.31 0.98 0.00 0.00 173.24 174.10 1x2t s TYR 95 N -0.55 2.58 0.23 5.02 1.51 -1.26 -1.88 117.35 123.00 1x2t s TYR 95 Ca -0.05 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1x2t s TYR 95 Cb -0.02 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 1x2t s TYR 95 CO 0.05 0.38 -0.07 0.00 -1.11 0.00 0.00 175.55 174.81 1x2t s VAL 97 N -3.15 5.25 0.20 0.00 1.01 -0.58 -1.31 120.40 121.83 1x2t s VAL 97 Ca 0.26 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1x2t s VAL 97 Cb 0.03 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1x2t s VAL 97 CO 0.09 0.51 0.28 -0.72 0.00 0.00 0.00 175.10 175.26 1x2t s TYR 98 N -1.11 0.68 0.09 5.22 1.13 0.13 -1.04 117.35 122.45 1x2t s TYR 98 Ca 0.19 -1.00 0.05 0.00 -1.41 0.00 0.00 57.07 54.90 1x2t s TYR 98 Cb -0.12 -0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.53 1x2t s TYR 98 CO 0.09 -0.77 -0.12 -0.59 -2.51 0.00 0.00 175.55 171.64 1x2t s PHE 99 N -4.06 1.17 -0.14 -3.49 -0.71 -0.25 -0.99 117.98 109.51 1x2t s PHE 99 Ca 0.27 -0.54 -0.09 0.00 -1.04 0.00 0.00 56.93 55.53 1x2t s PHE 99 Cb 0.03 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 1x2t s PHE 99 CO 0.07 0.05 0.16 0.21 -1.34 0.00 0.00 175.22 174.37 1x2t s LYS 100 N -2.25 3.73 0.00 1.99 2.20 -1.26 -0.56 119.74 123.59 1x2t s LYS 100 Ca 0.02 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1x2t s LYS 100 Cb -0.07 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1x2t s LYS 100 CO 0.02 0.60 0.04 -1.13 -0.36 0.00 0.00 175.35 174.52 1x2t n SER 101 N 2.52 0.03 -0.06 1.43 3.41 -0.40 -2.19 113.62 118.36 1x2t n SER 101 Ca -0.18 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 1x2t n SER 101 Cb 0.54 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 1x2t n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x2t n THR 102 N -0.00 1.37 -3.87 6.66 -2.24 -1.26 -4.57 114.28 110.37 1x2t n THR 102 Ca 0.00 -0.81 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1x2t n THR 102 Cb 0.01 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1x2t n THR 102 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x2t s ASN 103 N -5.65 -0.16 -0.10 3.42 2.20 -0.93 -5.06 114.94 108.66 1x2t s ASN 103 Ca -0.08 -0.78 0.08 0.00 -0.94 0.00 0.00 52.86 51.14 1x2t s ASN 103 Cb 0.07 0.74 0.40 0.00 -2.00 0.00 0.00 41.25 40.47 1x2t s ASN 103 CO 0.83 -1.41 1.16 -0.46 -2.94 0.00 0.00 177.10 174.28 1x2t n ASN 104 N -0.70 3.16 -4.79 3.54 0.23 -1.26 -4.30 115.26 111.14 1x2t n ASN 104 Ca -0.05 -2.39 -0.36 0.00 -0.53 0.00 0.00 54.58 51.26 1x2t n ASN 104 Cb 0.60 -0.53 -0.04 0.00 -2.08 0.00 0.00 39.78 37.72 1x2t n ASN 104 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1x2t s LYS 105 N -1.82 4.11 0.06 -3.83 -0.14 -1.26 -5.03 119.74 111.83 1x2t s LYS 105 Ca 0.27 1.44 -0.22 0.00 -1.36 0.00 0.00 55.97 56.11 1x2t s LYS 105 Cb 0.20 -2.43 -0.06 0.00 -1.68 0.00 0.00 37.83 33.85 1x2t s LYS 105 CO 0.10 -0.18 0.65 -1.58 -0.76 0.00 0.00 175.35 173.57 1x2t s TRP 106 N -1.76 3.78 0.10 3.18 0.52 -1.26 -4.51 118.94 118.99 1x2t s TRP 106 Ca 0.60 1.35 0.03 0.00 0.02 0.00 0.00 56.10 58.10 1x2t s TRP 106 Cb -0.20 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.45 1x2t s TRP 106 CO 0.25 0.46 -0.08 1.03 0.02 0.00 0.00 176.95 178.63 1x2t s ARG 107 N -0.70 0.83 0.01 4.98 0.52 -0.16 -4.99 118.95 119.44 1x2t s ARG 107 Ca 0.32 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1x2t s ARG 107 Cb -0.20 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 1x2t s ARG 107 CO 0.20 0.02 -0.13 -1.54 0.02 0.00 0.00 175.30 173.88 1x2t s SER 108 N -2.75 4.17 -0.08 0.23 1.04 -1.26 -0.69 113.70 114.36 1x2t s SER 108 Ca 0.08 