#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pas n ALA 2 N 0.00 2.51 0.15 0.00 0.00 -0.92 -4.32 120.51 117.92 2pas n ALA 2 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 53.44 51.98 2pas n ALA 2 Cb 0.00 -0.63 0.14 0.00 0.00 0.00 0.00 19.45 18.97 2pas n ALA 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2pas h LYS 3 N 2.49 0.00 0.00 0.00 2.10 -1.40 -2.58 116.57 117.18 2pas h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2pas h LYS 3 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2pas h LYS 3 CO 0.08 0.53 -0.63 -0.25 -2.00 0.00 0.00 179.45 177.19 2pas n ASP 4 N -3.41 0.63 -0.02 7.07 9.92 -1.26 -3.61 116.55 125.87 2pas n ASP 4 Ca 0.01 -0.79 -0.22 0.00 -0.53 0.00 0.00 54.79 53.26 2pas n ASP 4 Cb 0.66 1.01 -0.13 0.00 -0.64 0.00 0.00 41.12 42.02 2pas n ASP 4 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2pas h LEU 5 N 0.00 0.31 -7.34 0.64 6.46 -1.74 -3.47 115.31 110.17 2pas h LEU 5 Ca 0.00 -0.82 -0.11 0.00 -0.12 0.00 0.00 57.88 56.83 2pas h LEU 5 Cb 0.31 -0.10 -0.22 0.00 -0.73 0.00 0.00 40.66 39.92 2pas h LEU 5 CO 0.00 1.73 -0.19 -1.48 -0.62 0.00 0.00 178.44 177.88 2pas s LEU 6 N -7.35 0.42 -1.29 2.25 0.05 -0.98 -4.90 118.68 106.88 2pas s LEU 6 Ca -0.24 0.58 -0.02 0.00 0.05 0.00 0.00 54.13 54.51 2pas s LEU 6 Cb 0.06 1.52 0.00 0.00 -2.05 0.00 0.00 46.19 45.72 2pas s LEU 6 CO 0.72 -0.30 0.27 0.29 -0.55 0.00 0.00 176.35 176.79 2pas n LYS 7 N 2.10 -2.76 0.05 1.48 4.01 -1.26 -4.49 118.16 117.28 2pas n LYS 7 Ca -0.17 0.75 -0.13 0.00 -0.51 0.00 0.00 58.31 58.25 2pas n LYS 7 Cb 0.57 -5.18 -0.08 0.00 -0.51 0.00 0.00 35.03 29.83 2pas n LYS 7 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2pas h ALA 8 N 0.78 -0.07 0.10 7.82 0.00 -1.82 0.70 119.26 126.77 2pas h ALA 8 Ca -0.40 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 2pas h ALA 8 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2pas h ALA 8 CO 0.45 -0.45 -1.52 -0.44 0.00 0.00 0.00 179.25 177.29 2pas h ASP 9 N -0.25 0.33 -0.29 0.00 3.32 -1.90 -3.10 116.42 114.53 2pas h ASP 9 Ca -0.01 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2pas h ASP 9 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2pas h ASP 9 CO 0.01 1.39 -0.06 0.44 -1.72 0.00 0.00 179.24 179.30 2pas h ASP 10 N 0.06 0.65 -0.51 6.45 5.19 -1.83 -1.29 116.42 125.13 2pas h ASP 10 Ca -0.23 -0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.08 2pas h ASP 10 Cb 2.00 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 41.28 2pas h ASP 10 CO 0.15 0.76 0.19 0.40 -3.12 0.00 0.00 179.24 177.62 2pas h ILE 11 N 0.62 0.84 -0.97 0.35 2.04 0.38 0.94 117.51 121.71 2pas h ILE 11 Ca 0.12 -0.13 0.24 0.00 1.00 0.00 0.00 64.86 66.09 2pas h ILE 11 Cb 0.48 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2pas h ILE 11 CO 0.03 0.07 0.65 0.11 0.00 0.00 0.00 178.15 179.00 2pas h LYS 12 N 0.38 0.32 0.00 2.37 1.57 -1.15 0.30 116.57 120.36 2pas h LYS 12 Ca 0.24 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2pas h LYS 12 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2pas h LYS 12 CO -0.24 0.21 -0.97 0.87 -0.57 0.00 0.00 179.45 178.75 2pas h LYS 13 N 0.33 0.00 -0.08 3.15 1.79 -0.75 -3.10 116.57 117.92 2pas h LYS 13 Ca 0.51 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.81 2pas h LYS 13 Cb 1.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 2pas h LYS 13 CO -0.18 0.41 -0.69 0.00 -1.08 0.00 0.00 179.45 177.90 2pas h ALA 14 N 1.46 0.67 -0.03 3.86 0.00 0.11 -2.36 119.26 122.96 2pas h ALA 14 Ca -0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 2pas h ALA 14 Cb 1.49 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2pas h ALA 14 CO 0.06 0.76 -0.45 -0.07 0.00 0.00 0.00 179.25 179.54 2pas h LEU 15 N 0.24 0.45 -2.13 0.00 3.38 -1.33 -2.60 115.31 113.32 2pas h LEU 15 Ca -0.02 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2pas h LEU 15 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pas h LEU 15 CO 0.12 1.11 0.00 0.44 0.09 0.00 0.00 178.44 180.19 2pas h ASP 16 N -0.16 0.00 0.80 -0.43 3.32 -1.56 1.82 116.42 120.21 2pas h ASP 16 Ca -0.05 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.76 2pas h ASP 16 Cb 1.