#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2t s PRO 3 N -3.97 0.93 0.20 0.00 0.02 -1.26 -4.84 135.00 126.07 1x2t s PRO 3 Ca 0.60 1.36 -0.32 0.00 0.02 0.00 0.00 61.00 62.66 1x2t s PRO 3 Cb -0.21 -1.73 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 1x2t s PRO 3 CO 0.64 -2.63 1.34 0.45 -0.33 0.00 0.00 177.00 176.48 1x2t n SER 4 N -4.21 2.25 0.00 2.53 2.88 -1.26 -1.39 113.62 114.41 1x2t n SER 4 Ca 0.10 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1x2t n SER 4 Cb 0.53 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1x2t n SER 4 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x2t n ASP 5 N 2.30 0.00 -4.92 -3.46 8.00 -1.26 -5.02 116.55 112.19 1x2t n ASP 5 Ca 0.14 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 1x2t n ASP 5 Cb 0.28 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 1x2t n ASP 5 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x2t s TRP 6 N -3.27 3.48 0.00 1.24 0.52 -0.49 -4.85 118.94 115.58 1x2t s TRP 6 Ca 0.00 0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.56 1x2t s TRP 6 Cb 0.00 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1x2t s TRP 6 CO 0.00 0.43 -0.14 -1.12 0.02 0.00 0.00 176.95 176.14 1x2t s SER 7 N -2.86 4.08 -0.01 2.95 0.01 0.55 -4.73 113.70 113.68 1x2t s SER 7 Ca 0.39 -0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 1x2t s SER 7 Cb -0.12 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.26 1x2t s SER 7 CO 0.28 0.29 0.39 -0.55 0.41 0.00 0.00 173.24 174.05 1x2t s SER 8 N -1.21 6.77 -0.27 2.44 0.15 -1.26 -0.84 113.70 119.48 1x2t s SER 8 Ca 0.14 0.92 -0.09 0.00 0.70 0.00 0.00 55.95 57.63 1x2t s SER 8 Cb -0.11 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.09 1x2t s SER 8 CO 0.04 0.32 0.58 -0.47 1.20 0.00 0.00 173.24 174.91 1x2t s TYR 9 N -1.03 -1.19 -1.23 3.44 5.04 -0.61 -5.00 117.35 116.78 1x2t s TYR 9 Ca 0.23 2.06 -0.35 0.00 -2.44 0.00 0.00 57.07 56.57 1x2t s TYR 9 Cb -0.16 0.64 0.05 0.00 0.35 0.00 0.00 41.96 42.84 1x2t s TYR 9 CO 0.13 -0.62 0.66 0.39 -1.34 0.00 0.00 175.55 174.77 1x2t n GLU 10 N 5.43 -0.20 -0.52 4.97 1.02 -1.26 -1.40 120.64 128.69 1x2t n GLU 10 Ca -0.11 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1x2t n GLU 10 Cb 0.49 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 -2.13 1.67 3.61 0.62 0.00 -1.26 -5.00 105.19 102.70 1x2t n GLY 11 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.25 2.51 -0.05 1.61 3.76 -0.49 -1.54 115.29 117.84 1x2t s HIS 12 Ca 0.00 -0.45 0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1x2t s HIS 12 Cb 0.00 -1.44 -0.02 0.00 1.11 0.00 0.00 32.58 32.23 1x2t s HIS 12 CO 0.00 0.51 -0.23 0.00 -0.85 0.00 0.00 174.74 174.17 1x2t s TYR 14 N -0.35 1.14 -0.25 0.00 1.51 -0.02 -1.70 117.35 117.68 1x2t s TYR 14 Ca 0.02 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.45 1x2t s TYR 14 Cb -0.12 -0.63 0.10 0.00 -0.11 0.00 0.00 41.96 41.19 1x2t s TYR 14 CO 0.02 0.04 0.56 0.21 -1.11 0.00 0.00 175.55 175.27 1x2t s LYS 15 N -2.11 0.51 0.27 -0.62 2.20 -0.74 -0.33 119.74 118.92 1x2t s LYS 15 Ca 0.00 1.19 -0.22 0.00 -0.36 0.00 0.00 55.97 56.58 1x2t s LYS 15 Cb -0.08 0.41 -0.09 0.00 -1.51 0.00 0.00 37.83 36.57 1x2t s LYS 15 CO 0.02 -0.19 0.82 -1.25 -0.36 0.00 0.00 175.35 174.38 1x2t s PRO 16 N 2.28 4.39 0.13 4.03 0.04 -1.26 -1.23 135.00 143.38 1x2t s PRO 16 Ca -0.06 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.14 1x2t s PRO 16 Cb -0.10 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1x2t s PRO 16 CO -0.17 0.34 -0.23 -0.06 0.04 0.00 0.00 177.00 176.92 1x2t s PHE 17 N -1.57 2.03 -0.19 0.56 0.40 0.32 -4.97 117.98 114.54 1x2t s PHE 17 Ca 0.46 -0.40 0.22 0.00 -0.60 0.00 0.00 56.93 56.61 1x2t s PHE 17 Cb -0.17 -1.09 -0.20 0.00 0.51 0.00 0.00 43.02 42.07 1x2t s PHE 17 CO 0.22 0.29 0.71 -1.13 0.70 0.00 0.00 175.22 176.01 1x2t n SER 18 N 0.88 0.35 -4.65 1.36 3.41 -1.26 -3.29 113.62 110.41 1x2t n SER 18 Ca -0.18 