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 1x2t s SER 108 Cb 0.01 -0.84 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1x2t s SER 108 CO -0.02 0.28 0.29 -0.60 0.98 0.00 0.00 173.24 174.16 1x2t s ARG 109 N -1.35 0.45 0.15 4.02 3.52 -0.43 -4.96 118.95 120.35 1x2t s ARG 109 Ca 0.15 0.18 -0.34 0.00 -0.13 0.00 0.00 55.73 55.59 1x2t s ARG 109 Cb -0.11 0.21 -0.13 0.00 -1.56 0.00 0.00 34.95 33.36 1x2t s ARG 109 CO 0.06 -0.09 1.62 0.00 -0.81 0.00 0.00 175.30 176.08 1x2t n ALA 110 N 2.34 1.55 0.10 6.12 0.00 -1.26 -0.48 120.51 128.86 1x2t n ALA 110 Ca -0.16 0.43 0.17 0.00 0.00 0.00 0.00 53.44 53.88 1x2t n ALA 110 Cb 0.57 -2.39 0.71 0.00 0.00 0.00 0.00 19.45 18.34 1x2t n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2t h ARG 112 N 0.00 0.00 -7.54 0.00 0.11 -1.88 -2.47 114.38 102.59 1x2t h ARG 112 Ca 0.17 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.77 1x2t h ARG 112 Cb 0.71 0.00 0.10 0.00 1.11 0.00 0.00 29.97 31.88 1x2t h ARG 112 CO -0.00 0.00 0.40 -1.64 0.10 0.00 0.00 179.97 178.83 1x2t s MET 113 N -3.50 2.24 0.27 0.08 -1.94 -0.53 -4.75 119.30 111.16 1x2t s MET 113 Ca 0.03 0.29 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1x2t s MET 113 Cb 0.09 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.92 1x2t s MET 113 CO 0.53 -1.44 0.46 -1.64 -0.01 0.00 0.00 175.02 172.92 1x2t s MET 114 N -5.45 3.51 -0.16 2.03 -1.94 -1.26 -3.94 119.30 112.09 1x2t s MET 114 Ca 0.61 -0.36 -0.32 0.00 -1.71 0.00 0.00 55.69 53.91 1x2t s MET 114 Cb -0.12 -2.76 0.14 0.00 2.01 0.00 0.00 34.83 34.10 1x2t s MET 114 CO 0.51 0.29 1.12 0.00 -0.01 0.00 0.00 175.02 176.93 1x2t s ALA 115 N -2.07 -2.00 1.12 3.03 0.00 -0.79 -4.87 121.76 116.18 1x2t s ALA 115 Ca 0.39 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.74 1x2t s ALA 115 Cb -0.10 -0.38 0.20 0.00 0.00 0.00 0.00 23.12 22.85 1x2t s ALA 115 CO 0.32 -0.49 0.86 1.04 0.00 0.00 0.00 175.76 177.49 1x2t n GLN 116 N 0.17 -2.02 -3.80 0.00 6.02 -0.89 -2.14 117.38 114.73 1x2t n GLN 116 Ca -0.04 -1.36 -0.04 0.00 -0.01 0.00 0.00 57.00 55.55 1x2t n GLN 116 Cb 0.59 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 1x2t n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1x2t s PHE 117 N -2.69 -0.09 -0.05 1.08 -0.71 -1.16 -1.12 117.98 113.24 1x2t s PHE 117 Ca 0.53 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 1x2t s PHE 117 Cb -0.04 0.68 0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1x2t s PHE 117 CO 0.40 -0.98 -0.10 0.08 -1.34 0.00 0.00 175.22 173.27 1x2t s VAL 118 N -3.16 0.97 0.18 -2.49 1.01 -1.25 -0.24 120.40 115.43 1x2t s VAL 118 Ca 0.14 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1x2t s VAL 118 Cb -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1x2t s VAL 118 CO 0.04 0.31 0.32 0.00 0.00 0.00 0.00 175.10 175.78 1x2t s GLU 120 N -3.48 0.54 0.03 0.00 2.12 0.11 -1.88 118.70 116.15 1x2t s GLU 120 Ca 0.35 -0.15 -0.20 0.00 0.36 0.00 0.00 54.97 55.32 1x2t s GLU 120 Cb -0.10 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.57 1x2t s GLU 120 CO 0.29 -0.13 0.46 -0.59 -0.54 0.00 0.00 175.26 174.74 1x2t s PHE 121 N -1.06 -0.34 -0.19 5.30 -0.12 -0.84 -1.38 117.98 119.35 1x2t s PHE 121 Ca -0.11 0.40 -0.23 0.00 -0.05 0.00 0.00 56.93 56.93 1x2t s PHE 121 Cb -0.05 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1x2t s PHE 121 CO 0.03 -0.57 0.74 -1.14 -0.05 0.00 0.00 175.22 174.23 1x2t s GLN 122 N -2.17 4.24 0.00 1.99 0.74 -1.26 -0.88 119.66 122.32 1x2t s GLN 122 Ca -0.07 0.83 0.17 0.00 0.05 0.00 0.00 55.36 56.34 1x2t s GLN 122 Cb -0.01 -3.59 1.04 0.00 1.10 0.00 0.00 33.01 31.55 1x2t s GLN 122 CO 0.00 -0.32 1.44 0.00 -0.55 0.00 0.00 175.29 175.86