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 2pas h ASP 16 CO 0.09 0.00 -1.27 0.00 -1.72 0.00 0.00 179.24 176.34 2pas h ALA 17 N 2.02 0.50 0.00 3.45 0.00 -1.16 -3.38 119.26 120.69 2pas h ALA 17 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 54.91 53.68 2pas h ALA 17 Cb 0.06 0.09 -0.23 0.00 0.00 0.00 0.00 17.79 17.70 2pas h ALA 17 CO 0.00 1.37 -0.82 1.33 0.00 0.00 0.00 179.25 181.12 2pas n VAL 18 N -3.24 0.88 0.25 0.00 0.24 0.43 -4.84 118.33 112.03 2pas n VAL 18 Ca -0.07 -1.89 0.09 0.00 -2.04 0.00 0.00 64.34 60.44 2pas n VAL 18 Cb 0.98 0.51 0.67 0.00 -1.47 0.00 0.00 33.84 34.53 2pas n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2pas h LYS 19 N 1.00 0.00 -6.74 7.34 3.64 0.25 -3.41 116.57 118.64 2pas h LYS 19 Ca -0.14 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.86 2pas h LYS 19 Cb 1.54 0.00 0.21 0.00 -0.41 0.00 0.00 32.23 33.57 2pas h LYS 19 CO 0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 179.45 176.83 2pas n ALA 20 N -2.52 -3.50 -2.88 5.00 0.00 -1.26 -4.85 120.51 110.49 2pas n ALA 20 Ca -0.02 -1.41 -0.43 0.00 0.00 0.00 0.00 53.44 51.58 2pas n ALA 20 Cb 0.12 -1.54 0.01 0.00 0.00 0.00 0.00 19.45 18.04 2pas n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pas n GLU 21 N -3.81 4.46 0.00 0.00 -0.58 -1.26 -3.96 120.64 115.48 2pas n GLU 21 Ca 0.05 -4.43 0.00 0.00 -0.42 0.00 0.00 57.16 52.37 2pas n GLU 21 Cb 0.54 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 2pas n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pas n GLY 22 N 1.39 -0.81 0.71 0.62 0.00 -1.26 -4.82 105.19 101.03 2pas n GLY 22 Ca 0.30 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.37 2pas n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pas n SER 23 N 0.00 2.05 -4.79 1.61 3.41 -1.25 -4.90 113.62 109.76 2pas n SER 23 Ca 0.00 -2.03 -0.37 0.00 -0.26 0.00 0.00 58.87 56.21 2pas n SER 23 Cb 0.00 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 2pas n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2pas s PHE 24 N -1.53 3.75 0.00 7.33 2.19 -1.26 -4.54 117.98 123.92 2pas s PHE 24 Ca 0.25 1.67 0.00 0.00 0.33 0.00 0.00 56.93 59.18 2pas s PHE 24 Cb 0.13 -2.82 0.00 0.00 -1.31 0.00 0.00 43.02 39.02 2pas s PHE 24 CO 0.16 0.32 0.00 0.09 1.83 0.00 0.00 175.22 177.62 2pas n ASN 25 N 0.87 3.59 0.00 6.13 3.02 -1.26 -4.95 115.26 122.66 2pas n ASN 25 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2pas n ASN 25 Cb 0.50 0.34 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 2pas n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pas n HIS 26 N -1.63 0.00 -0.01 3.10 1.44 -1.26 -4.71 115.22 112.15 2pas n HIS 26 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2pas n HIS 26 Cb 0.36 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.33 2pas n HIS 26 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2pas n LYS 27 N 0.00 0.72 0.08 -1.40 5.02 -1.26 -2.95 118.16 118.37 2pas n LYS 27 Ca 0.00 0.26 -0.15 0.00 -2.02 0.00 0.00 58.31 56.41 2pas n LYS 27 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 2pas n LYS 27 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2pas h LYS 28 N 0.05 0.38 0.66 1.97 3.64 -1.94 0.69 116.57 122.02 2pas h LYS 28 Ca -0.39 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.48 2pas h LYS 28 Cb 2.03 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 