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 1x2t n SER 18 Cb 0.54 1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 65.86 1x2t n SER 18 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x2t s GLU 19 N -3.42 4.12 0.22 4.33 8.01 -1.26 -4.80 118.70 125.90 1x2t s GLU 19 Ca -0.04 1.87 -0.30 0.00 0.01 0.00 0.00 54.97 56.52 1x2t s GLU 19 Cb 0.13 -3.91 -0.09 0.00 -4.31 0.00 0.00 34.13 25.95 1x2t s GLU 19 CO 0.86 -0.89 1.25 -2.14 0.01 0.00 0.00 175.26 174.35 1x2t s PRO 20 N 3.96 4.45 0.10 0.39 0.02 -1.26 -4.67 135.00 137.99 1x2t s PRO 20 Ca 0.66 1.98 -0.08 0.00 0.02 0.00 0.00 61.00 63.58 1x2t s PRO 20 Cb -0.27 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1x2t s PRO 20 CO 0.24 -0.14 0.20 0.15 -0.33 0.00 0.00 177.00 177.12 1x2t s LYS 21 N -0.48 0.89 0.95 5.54 1.02 -0.78 -4.80 119.74 122.08 1x2t s LYS 21 Ca 0.53 -1.02 -0.14 0.00 0.02 0.00 0.00 55.97 55.36 1x2t s LYS 21 Cb -0.35 0.34 0.17 0.00 -0.52 0.00 0.00 37.83 37.47 1x2t s LYS 21 CO 0.40 -0.29 1.19 0.54 -0.92 0.00 0.00 175.35 176.27 1x2t s ASN 22 N -2.89 3.16 0.11 2.83 2.20 -1.25 -1.76 114.94 117.34 1x2t s ASN 22 Ca 0.08 0.68 -0.25 0.00 -0.94 0.00 0.00 52.86 52.43 1x2t s ASN 22 Cb 0.05 -1.04 -0.08 0.00 -2.00 0.00 0.00 41.25 38.18 1x2t s ASN 22 CO -0.09 -2.74 1.67 -0.25 -2.94 0.00 0.00 177.10 172.76 1x2t h TRP 23 N -1.63 -0.42 -0.60 1.54 7.01 -1.50 -1.13 115.95 119.21 1x2t h TRP 23 Ca -0.47 0.01 0.05 0.00 2.11 0.00 0.00 58.89 60.59 1x2t h TRP 23 Cb 1.30 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 28.49 1x2t h TRP 23 CO -0.50 -0.24 0.32 0.00 -2.79 0.00 0.00 178.44 175.24 1x2t h ALA 24 N 0.59 0.79 -0.21 2.65 0.00 -1.93 -0.36 119.26 120.79 1x2t h ALA 24 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1x2t h ALA 24 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1x2t h ALA 24 CO -0.12 -0.02 -0.36 -0.44 0.00 0.00 0.00 179.25 178.32 1x2t h ASP 25 N 0.60 0.46 -0.09 0.00 3.32 -1.89 -0.88 116.42 117.94 1x2t h ASP 25 Ca 0.27 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1x2t h ASP 25 Cb 0.17 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1x2t h ASP 25 CO -0.18 0.78 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 1x2t h ALA 26 N 1.25 0.12 -0.51 3.45 0.00 -0.62 -0.18 119.26 122.77 1x2t h ALA 26 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x2t h ALA 26 Cb 0.80 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x2t h ALA 26 CO 0.06 -0.20 0.33 1.49 0.00 0.00 0.00 179.25 180.94 1x2t h GLU 27 N -0.11 0.65 -0.44 0.00 4.57 -0.97 -0.87 114.58 117.40 1x2t h GLU 27 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1x2t h GLU 27 Cb 0.34 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1x2t h GLU 27 CO 0.00 0.43 0.28 -0.97 -1.18 0.00 0.00 179.01 177.58 1x2t h ASN 28 N 0.67 0.52 -0.68 1.04 -1.24 -1.07 -2.21 115.58 112.60 1x2t h ASN 28 Ca 0.19 -0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.23 1x2t h ASN 28 Cb -0.06 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.81 1x2t h ASN 28 CO -0.05 0.39 0.39 0.15 -1.29 0.00 0.00 177.43 177.02 1x2t h PHE 29 N 0.60 0.71 -0.72 0.67 3.04 -0.57 -2.08 116.94 118.59 1x2t h PHE 29 Ca 0.16 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1x2t h PHE 29 Cb -0.05 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.21 1x2t h PHE 29 CO -0.04 0.35 0.40 0.00 -2.02 0.00 0.00 178.31 176.99 1x2t h THR 31 N 1.01 0.16 0.00 0.00 1.35 -0.80 -2.36 112.91 112.27 1x2t h THR 31 Ca 0.26 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1x2t h THR 31 Cb 0.03 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1x2t h THR 31 CO -0.04 0.04 -0.61 0.00 -0.25 0.00 0.00 175.52 174.66 1x2t n GLN 32 N -3.24 0.00 0.19 4.72 6.02 -0.63 -4.13 117.38 120.31 1x2t n GLN 32 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.07 1x2t n GLN 32 Cb 0.21 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.09 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 