34.01 2pas h LYS 28 CO 0.08 1.16 -0.32 0.35 -2.27 0.00 0.00 179.45 178.45 2pas h PHE 29 N 0.19 -0.83 -0.11 1.91 3.57 -1.89 -3.06 116.94 116.71 2pas h PHE 29 Ca -0.10 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 2pas h PHE 29 Cb 1.71 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 2pas h PHE 29 CO 0.06 -0.51 -0.26 0.74 -2.23 0.00 0.00 178.31 176.11 2pas h PHE 30 N -1.24 0.22 -0.56 0.41 -1.00 -1.65 -2.54 116.94 110.58 2pas h PHE 30 Ca -0.09 -0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.76 2pas h PHE 30 Cb 0.68 -0.06 -0.11 0.00 3.61 0.00 0.00 35.95 40.08 2pas h PHE 30 CO 0.00 0.45 -0.15 0.00 -1.61 0.00 0.00 178.31 177.00 2pas h ALA 31 N 1.56 0.35 -0.05 2.45 0.00 -0.83 -1.58 119.26 121.15 2pas h ALA 31 Ca 0.03 0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2pas h ALA 31 Cb 0.56 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2pas h ALA 31 CO 0.04 -0.44 -0.39 -0.07 0.00 0.00 0.00 179.25 178.39 2pas h LEU 32 N -0.01 0.42 -0.79 0.00 3.38 -1.41 -3.28 115.31 113.61 2pas h LEU 32 Ca 0.27 -0.69 0.16 0.00 0.09 0.00 0.00 57.88 57.71 2pas h LEU 32 Cb 0.42 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 2pas h LEU 32 CO -0.58 1.05 -0.18 1.62 0.09 0.00 0.00 178.44 180.44 2pas h VAL 33 N -0.17 0.21 0.00 1.22 3.04 -0.95 -3.46 116.25 116.15 2pas h VAL 33 Ca -0.03 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2pas h VAL 33 Cb 1.06 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2pas h VAL 33 CO 0.08 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.25 2pas n GLY 34 N -1.51 1.79 1.69 3.17 0.00 -0.66 -4.67 105.19 104.98 2pas n GLY 34 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2pas n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pas n LEU 35 N 0.00 5.30 0.16 0.99 7.94 -1.25 -4.36 117.00 125.78 2pas n LEU 35 Ca 0.00 -2.86 0.12 0.00 -1.11 0.00 0.00 56.01 52.16 2pas n LEU 35 Cb 0.00 -0.64 0.14 0.00 0.53 0.00 0.00 43.42 43.44 2pas n LEU 35 CO 0.00 0.67 0.52 0.50 -1.11 0.00 0.00 177.39 177.97 2pas h LYS 36 N 3.67 0.00 0.00 1.96 3.64 -1.81 -3.37 116.57 120.66 2pas h LYS 36 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2pas h LYS 36 Cb 1.81 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 33.40 2pas h LYS 36 CO 0.41 0.00 -0.81 0.00 -2.27 0.00 0.00 179.45 176.77 2pas n ALA 37 N -2.07 2.75 -1.15 5.00 0.00 -1.26 -4.19 120.51 119.59 2pas n ALA 37 Ca 0.03 -2.59 -0.32 0.00 0.00 0.00 0.00 53.44 50.55 2pas n ALA 37 Cb 0.52 -0.60 0.11 0.00 0.00 0.00 0.00 19.45 19.48 2pas n ALA 37 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pas s MET 38 N -1.10 1.94 -0.08 0.00 -1.94 -1.26 -4.87 119.30 111.98 2pas s MET 38 Ca 0.33 1.48 -0.29 0.00 -1.71 0.00 0.00 55.69 55.50 2pas s MET 38 Cb 0.36 -1.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.31 2pas s MET 38 CO -0.12 -1.93 1.80 -1.54 -0.01 0.00 0.00 175.02 173.22 2pas s SER 39 N -2.69 6.39 0.47 3.03 1.04 -1.26 -4.79 113.70 115.90 2pas s SER 39 Ca 0.67 2.18 0.35 0.00 0.48 0.00 0.00 55.95 59.63 2pas s SER 39 Cb -0.23 -2.53 1.19 0.00 0.10 0.00 0.00 66.02 64.56 2pas s SER 39 CO 0.51 -1.16 1.20 0.00 0.98 0.00 0.00 173.24 174.77 2pas n ALA 40 N 8.09 1.31 0.11 5.32 0.00 -1.26 -0.04 120.51 134.03 2pas n ALA 40 Ca 0.20 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 54.02 2pas n ALA 40 Cb 0.43 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2pas n ALA 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2pas h ASN 41 N 0.00 -0.30 0.23 0.00 -1.24 -2.00 -1.28 115.58 110.99 2pas h ASN 41 Ca 0.65 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.58 2pas h ASN 41 Cb 2.86 0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.99 2pas h ASN 41 CO -0.01 0.18 0.00 0.47 -1.29 0.00 0.00 