0.00 0.00 -1.09 -1.09 1.08 -1.15 -3.47 115.11 109.38 1x2t h GLN 33 Ca 0.00 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.46 1x2t h GLN 33 Cb 0.50 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.68 1x2t h GLN 33 CO 0.00 0.16 0.94 -1.58 -0.95 0.00 0.00 178.83 177.40 1x2t s HIS 34 N -3.13 -0.05 0.27 2.96 2.46 -1.25 -5.06 115.29 111.49 1x2t s HIS 34 Ca 0.06 0.07 -0.31 0.00 0.47 0.00 0.00 55.06 55.35 1x2t s HIS 34 Cb 0.06 0.50 -0.12 0.00 -0.13 0.00 0.00 32.58 32.88 1x2t s HIS 34 CO 0.70 -0.05 1.55 0.00 -2.47 0.00 0.00 174.74 174.46 1x2t n ALA 35 N 0.37 2.11 -1.01 1.58 0.00 -1.26 -1.01 120.51 121.29 1x2t n ALA 35 Ca 0.01 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 1x2t n ALA 35 Cb 0.58 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 2.28 0.47 3.76 0.00 0.00 -1.26 -4.76 105.19 105.67 1x2t n GLY 36 Ca 0.10 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.20 3.05 0.23 -0.02 0.00 -0.18 -4.44 107.32 103.76 1x2t s GLY 37 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 44.72 45.42 1x2t s GLY 37 CO 0.00 1.50 0.58 0.30 0.00 0.00 0.00 173.10 175.48 1x2t s HIS 38 N -1.08 -0.03 0.62 1.90 3.76 -0.65 -3.24 115.29 116.57 1x2t s HIS 38 Ca 0.45 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.83 1x2t s HIS 38 Cb -0.31 0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.80 1x2t s HIS 38 CO 0.40 -1.04 1.24 -0.51 -0.85 0.00 0.00 174.74 173.98 1x2t s LEU 39 N -2.92 3.60 0.37 0.89 1.43 -1.26 -0.74 118.68 120.05 1x2t s LEU 39 Ca 0.13 2.46 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1x2t s LEU 39 Cb -0.03 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.48 1x2t s LEU 39 CO 0.03 -1.78 1.51 0.55 0.23 0.00 0.00 176.35 176.89 1x2t n VAL 40 N -1.79 1.84 -5.09 -1.59 3.14 0.01 -4.10 118.33 110.75 1x2t n VAL 40 Ca 0.14 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.74 1x2t n VAL 40 Cb 0.49 -1.99 -0.15 0.00 -1.06 0.00 0.00 33.84 31.12 1x2t n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x2t s SER 41 N -0.02 3.44 -0.62 6.55 1.04 -1.26 -0.32 113.70 122.52 1x2t s SER 41 Ca 0.55 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 1x2t s SER 41 Cb -0.47 -1.05 0.16 0.00 0.10 0.00 0.00 66.02 64.75 1x2t s SER 41 CO 0.61 0.24 0.53 -0.36 0.98 0.00 0.00 173.24 175.25 1x2t s PHE 42 N -0.12 3.46 -1.02 5.02 0.08 -1.26 -4.87 117.98 119.27 1x2t s PHE 42 Ca -0.04 -1.79 0.27 0.00 0.12 0.00 0.00 56.93 55.49 1x2t s PHE 42 Cb -0.14 -3.67 0.78 0.00 -0.57 0.00 0.00 43.02 39.42 1x2t s PHE 42 CO 0.04 -0.99 1.61 1.04 -0.10 0.00 0.00 175.22 176.82 1x2t n GLN 43 N 4.61 0.02 -3.67 0.44 3.00 -1.26 -4.91 117.38 115.62 1x2t n GLN 43 Ca -0.02 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1x2t n GLN 43 Cb 0.42 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.10 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 -2.99 -0.24 0.35 1.08 1.04 -1.26 -5.04 113.70 106.65 1x2t s SER 44 Ca 0.13 -0.14 0.10 0.00 0.48 0.00 0.00 55.95 56.51 1x2t s SER 44 Cb 0.18 0.43 0.67 0.00 0.10 0.00 0.00 66.02 67.40 1x2t s SER 44 CO 0.63 -0.72 1.82 0.77 0.98 0.00 0.00 173.24 176.73 1x2t h SER 45 N 2.83 0.16 -0.32 7.02 4.64 -1.99 -2.29 113.55 123.60 1x2t h SER 45 Ca -0.32 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 1x2t h SER 45 Cb 1.22 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1x2t h SER 45 CO 0.45 0.46 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.31 1x2t h GLU 46 N 0.15 0.81 -0.37 4.77 3.07 -1.99 -0.57 114.58 120.44 1x2t h GLU 46 Ca 0.02 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.49 1x2t h GLU 46 Cb 0.59 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1x2t h GLU 46 CO 0.04 0.96 0.03 1.49 -1.40 0.00 0.00 179.01 180.13 1x2t h GLU 47 N 0.70 0.64 -0.57 2.33 4.81 -1.92 -1.88 114.58 118.69 1x2t h GLU 47 Ca 0.09 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1x2t h GLU 47 Cb 0.76 