177.43 176.78 2pas n ASP 42 N -5.01 0.00 -0.02 1.15 9.92 0.94 -2.04 116.55 121.49 2pas n ASP 42 Ca -0.06 0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.00 2pas n ASP 42 Cb 0.18 -0.25 -0.13 0.00 -0.64 0.00 0.00 41.12 40.28 2pas n ASP 42 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2pas h VAL 43 N 0.00 0.79 0.00 2.53 2.07 -0.70 -2.68 116.25 118.25 2pas h VAL 43 Ca 0.00 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 2pas h VAL 43 Cb 0.12 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2pas h VAL 43 CO 0.00 0.72 -0.03 0.11 0.02 0.00 0.00 177.57 178.39 2pas h LYS 44 N -0.26 0.00 0.02 1.57 1.57 -0.62 0.33 116.57 119.18 2pas h LYS 44 Ca -0.38 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.20 2pas h LYS 44 Cb 1.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 2pas h LYS 44 CO 0.02 0.03 -0.95 0.87 -0.57 0.00 0.00 179.45 178.84 2pas h LYS 45 N 0.00 0.09 -0.14 3.15 1.79 -1.51 -1.51 116.57 118.44 2pas h LYS 45 Ca -0.00 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 2pas h LYS 45 Cb 0.08 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2pas h LYS 45 CO 0.00 0.97 -0.03 0.28 -1.08 0.00 0.00 179.45 179.59 2pas h VAL 46 N 0.04 1.28 0.13 0.50 2.07 -0.05 -2.86 116.25 117.35 2pas h VAL 46 Ca -0.04 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2pas h VAL 46 Cb 1.64 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2pas h VAL 46 CO 0.14 0.28 -0.12 0.15 0.02 0.00 0.00 177.57 178.04 2pas h PHE 47 N -0.03 -0.31 -1.54 1.57 3.04 -1.16 0.10 116.94 118.60 2pas h PHE 47 Ca 0.04 0.00 0.46 0.00 3.98 0.00 0.00 57.97 62.44 2pas h PHE 47 Cb 0.45 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.00 2pas h PHE 47 CO 0.05 -0.19 1.09 -0.22 -2.02 0.00 0.00 178.31 177.02 2pas h LYS 48 N -0.27 0.04 -0.02 1.11 1.63 -1.18 2.07 116.57 119.94 2pas h LYS 48 Ca 0.00 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2pas h LYS 48 Cb 0.26 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2pas h LYS 48 CO -0.03 0.02 -0.46 0.00 -3.45 0.00 0.00 179.45 175.53 2pas h ALA 49 N 1.29 0.09 -0.71 5.00 0.00 -0.62 -2.86 119.26 121.44 2pas h ALA 49 Ca 0.78 -0.52 0.17 0.00 0.00 0.00 0.00 54.91 55.34 2pas h ALA 49 Cb 2.94 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.70 2pas h ALA 49 CO -0.10 0.26 0.49 0.82 0.00 0.00 0.00 179.25 180.72 2pas h ILE 50 N -0.18 0.72 -0.22 0.00 1.08 0.42 -3.34 117.51 116.00 2pas h ILE 50 Ca -0.05 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.30 2pas h ILE 50 Cb 1.16 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2pas h ILE 50 CO 0.09 0.04 0.14 -0.62 -0.69 0.00 0.00 178.15 177.11 2pas s ASP 51 N -5.96 3.70 0.00 1.72 2.15 0.10 -4.81 116.67 113.56 2pas s ASP 51 Ca -0.06 -0.75 -0.00 0.00 0.43 0.00 0.00 52.55 52.17 2pas s ASP 51 Cb 0.21 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2pas s ASP 51 CO 0.76 -4.38 1.00 0.00 -0.17 0.00 0.00 175.17 172.38 2pas h ALA 52 N 11.76 -0.22 -0.32 3.66 0.00 -1.83 -1.29 119.26 131.02 2pas h ALA 52 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2pas h ALA 52 Cb 0.99 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2pas h ALA 52 CO 1.03 -0.22 0.07 -0.40 0.00 0.00 0.00 179.25 179.73 2pas n ASP 53 N -2.79 3.30 -3.74 0.00 5.68 -1.26 -4.91 116.55 112.84 2pas n ASP 53 Ca -0.00 -2.52 -0.34 0.00 -0.50 0.00 0.00 54.79 51.43 2pas n ASP 53 Cb 0.00 -0.61 0.04 0.00 -1.14 0.00 0.00 41.12 39.42 2pas n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pas n ALA 54 N 0.17 -2.56 -1.74 2.12 0.00 -0.49 -4.88 120.51 113.13 2pas n ALA 54 Ca 0.17 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 2pas n ALA 54 Cb 0.79 -3.95 0.10 0.00 0.00 0.00 0.00 19.45 16.38 2pas n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pas