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1x2t h GLU 47 CO 0.06 0.73 0.31 0.00 -0.73 0.00 0.00 179.01 179.38 1x2t h ALA 48 N 0.89 0.75 -0.20 2.92 0.00 -1.17 -1.05 119.26 121.39 1x2t h ALA 48 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1x2t h ALA 48 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1x2t h ALA 48 CO 0.01 -0.02 0.02 -0.44 0.00 0.00 0.00 179.25 178.82 1x2t h ASP 49 N 0.59 -0.04 -0.20 0.00 3.32 -0.84 0.41 116.42 119.66 1x2t h ASP 49 Ca 0.25 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.38 1x2t h ASP 49 Cb 0.14 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1x2t h ASP 49 CO -0.16 0.01 -0.03 0.15 -1.72 0.00 0.00 179.24 177.48 1x2t h PHE 50 N 0.09 -0.08 -0.44 4.55 3.57 -0.73 -1.51 116.94 122.39 1x2t h PHE 50 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1x2t h PHE 50 Cb 0.10 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1x2t h PHE 50 CO -0.16 -0.07 0.07 0.28 -2.23 0.00 0.00 178.31 176.20 1x2t h VAL 51 N 0.02 1.24 -0.56 1.41 2.07 -0.91 -0.93 116.25 118.58 1x2t h VAL 51 Ca 0.09 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1x2t h VAL 51 Cb 0.14 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1x2t h VAL 51 CO -0.19 0.31 0.28 0.58 0.02 0.00 0.00 177.57 178.57 1x2t h VAL 52 N 0.59 1.20 -0.45 2.57 2.07 -0.79 0.14 116.25 121.59 1x2t h VAL 52 Ca 0.13 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1x2t h VAL 52 Cb 0.38 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1x2t h VAL 52 CO 0.01 0.23 -0.08 0.11 0.02 0.00 0.00 177.57 177.85 1x2t h LYS 53 N 0.76 0.78 -0.56 1.57 1.57 -1.20 -0.85 116.57 118.65 1x2t h LYS 53 Ca 0.19 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1x2t h LYS 53 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1x2t h LYS 53 CO -0.03 0.84 0.07 1.25 -0.57 0.00 0.00 179.45 181.02 1x2t h LEU 54 N 0.72 0.91 -0.25 2.94 5.85 -0.72 0.56 115.31 125.32 1x2t h LEU 54 Ca 0.13 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1x2t h LEU 54 Cb 0.55 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1x2t h LEU 54 CO 0.03 0.95 0.04 0.00 -0.34 0.00 0.00 178.44 179.13 1x2t h ALA 55 N 0.99 0.33 -0.02 1.25 0.00 -0.71 -2.16 119.26 118.94 1x2t h ALA 55 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x2t h ALA 55 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x2t h ALA 55 CO 0.01 0.01 0.01 0.35 0.00 0.00 0.00 179.25 179.63 1x2t h PHE 56 N 0.22 0.03 -0.16 0.00 3.57 -1.00 0.22 116.94 119.82 1x2t h PHE 56 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1x2t h PHE 56 Cb 0.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1x2t h PHE 56 CO 0.02 0.18 0.12 0.37 -2.23 0.00 0.00 178.31 176.76 1x2t h GLN 57 N -0.12 0.00 0.01 1.11 5.75 -0.89 0.54 115.11 121.51 1x2t h GLN 57 Ca 0.01 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 1x2t h GLN 57 Cb 0.16 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1x2t h GLN 57 CO -0.00 0.00 -1.05 1.15 -2.65 0.00 0.00 178.83 176.28 1x2t h THR 58 N 0.00 1.09 -0.00 2.39 2.02 -1.01 -3.42 112.91 113.97 1x2t h THR 58 Ca 0.08 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1x2t h THR 58 Cb 0.31 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1x2t h THR 58 CO -0.00 0.42 -0.04 0.49 0.37 0.00 0.00 175.52 176.76 1x2t n PHE 59 N -4.39 0.00 -4.29 3.16 3.72 0.73 -5.10 117.46 111.29 1x2t n PHE 59 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1x2t n PHE 59 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.44 0.40 3.65 1.37 0.00 0.19 -4.74 105.19 106.50 1x2t n GLY 60 Ca 0.02 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 2.46 0.09 1.61 3.76 -1.26 -4.35 115.29 117.60 1x2t s HIS 61 Ca 0.00 0.69 -0.16 0.00 -0.15 0.00 0.00 55.06 55.44 1x2t s HIS 61 Cb 0.00 -3.76 0.05 0.00 1.11 0.00 0.00 32.58 29.99 1x2t s HIS 61 CO 0.00 -2.50 0.75 0.45 -0.85 0.00 0.00 174.74 172.59 1x2t n SER 62 N 7.25 -1.09 -4.33 1.40 2.88 -1.26 -5.02 113.62 113.44 1x2t