n SER 55 N -2.60 4.14 -1.50 0.00 3.41 -1.26 -4.90 113.62 110.91 2pas n SER 55 Ca -0.09 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.64 2pas n SER 55 Cb 0.59 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2pas n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pas n GLY 56 N -0.90 0.49 3.31 5.00 0.00 -1.26 -4.85 105.19 106.98 2pas n GLY 56 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2pas n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pas s PHE 57 N -1.84 -0.42 -0.35 1.61 0.08 -1.26 -4.53 117.98 111.27 2pas s PHE 57 Ca 0.00 0.97 -0.22 0.00 0.12 0.00 0.00 56.93 57.80 2pas s PHE 57 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 2pas s PHE 57 CO 0.00 -0.28 0.70 0.42 -0.10 0.00 0.00 175.22 175.96 2pas s ILE 58 N -0.16 4.83 0.59 0.64 -1.09 -0.65 -4.66 121.20 120.70 2pas s ILE 58 Ca -0.03 0.73 -0.03 0.00 -2.23 0.00 0.00 60.65 59.09 2pas s ILE 58 Cb -0.03 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 2pas s ILE 58 CO 0.02 -0.35 0.86 -1.61 -1.23 0.00 0.00 174.94 172.63 2pas s GLU 59 N 2.86 2.67 0.37 2.79 2.02 -1.26 -1.77 118.70 126.37 2pas s GLU 59 Ca 0.27 -0.33 0.11 0.00 0.02 0.00 0.00 54.97 55.04 2pas s GLU 59 Cb -0.14 -2.34 0.88 0.00 0.10 0.00 0.00 34.13 32.62 2pas s GLU 59 CO 0.15 -0.77 1.87 0.93 0.02 0.00 0.00 175.26 177.47 2pas h GLU 60 N -0.13 0.61 -0.33 1.61 5.08 -1.97 0.11 114.58 119.56 2pas h GLU 60 Ca -0.44 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2pas h GLU 60 Cb 1.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2pas h GLU 60 CO 0.58 0.40 0.09 0.93 -1.00 0.00 0.00 179.01 180.01 2pas h GLU 61 N 0.62 0.47 -0.42 2.33 3.07 -1.95 -1.54 114.58 117.16 2pas h GLU 61 Ca 0.44 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 59.16 2pas h GLU 61 Cb 0.79 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2pas h GLU 61 CO -0.20 0.43 -0.04 0.93 -1.40 0.00 0.00 179.01 178.74 2pas h GLU 62 N 0.47 0.78 -0.97 2.33 3.07 -1.11 -2.27 114.58 116.87 2pas h GLU 62 Ca 0.11 -0.27 0.12 0.00 -0.50 0.00 0.00 59.36 58.83 2pas h GLU 62 Cb 0.17 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 27.94 2pas h GLU 62 CO -0.01 0.87 0.62 -0.07 -1.40 0.00 0.00 179.01 179.02 2pas h LEU 63 N 0.60 0.87 -0.88 1.33 3.38 -0.91 1.29 115.31 120.99 2pas h LEU 63 Ca 0.11 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2pas h LEU 63 Cb 0.55 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2pas h LEU 63 CO 0.03 0.47 0.55 0.11 0.09 0.00 0.00 178.44 179.69 2pas h LYS 64 N 0.94 0.99 -0.45 1.13 1.57 -0.76 -2.35 116.57 117.64 2pas h LYS 64 Ca 0.48 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.91 2pas h LYS 64 Cb 0.52 -0.22 -0.19 0.00 0.08 0.00 0.00 32.23 32.41 2pas h LYS 64 CO -0.24 0.65 -0.30 1.19 -0.57 0.00 0.00 179.45 180.18 2pas n PHE 65 N -4.59 1.52 -0.59 -1.35 3.01 0.25 -2.50 117.46 113.20 2pas n PHE 65 Ca 0.13 -1.89 0.47 0.00 1.01 0.00 0.00 57.45 57.16 2pas n PHE 65 Cb 0.17 -0.48 0.74 0.00 -0.01 0.00 0.00 39.48 39.90 2pas n PHE 65 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 2pas n VAL 66 N -0.99 -0.11 -1.69 -4.37 3.14 0.42 0.79 118.33 115.52 2pas n VAL 66 Ca 0.36 1.60 -0.35 0.00 -2.96 0.00 0.00 64.34 62.99 2pas n VAL 66 Cb 0.91 -2.65 0.05 0.00 -1.06 0.00 0.00 33.84 31.10 2pas n VAL 66 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2pas n LEU 67 N -4.24 7.12 0.08 6.55 4.77 -1.26 -4.53 117.00 125.49 2pas n LEU 67 Ca 0.42 -4.59 -0.23 0.00 -0.03 0.00 0.00 56.01 51.57 2pas n LEU 67 Cb 1.78 -0.90 -0.15 0.00 -2.33 0.00 0.00 43.42 41.83 2pas n LEU 67 CO 0.32 1.70 -0.52 0.50 -1.33 0.00 0.00 177.39 178.06 2pas h LYS 68 N 2.39 0.40 0.00 3.23 3.64 0.24 -2.40 116.57 124.08 2pas h LYS 68 Ca 0.55 -0.69 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2pas h LYS 68 Cb 0.64 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2pas h LYS 68 CO 1.40 1.33 -0.02 0.77 -2.27 0.00 0.00 179.45 180.65 2pas h SER 69 N 0.10 0.00 0.91 4.20 0.02 -1.80 0.96 113.55 117.94 2pas h SER 69 Ca -0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 2pas h SER 69 Cb 2.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.62 2pas h SER 69 CO 0.18 0.02 -1.14 -0.26 -1.14 0.00 0.00 176.83 174.50 2pas h PHE 70 N 0.00 0.00 -1.34 3.45 0.04 -1.87 -0.85 116.94 116.37 2pas h PHE 70 Ca -0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 2pas h PHE 70 Cb 0.20 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 38.14 2pas h PHE 70 CO 0.00 0.26 0.00 0.00 -0.60 0.00 0.00 178.31 177.97 2pas s ALA 71 N -3.16 -2.44 0.41 2.45 0.00 0.31 -4.67 121.76 114.66 2pas s ALA 71 Ca -0.01 2.09 0.26 0.00 0.00 0.00 0.00 51.96 54.29 2pas s ALA 71 Cb 0.09 -2.00 1.36 0.00 0.00 0.00 0.00 23.12 22.57 2pas s ALA 71 CO 0.79 -1.04 1.62 0.00 0.00 0.00 0.00 175.76 177.13 2pas h ALA 72 N 7.82 2.49 -1.61 0.00 0.00 -1.78 -2.40 119.26 123.77 2pas h ALA 72 Ca -0.17 0.16 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 2pas h ALA 72 Cb 1.12 0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.79 2pas h ALA 72 CO 0.10 -1.16 -1.04 -3.47 0.00 0.00 0.00 179.25 173.68 2pas n ASP 73 N -4.89 0.07 0.00 0.00 2.03 -1.26 -4.88 116.55 107.62 2pas n ASP 73 Ca 0.37 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.61 2pas n ASP 73 Cb 1.34 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 2pas n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pas n GLY 74 N 0.55 0.95 3.55 0.27 0.00 -0.90 -4.86 105.19 104.75 2pas n GLY 74 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2pas n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pas s ARG 75 N 0.00 3.53 -0.31 1.61 1.81 -1.26 -5.02 118.95 119.29 2pas s ARG 75 Ca 0.00 -0.10 -0.21 0.00 -1.72 0.00 0.00 55.73 53.70 2pas s ARG 75 Cb 0.00 -3.87 -0.00 0.00 -0.45 0.00 0.00 34.95 30.63 2pas s ARG 75 CO 0.00 -0.86 0.68 0.34 -0.68 0.00 0.00 175.30 174.78 2pas s ASP 76 N 1.89 6.53 0.66 0.23 2.15 -1.26 -4.70 116.67 122.17 2pas s ASP 76 Ca 0.24 0.45 -0.17 0.00 0.43 0.00 0.00 52.55 53.50 2pas s ASP 76 Cb -0.14 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2pas s ASP 76 CO 0.17 -0.54 1.23 -0.76 -0.17 0.00 0.00 175.17 175.10 2pas s LEU 77 N 2.73 3.50 -0.02 -1.34 2.01 -1.04 -4.89 118.68 119.64 2pas s LEU 77 Ca 0.27 2.44 0.20 0.00 0.01 0.00 0.00 54.13 57.06 2pas s LEU 77 Cb -0.15 -4.60 -0.24 0.00 0.01 0.00 0.00 46.19 41.21 2pas s LEU 77 CO 0.13 -1.98 0.52 0.35 1.01 0.00 0.00 176.35 176.38 2pas n THR 78 N -2.13 0.58 0.00 5.49 -2.24 -1.26 -4.98 114.28 109.73 2pas n THR 78 Ca 0.14 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2pas n THR 78 Cb 0.49 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2pas n THR 78 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pas n ASP 79 N -2.52 0.00 -0.16 3.42 -0.08 -1.26 -4.76 116.55 111.18 2pas n ASP 79 Ca -0.11 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.14 2pas n ASP 79 Cb 0.74 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.37 2pas n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pas h ALA 80 N 0.00 1.20 -0.61 -1.67 0.00 -1.97 0.39 119.26 116.60 2pas h ALA 80 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2pas h ALA 80 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2pas h ALA 80 CO 0.00 0.56 0.34 1.49 0.00 0.00 0.00 179.25 181.65 2pas h GLU 81 N 0.87 0.83 0.00 0.00 4.81 -1.91 0.20 114.58 119.39 2pas h GLU 81 Ca 0.20 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2pas h GLU 81 Cb 0.