n SER 62 Ca 0.16 -1.51 -0.31 0.00 -1.33 0.00 0.00 58.87 55.88 1x2t n SER 62 Cb 0.45 1.76 -0.16 0.00 -0.75 0.00 0.00 64.21 65.51 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 -2.18 2.19 -0.05 2.46 -4.36 -1.26 -1.43 121.20 116.56 1x2t s ILE 63 Ca 0.17 -1.07 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1x2t s ILE 63 Cb -0.02 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 41.94 1x2t s ILE 63 CO 0.03 0.57 -0.08 -0.36 0.24 0.00 0.00 174.94 175.34 1x2t s PHE 64 N -0.63 1.10 0.50 1.37 0.40 0.21 -1.92 117.98 119.00 1x2t s PHE 64 Ca 0.10 -0.37 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 1x2t s PHE 64 Cb -0.10 -0.86 -0.06 0.00 0.51 0.00 0.00 43.02 42.51 1x2t s PHE 64 CO -0.01 -0.23 1.28 -1.58 0.70 0.00 0.00 175.22 175.39 1x2t s TRP 65 N 0.76 2.55 0.30 0.36 0.23 -0.33 -0.95 118.94 121.86 1x2t s TRP 65 Ca -0.13 1.43 0.11 0.00 -2.03 0.00 0.00 56.10 55.49 1x2t s TRP 65 Cb -0.15 -3.64 -0.05 0.00 0.03 0.00 0.00 33.47 29.66 1x2t s TRP 65 CO 0.02 -2.32 -0.17 -1.64 0.96 0.00 0.00 176.95 173.80 1x2t s MET 66 N -2.76 1.73 0.00 4.98 -1.94 -0.36 -3.82 119.30 117.12 1x2t s MET 66 Ca 0.67 -1.81 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 1x2t s MET 66 Cb -0.36 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1x2t s MET 66 CO 0.43 0.28 1.09 0.41 -0.01 0.00 0.00 175.02 177.22 1x2t n GLY 67 N -0.67 1.59 3.06 -0.03 0.00 0.56 -4.59 105.19 105.11 1x2t n GLY 67 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1x2t n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2t s LEU 68 N 0.00 1.83 0.23 0.99 1.43 -1.26 -4.99 118.68 116.92 1x2t s LEU 68 Ca 0.00 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1x2t s LEU 68 Cb 0.00 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1x2t s LEU 68 CO 0.00 -0.03 -0.14 -0.94 0.23 0.00 0.00 176.35 175.47 1x2t s SER 69 N 1.36 2.85 -1.43 2.29 1.04 -1.26 -1.38 113.70 117.17 1x2t s SER 69 Ca 0.04 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 55.35 1x2t s SER 69 Cb -0.13 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.81 1x2t s SER 69 CO -0.10 -0.15 0.27 0.59 0.98 0.00 0.00 173.24 174.83 1x2t n ASN 70 N -0.47 -0.52 0.27 7.02 4.13 -0.67 -4.83 115.26 120.20 1x2t n ASN 70 Ca -0.07 -1.19 0.13 0.00 1.68 0.00 0.00 54.58 55.14 1x2t n ASN 70 Cb 0.61 -2.15 0.83 0.00 -1.54 0.00 0.00 39.78 37.53 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 -1.94 0.65 0.00 2.41 -1.51 -1.75 -3.01 116.25 111.10 1x2t h VAL 71 Ca -0.66 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1x2t h VAL 71 Cb 1.39 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1x2t h VAL 71 CO 0.64 0.00 0.00 0.79 -1.23 0.00 0.00 177.57 177.77 1x2t n TRP 72 N -4.04 0.00 0.10 5.19 8.01 -1.26 -4.73 117.44 120.71 1x2t n TRP 72 Ca -0.02 -0.22 0.04 0.00 -1.31 0.00 0.00 57.50 55.99 1x2t n TRP 72 Cb 0.12 -0.02 0.47 0.00 -2.01 0.00 0.00 31.31 29.86 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 0.28 -0.42 -0.99 4.21 -1.88 -2.48 115.58 114.31 1x2t h ASN 73 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1x2t h ASN 73 Cb 0.24 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1x2t h ASN 73 CO 0.00 0.27 0.00 0.00 -1.29 0.00 0.00 177.43 176.41 1x2t n GLN 74 N -4.43 2.47 -1.23 0.81 3.00 -1.26 -4.98 117.38 111.75 1x2t n GLN 74 Ca 0.00 -2.23 -0.31 0.00 -0.01 0.00 0.00 57.00 54.45 1x2t n GLN 74 Cb 0.13 -1.51 0.10 0.00 0.00 0.00 0.00 30.24 28.96 1x2t n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x2t s ASN 76 N -3.22 6.94 -0.12 0.00 2.47 -1.26 -4.98 114.94 114.77 1x2t s ASN 76 Ca 0.62 -2.67 -0.29 0.00 0.42 0.00 0.00 52.86 50.94 1x2t s ASN 76 Cb -0.18 -2.49 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 1x2t s ASN 76 CO 0.55 -0.97 1.01 0.26 -3.72 0.00 0.00 177.10 174.23 1x2t s TRP 77 N 2.92 3.49 0.03 0.43 0.52 -1.26 -5.03 118.94 120.04 1x2t s TRP 77 Ca 0.48 1.57 -0.06 0.00 0.02 0.00 0.00 56.10 58.11 1x2t s TRP 77 Cb 0.00 -3.20 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 1x2t s TRP 77 CO 0.03 -0.27 0.11 -0.65 0.02 0.00 0.00 176.95 176.19 1x2t s GLN 78 N 2.16 0.59 0.18 4.98 -1.52 -1.26 -4.91 119.66 119.87 1x2t s GLN 78 Ca 0.48 -0.69 -0.27 0.00 -1.95 0.00 0.00 55.36 52.92 1x2t s GLN 78 Cb -0.18 0.23 -0.08 0.00 -0.22 0.00 0.00 33.01 32.76 1x2t s GLN 78 CO 0.17 -0.15 0.85 -1.58 -0.25 0.00 0.00 175.29 174.33 1x2t s TRP 79 N -2.44 3.92 -0.19 0.91 0.52 -1.26 -4.94 118.94 115.46 1x2t s TRP 79 Ca -0.06 1.74 0.25 0.00 0.02 0.00 0.00 56.10 58.04 1x2t s TRP 79 Cb -0.02 -2.87 1.24 0.00 -1.15 0.00 0.00 33.47 30.67 1x2t s TRP 79 CO -0.04 0.45 1.75 0.66 0.02 0.00 0.00 176.95 179.79 1x2t h SER 80 N 4.47 0.00 -0.59 2.95 4.64 -2.01 -1.63 113.55 121.39 1x2t h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 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 0.68 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.18 1x2t n ASN 81 N -2.36 3.56 0.00 4.97 6.94 -1.26 -4.93 115.26 122.18 1x2t n ASN 81 Ca -0.01 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 1x2t n ASN 81 Cb 0.10 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 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 1.15 0.00 -1.77 -2.53 0.00 -0.61 -4.99 120.51 111.76 1x2t n ALA 82 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1x2t n ALA 82 Cb 0.61 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.49 3.50 0.39 0.00 0.00 -1.26 -4.96 121.76 116.95 1x2t s ALA 83 Ca 0.00 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 1x2t s ALA 83 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1x2t s ALA 83 CO 0.00 -0.66 1.28 1.41 0.00 0.00 0.00 175.76 177.79 1x2t s MET 84 N -1.76 4.03 -0.36 0.00 -2.45 -1.26 -4.21 119.30 113.29 1x2t s MET 84 Ca 0.49 2.11 -0.29 0.00 -1.25 0.00 0.00 55.69 56.76 1x2t s MET 84 Cb -0.40 -2.79 0.02 0.00 1.25 0.00 0.00 34.83 32.91 1x2t s MET 84 CO 0.53 -0.42 1.08 -1.17 1.05 0.00 0.00 175.02 176.09 1x2t s LEU 85 N -2.35 3.86 0.13 4.11 2.96 -1.26 -4.75 118.68 121.37 1x2t s LEU 85 Ca 0.56 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1x2t s LEU 85 Cb -0.37 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1x2t s LEU 85 CO 0.48 -0.97 0.00 0.54 -1.32 0.00 0.00 176.35 175.08 1x2t n ARG 86 N 7.10 0.00 -2.13 1.98 1.74 -1.26 -5.05 116.66 119.04 1x2t n ARG 86 Ca 0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1x2t n ARG 86 Cb 0.48 -0.04 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 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 -1.47 3.20 -0.02 -1.55 5.04 -1.26 -5.01 117.35 116.28 1x2t s TYR 87 Ca 0.00 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 1x2t s TYR 87 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1x2t s TYR 87 CO 0.00 -2.50 -0.10 0.15 -1.34 0.00 0.00 175.55 171.76 1x2t s LYS 88 N 0.82 0.99 -0.27 4.97 1.02 -1.26 -5.04 119.74 120.96 1x2t s LYS 88 Ca 0.64 -0.34 0.21 0.00 0.02 0.00 0.00 55.97 56.51 1x2t s LYS 88 Cb -0.38 -0.92 0.50 0.00 -0.52 0.00 0.00 37.83 36.50 1x2t s LYS 88 CO 0.32 0.14 1.14 0.00 -0.92 0.00 0.00 175.35 176.03 1x2t n ALA 89 N 3.19 2.68 -1.80 5.17 0.00 -1.26 -5.11 120.51 123.38 1x2t n ALA 89 Ca -0.17 -2.62 -0.41 0.00 0.00 0.00 0.00 53.44 50.23 1x2t n ALA 89 Cb 0.55 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.36 2.82 0.15 0.00 0.51 -1.26 -4.91 118.94 112.90 1x2t s TRP 90 Ca 0.25 0.92 -0.10 0.00 -2.12 0.00 0.00 56.10 55.05 1x2t s TRP 90 Cb 0.35 -3.98 -0.01 0.00 -0.81 0.00 0.00 33.47 29.02 1x2t s TRP 90 CO -0.04 -3.20 1.51 0.00 -0.51 0.00 0.00 176.95 174.71 1x2t h ALA 91 N 4.63 0.63 -4.38 0.98 0.00 -2.05 -3.43 119.26 115.64 1x2t h ALA 91 Ca -0.47 -0.43 -0.64 0.00 0.00 0.00 0.00 54.91 53.37 1x2t h ALA 91 Cb 1.22 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 18.59 1x2t h ALA 91 CO 0.77 0.68 -0.86 -1.21 0.00 0.00 0.00 179.25 178.62 1x2t s GLU 92 N -4.48 1.74 0.23 0.00 0.41 -1.26 -5.04 118.70 110.29 1x2t