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2pas h GLU 81 CO -0.01 0.61 -0.06 1.15 -0.73 0.00 0.00 179.01 179.97 2pas h THR 82 N 0.85 0.11 0.00 0.32 2.02 -1.57 -2.33 112.91 112.30 2pas h THR 82 Ca 0.22 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2pas h THR 82 Cb 0.01 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2pas h THR 82 CO -0.04 0.06 0.00 1.17 0.37 0.00 0.00 175.52 177.08 2pas n LYS 83 N -3.12 0.05 -0.10 6.66 4.81 0.13 -1.70 118.16 124.88 2pas n LYS 83 Ca 0.03 0.09 -0.21 0.00 -0.87 0.00 0.00 58.31 57.35 2pas n LYS 83 Cb 0.50 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 2pas n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas h ALA 84 N 2.82 0.26 -0.26 3.14 0.00 -0.78 -2.92 119.26 121.51 2pas h ALA 84 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 54.91 53.73 2pas h ALA 84 Cb 0.49 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2pas h ALA 84 CO 0.00 0.70 0.13 0.35 0.00 0.00 0.00 179.25 180.43 2pas h PHE 85 N -1.00 0.25 -0.62 0.00 3.04 -1.52 0.09 116.94 117.19 2pas h PHE 85 Ca -0.34 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.60 2pas h PHE 85 Cb 1.28 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.69 2pas h PHE 85 CO 0.09 0.14 0.29 1.25 -2.02 0.00 0.00 178.31 178.06 2pas h LEU 86 N 0.28 0.81 -0.02 0.59 5.85 -1.50 0.17 115.31 121.50 2pas h LEU 86 Ca 0.11 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pas h LEU 86 Cb 0.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2pas h LEU 86 CO -0.07 0.72 0.00 1.17 -0.34 0.00 0.00 178.44 179.92 2pas n LYS 87 N -4.50 1.01 -0.00 1.25 3.00 -0.94 -1.39 118.16 116.59 2pas n LYS 87 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2pas n LYS 87 Cb 0.13 -1.27 -0.00 0.00 0.00 0.00 0.00 35.03 33.89 2pas n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas n ALA 88 N -0.74 2.01 -0.90 3.14 0.00 -0.02 -4.67 120.51 119.33 2pas n ALA 88 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2pas n ALA 88 Cb 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.56 2pas n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas n ALA 89 N -1.30 1.94 -3.16 0.00 0.00 0.51 -4.82 120.51 113.68 2pas n ALA 89 Ca -0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.70 2pas n ALA 89 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 2pas n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pas n ASP 90 N -0.68 1.89 -0.12 0.00 2.03 -0.49 -4.75 116.55 114.44 2pas n ASP 90 Ca 0.06 -3.15 -0.11 0.00 0.52 0.00 0.00 54.79 52.11 2pas n ASP 90 Cb 0.51 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.27 2pas n ASP 90 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2pas h LYS 91 N 3.38 0.63 0.00 -0.67 3.64 -1.88 -2.06 116.57 119.61 2pas h LYS 91 Ca 0.11 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2pas h LYS 91 Cb 0.80 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2pas h LYS 91 CO 0.61 0.75 0.00 -0.40 -2.27 0.00 0.00 179.45 178.13 2pas n ASP 92 N -4.49 0.63 -3.28 4.20 5.75 -1.26 -4.83 116.55 113.26 2pas n ASP 92 Ca -0.02 0.74 -0.21 0.00 -0.01 0.00 0.00 54.79 55.29 2pas n ASP 92 Cb 0.28 -0.84 0.07 0.00 -1.03 0.00 0.00 41.12 39.60 2pas n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pas n GLY 93 N -0.86 -0.39 0.22 6.12 0.00 -0.78 -4.88 105.19 104.62 2pas n GLY 93 Ca -0.00 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2pas n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pas n ASP 94 N -2.55 1.29 -0.24 1.61 5.75 -1.26 -4.94 116.55 116.21 2pas n ASP 94 Ca 0.01 -1.05 -0.03 0.00 -0.01 0.00 0.00 54.79 53.71 2pas n ASP 94 Cb 0.55 0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 41.17 2pas n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pas n GLY 95 N 1.44 0.62 3.15 6.12 0.00 -1.26 -4.99 105.19 110.27 2pas n GLY 95 