s GLU 92 Ca -0.11 -0.88 0.12 0.00 -0.41 0.00 0.00 54.97 53.69 1x2t s GLU 92 Cb 0.12 -1.75 0.04 0.00 -1.78 0.00 0.00 34.13 30.76 1x2t s GLU 92 CO 0.88 0.47 1.42 1.49 -0.49 0.00 0.00 175.26 179.03 1x2t h GLU 93 N 5.33 0.00 -1.69 1.61 4.22 -2.03 -3.47 114.58 118.55 1x2t h GLU 93 Ca -0.42 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.07 1x2t h GLU 93 Cb 1.14 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.17 1x2t h GLU 93 CO 0.46 0.69 0.45 -1.54 -2.18 0.00 0.00 179.01 176.89 1x2t s SER 94 N -6.58 -0.45 0.07 1.04 1.04 -1.26 -4.91 113.70 102.66 1x2t s SER 94 Ca 0.02 0.48 0.09 0.00 0.48 0.00 0.00 55.95 57.02 1x2t s SER 94 Cb 0.09 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1x2t s SER 94 CO 0.77 -0.42 -0.22 -0.31 0.98 0.00 0.00 173.24 174.04 1x2t s TYR 95 N -1.15 2.44 0.23 5.02 1.51 -1.26 -2.08 117.35 122.06 1x2t s TYR 95 Ca -0.04 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1x2t s TYR 95 Cb -0.00 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1x2t s TYR 95 CO 0.04 0.26 -0.12 0.00 -1.11 0.00 0.00 175.55 174.62 1x2t s VAL 97 N -2.95 5.38 0.21 0.00 1.01 -0.48 -1.24 120.40 122.34 1x2t s VAL 97 Ca 0.25 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1x2t s VAL 97 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1x2t s VAL 97 CO 0.09 0.53 0.27 -0.72 0.00 0.00 0.00 175.10 175.27 1x2t s TYR 98 N -1.13 0.77 0.06 5.22 1.13 -0.26 -1.23 117.35 121.92 1x2t s TYR 98 Ca 0.20 -1.07 0.05 0.00 -1.41 0.00 0.00 57.07 54.84 1x2t s TYR 98 Cb -0.13 -0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.47 1x2t s TYR 98 CO 0.10 -0.77 -0.13 -0.59 -2.51 0.00 0.00 175.55 171.64 1x2t s PHE 99 N -4.08 1.14 0.02 -3.49 -0.12 -0.12 -1.15 117.98 110.18 1x2t s PHE 99 Ca 0.30 -0.43 -0.17 0.00 -0.05 0.00 0.00 56.93 56.58 1x2t s PHE 99 Cb 0.04 -0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 41.71 1x2t s PHE 99 CO 0.09 0.04 0.47 0.15 -0.05 0.00 0.00 175.22 175.92 1x2t s LYS 100 N -1.55 4.05 0.00 1.99 1.02 -1.26 -0.62 119.74 123.37 1x2t s LYS 100 Ca -0.02 0.54 0.04 0.00 0.02 0.00 0.00 55.97 56.55 1x2t s LYS 100 Cb -0.09 -3.24 0.24 0.00 -0.52 0.00 0.00 37.83 34.22 1x2t s LYS 100 CO 0.02 0.64 0.74 -1.13 -0.92 0.00 0.00 175.35 174.70 1x2t n SER 101 N 1.88 0.00 0.06 2.83 3.41 -0.51 -2.32 113.62 118.96 1x2t n SER 101 Ca -0.12 -0.10 -0.05 0.00 -0.26 0.00 0.00 58.87 58.34 1x2t n SER 101 Cb 0.52 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1x2t n SER 101 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x2t h THR 102 N 0.00 1.25 -3.20 6.66 1.35 -1.89 -3.41 112.91 113.67 1x2t h THR 102 Ca 0.00 -2.90 0.01 0.00 -0.55 0.00 0.00 66.41 62.97 1x2t h THR 102 Cb 0.00 2.60 -0.05 0.00 -1.73 0.00 0.00 68.15 68.97 1x2t h THR 102 CO 0.00 0.71 0.14 0.54 -0.25 0.00 0.00 175.52 176.66 1x2t s ASN 103 N -6.44 -0.12 -0.11 5.36 2.20 -0.98 -5.06 114.94 109.78 1x2t s ASN 103 Ca 0.00 -0.81 0.09 0.00 -0.94 0.00 0.00 52.86 51.20 1x2t s ASN 103 Cb 0.09 0.72 0.45 0.00 -2.00 0.00 0.00 41.25 40.51 1x2t s ASN 103 CO 0.81 -1.36 1.23 -0.46 -2.94 0.00 0.00 177.10 174.38 1x2t n ASN 104 N -0.65 3.45 -4.79 3.54 0.23 -1.26 -4.26 115.26 111.53 1x2t n ASN 104 Ca -0.04 -2.44 -0.36 0.00 -0.53 0.00 0.00 54.58 51.21 1x2t n ASN 104 Cb 0.60 -0.55 -0.05 0.00 -2.08 0.00 0.00 39.78 37.70 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 -1.91 4.26 0.09 -3.83 -0.14 -1.26 -5.02 119.74 111.93 1x2t s LYS 105 Ca 0.31 1.38 -0.24 0.00 -1.36 0.00 0.00 55.97 56.06 1x2t s LYS 105 Cb 0.22 -2.52 -0.06 0.00 -1.68 0.00 0.00 37.83 33.79 1x2t s LYS 105 CO 0.11 -0.03 0.74 -1.58 -0.76 0.00 0.00 175.35 173.83 1x2t s TRP 106 N -1.76 3.80 0.14 3.18 0.52 -1.26 -4.50 118.94 119.06 1x2t s TRP 106 Ca 0.57 1.50 0.04 0.00 0.02 0.00 0.00 56.10 58.23 1x2t s TRP 106 Cb -0.18 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 1x2t s TRP 106 CO 0.23 0.40 -0.09 1.03 0.02 0.00 0.00 176.95 178.55 1x2t s ARG 107 N -0.56 1.04 -0.01 4.98 0.52 -0.30 -4.99 118.95 119.63 1x2t s ARG 107 Ca 0.36 -1.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 1x2t s ARG 107 Cb -0.21 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1x2t s ARG 107 CO 0.23 0.04 -0.15 -1.54 0.02 0.00 0.00 175.30 173.91 1x2t s SER 108 N -3.15 4.01 -0.11 0.23 1.04 -1.26 -1.10 113.70 113.35 1x2t s SER 108 Ca 0.17 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1x2t s SER 108 Cb 0.03 -0.78 0.03 0.00 0.10 0.00 0.00 66.02 65.40 1x2t s SER 108 CO 0.00 0.30 0.33 -0.60 0.98 0.00 0.00 173.24 174.26 1x2t s ARG 109 N -1.09 0.43 0.14 4.02 3.52 -0.37 -4.97 118.95 120.63 1x2t s ARG 109 Ca 0.13 0.37 -0.34 0.00 -0.13 0.00 0.00 55.73 55.77 1x2t s ARG 109 Cb -0.11 0.21 -0.14 0.00 -1.56 0.00 0.00 34.95 33.35 1x2t s ARG 109 CO 0.03 -0.07 1.59 0.00 -0.81 0.00 0.00 175.30 176.04 1x2t n ALA 110 N 2.66 1.22 0.13 6.12 0.00 -1.26 -0.35 120.51 129.04 1x2t n ALA 110 Ca -0.14 0.44 0.17 0.00 0.00 0.00 0.00 53.44 53.90 1x2t n ALA 110 Cb 0.57 -2.35 0.73 0.00 0.00 0.00 0.00 19.45 18.41 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 -7.43 0.00 0.11 -1.88 -2.03 114.38 103.15 1x2t h ARG 112 Ca 0.14 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.74 1x2t h ARG 112 Cb 0.61 0.00 0.12 0.00 1.11 0.00 0.00 29.97 31.81 1x2t h ARG 112 CO -0.00 0.04 0.32 -1.64 0.10 0.00 0.00 179.97 178.79 1x2t s MET 113 N -3.59 1.74 0.20 0.08 -1.94 -0.55 -4.70 119.30 110.54 1x2t s MET 113 Ca 0.02 0.53 0.04 0.00 -1.71 0.00 0.00 55.69 54.57 1x2t s MET 113 Cb 0.09 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 1x2t s MET 113 CO 0.58 -1.84 0.31 -1.64 -0.01 0.00 0.00 175.02 172.42 1x2t s MET 114 N -5.19 3.38 -0.00 2.03 -1.94 -1.26 -3.93 119.30 112.39 1x2t s MET 114 Ca 0.62 -0.72 -0.29 0.00 -1.71 0.00 0.00 55.69 53.59 1x2t s MET 114 Cb -0.15 -2.89 0.10 0.00 2.01 0.00 0.00 34.83 33.91 1x2t s MET 114 CO 0.54 0.47 1.00 0.00 -0.01 0.00 0.00 175.02 177.02 1x2t s ALA 115 N -1.88 -1.87 1.05 3.03 0.00 -0.72 -4.87 121.76 116.50 1x2t s ALA 115 Ca 0.34 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 1x2t s ALA 115 Cb -0.10 0.37 0.14 0.00 0.00 0.00 0.00 23.12 23.53 1x2t s ALA 115 CO 0.28 -0.79 0.71 1.04 0.00 0.00 0.00 175.76 177.00 1x2t n GLN 116 N -0.29 -1.26 -3.83 0.00 6.02 -0.81 -1.88 117.38 115.34 1x2t n GLN 116 Ca -0.06 -1.11 -0.06 0.00 -0.01 0.00 0.00 57.00 55.76 1x2t n GLN 116 Cb 0.61 -0.83 0.01 0.00 1.02 0.00 0.00 30.24 31.04 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 -2.47 0.00 -0.03 1.08 -0.71 -1.21 -1.19 117.98 113.46 1x2t s PHE 117 Ca 0.42 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1x2t s PHE 117 Cb -0.02 0.74 0.01 0.00 -1.21 0.00 0.00 43.02 42.54 1x2t s PHE 117 CO 0.30 -1.20 -0.05 0.08 -1.34 0.00 0.00 175.22 173.01 1x2t s VAL 118 N -2.76 0.53 0.21 -2.49 1.01 -1.25 -0.52 120.40 115.12 1x2t s VAL 118 Ca 0.16 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1x2t s VAL 118 Cb -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1x2t s VAL 118 CO 0.07 0.20 0.28 0.00 0.00 0.00 0.00 175.10 175.65 1x2t s GLU 120 N -3.66 0.63 0.06 0.00 2.12 0.08 -1.79 118.70 116.14 1x2t s GLU 120 Ca 0.33 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.36 1x2t s GLU 120 Cb -0.09 0.28 0.04 0.00 0.26 0.00 0.00 34.13 34.62 1x2t s GLU 120 CO 0.27 -0.17 0.46 -0.59 -0.54 0.00 0.00 175.26 174.70 1x2t s PHE 121 N -1.14 -0.34 -0.21 5.30 -0.12 -0.69 -1.64 117.98 119.15 1x2t s PHE 121 Ca -0.12 0.30 -0.26 0.00 -0.05 0.00 0.00 56.93 56.80 1x2t s PHE 121 Cb -0.05 0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1x2t s PHE 121 CO 0.04 -0.63 0.88 -1.14 -0.05 0.00 0.00 175.22 174.32 1x2t s GLN 122 N -2.65 4.24 0.00 1.99 0.74 -1.26 -0.79 119.66 121.93 1x2t s GLN 122 Ca -0.04 1.07 0.12 0.00 0.05 0.00 0.00 55.36 56.57 1x2t s GLN 122 Cb -0.00 -3.62 0.74 0.00 1.10 0.00 0.00 33.01 31.23 1x2t s GLN 122 CO -0.03 -0.48 1.17 0.00 -0.55 0.00 0.00 175.29 175.40