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 2pas n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pas s LYS 96 N -1.61 0.27 -0.52 1.61 1.02 -1.26 -4.11 119.74 115.13 2pas s LYS 96 Ca 0.00 0.79 -0.15 0.00 0.02 0.00 0.00 55.97 56.62 2pas s LYS 96 Cb 0.00 0.04 0.11 0.00 -0.52 0.00 0.00 37.83 37.46 2pas s LYS 96 CO 0.00 -0.22 0.46 0.42 -0.92 0.00 0.00 175.35 175.09 2pas s ILE 97 N 1.97 5.17 0.00 2.17 1.09 -0.73 -4.82 121.20 126.04 2pas s ILE 97 Ca -0.04 -1.38 0.00 0.00 -1.10 0.00 0.00 60.65 58.13 2pas s ILE 97 Cb -0.11 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 2pas s ILE 97 CO -0.11 -0.77 0.00 0.61 -0.10 0.00 0.00 174.94 174.57 2pas n GLY 98 N 5.22 -2.42 0.00 6.18 0.00 -1.26 -1.63 105.19 111.27 2pas n GLY 98 Ca -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2pas n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pas n ILE 99 N -1.64 0.00 -0.39 -0.61 2.08 -1.26 -1.25 119.36 116.29 2pas n ILE 99 Ca 0.00 0.79 0.34 0.00 0.56 0.00 0.00 62.75 64.44 2pas n ILE 99 Cb 0.00 -1.65 0.58 0.00 -0.75 0.00 0.00 39.64 37.82 2pas n ILE 99 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2pas n ASP 100 N -1.66 0.21 -0.03 4.38 5.75 -1.26 0.25 116.55 124.18 2pas n ASP 100 Ca 0.00 1.27 -0.15 0.00 -0.01 0.00 0.00 54.79 55.90 2pas n ASP 100 Cb 0.00 -0.63 -0.09 0.00 -1.03 0.00 0.00 41.12 39.38 2pas n ASP 100 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2pas h GLU 101 N 0.00 0.41 0.18 0.11 3.07 -1.91 -1.71 114.58 114.73 2pas h GLU 101 Ca 0.77 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 2pas h GLU 101 Cb 2.40 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.38 2pas h GLU 101 CO -0.47 0.95 -0.09 0.35 -1.40 0.00 0.00 179.01 178.36 2pas h PHE 102 N -0.04 -0.23 0.00 4.33 3.57 0.48 -1.66 116.94 123.39 2pas h PHE 102 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2pas h PHE 102 Cb 1.01 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2pas h PHE 102 CO 0.12 0.13 0.00 -1.91 -2.23 0.00 0.00 178.31 174.42 2pas n GLU 103 N -5.03 0.02 -0.08 1.11 2.13 0.19 -1.07 120.64 117.90 2pas n GLU 103 Ca -0.09 0.24 -0.11 0.00 0.66 0.00 0.00 57.16 57.86 2pas n GLU 103 Cb 0.24 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 2pas n GLU 103 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2pas n THR 104 N -1.48 1.46 -0.14 6.31 -1.04 -0.64 -2.67 114.28 116.07 2pas n THR 104 Ca 0.04 0.12 -0.09 0.00 -2.04 0.00 0.00 64.05 62.07 2pas n THR 104 Cb 0.17 -2.26 -0.01 0.00 -1.82 0.00 0.00 70.33 66.41 2pas n THR 104 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2pas h LEU 105 N -1.00 0.63 -0.90 -4.42 5.85 -1.30 0.68 115.31 114.85 2pas h LEU 105 Ca -0.14 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.37 2pas h LEU 105 Cb 0.82 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2pas h LEU 105 CO -0.08 0.70 0.59 0.58 -0.34 0.00 0.00 178.44 179.89 2pas h VAL 106 N 0.54 1.20 0.00 1.05 2.07 -1.29 0.25 116.25 120.06 2pas h VAL 106 Ca 0.13 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2pas h VAL 106 Cb 0.31 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2pas h VAL 106 CO 0.00 0.22 0.00 0.45 0.02 0.00 0.00 177.57 178.26 2pas h HIS 107 N 1.19 0.00 -0.99 1.57 3.86 -1.23 -3.10 115.15 116.45 2pas h HIS 107 Ca 0.34 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.88 2pas h HIS 107 Cb -0.08 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 28.10 2pas h HIS 107 CO -0.01 0.00 0.84 0.39 0.86 0.00 0.00 177.93 180.01 2pas n GLU 108 N -2.58 2.70 0.00 2.45 -0.58 0.19 -4.73 120.64 118.10 2pas n GLU 108 Ca 0.03 -3.30 0.15 0.00 -0.42 0.00 0.00 57.16 53.62 2pas n GLU 108 Cb 0.35 -2.29 0.83 0.00 -0.57 0.00 0.00 31.44 29.76 2pas n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65