#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 5.04 0.03 0.00 0.00 -1.26 -4.33 120.51 120.00 2pas n ALA 2 Ca 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 53.44 50.65 2pas n ALA 2 Cb 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 2pas n ALA 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2pas h LYS 3 N 1.70 0.07 0.00 0.00 3.64 -1.78 -2.91 116.57 117.30 2pas h LYS 3 Ca 0.44 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2pas h LYS 3 Cb 2.53 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.40 2pas h LYS 3 CO 0.88 0.87 -0.45 -0.44 -2.27 0.00 0.00 179.45 178.04 2pas h ASP 4 N 0.02 0.00 0.12 4.20 5.19 -1.98 -3.35 116.42 120.62 2pas h ASP 4 Ca -0.17 -0.11 -0.36 0.00 -0.62 0.00 0.00 57.03 55.77 2pas h ASP 4 Cb 1.92 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.41 2pas h ASP 4 CO 0.12 0.05 -1.98 -0.11 -3.12 0.00 0.00 179.24 174.20 2pas n LEU 5 N -2.33 2.63 -4.02 1.55 7.94 -1.24 -5.00 117.00 116.51 2pas n LEU 5 Ca 0.03 0.22 -0.10 0.00 -1.11 0.00 0.00 56.01 55.05 2pas n LEU 5 Cb 0.46 -1.12 -0.07 0.00 0.53 0.00 0.00 43.42 43.22 2pas n LEU 5 CO 0.35 0.84 -0.04 -1.48 -1.11 0.00 0.00 177.39 175.95 2pas s LEU 6 N -7.07 0.95 0.00 -1.96 0.05 -1.10 -5.06 118.68 104.50 2pas s LEU 6 Ca -0.22 -0.99 0.00 0.00 0.05 0.00 0.00 54.13 52.96 2pas s LEU 6 Cb 0.07 1.08 0.00 0.00 -2.05 0.00 0.00 46.19 45.29 2pas s LEU 6 CO 0.77 -0.91 0.00 0.29 -0.55 0.00 0.00 176.35 175.94 2pas n LYS 7 N -0.24 0.00 0.00 1.48 4.76 -1.26 -4.29 118.16 118.60 2pas n LYS 7 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2pas n LYS 7 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2pas n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pas n ALA 8 N 0.00 0.00 0.17 7.82 0.00 -1.26 -4.93 120.51 122.31 2pas n ALA 8 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2pas n ALA 8 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 2pas n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pas h ASP 9 N 0.00 0.00 0.29 0.00 3.32 -2.00 0.23 116.42 118.26 2pas h ASP 9 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2pas h ASP 9 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2pas h ASP 9 CO 0.00 0.00 -0.71 0.44 -1.72 0.00 0.00 179.24 177.25 2pas h ASP 10 N 0.00 0.43 0.58 6.45 5.19 -1.90 -0.73 116.42 126.44 2pas h ASP 10 Ca 0.00 -0.28 -0.21 0.00 -0.62 0.00 0.00 57.03 55.92 2pas h ASP 10 Cb 0.09 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 2pas h ASP 10 CO 0.00 1.00 -1.57 -0.38 -3.12 0.00 0.00 179.24 175.17 2pas n ILE 11 N -3.84 1.31 0.18 0.35 -0.00 -0.03 -2.99 119.36 114.34 2pas n ILE 11 Ca -0.04 -0.73 0.08 0.00 -0.00 0.00 0.00 62.75 62.07 2pas n ILE 11 Cb 0.69 -0.80 0.10 0.00 -0.00 0.00 0.00 39.64 39.62 2pas n ILE 11 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2pas h LYS 12 N 0.00 0.00 0.13 0.38 6.56 -1.31 -3.07 116.57 119.26 2pas h LYS 12 Ca -0.22 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.01 2pas h LYS 12 Cb 1.74 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.38 2pas h LYS 12 CO 0.05 0.18 -1.99 1.63 -2.06 0.00 0.00 179.45 177.27 2pas n LYS 13 N -3.10 0.76 0.03 3.15 5.02 -0.28 -2.81 118.16 120.94 2pas n LYS 13 Ca 0.02 0.27 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 2pas n LYS 13 Cb 0.61 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 2pas n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pas h ALA 14 N 0.07 -0.03 -0.30 7.82 0.00 -1.64 -0.96 119.26 124.22 2pas h ALA 14 Ca -0.42 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2pas h ALA 14 Cb 2.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2pas h ALA 14 CO 0.09 -0.43 -0.12 -0.07 0.00 0.00 0.00 179.25 178.72 2pas h LEU 15 N -0.21 0.63 -1.87 0.00 3.38 -1.72 -2.05 115.31 113.47 2pas h LEU 15 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2pas h LEU 15 Cb 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pas h LEU 15 CO 0.01 0.88 0.00 0.44 0.09 0.00 0.00 178.44 179.85 2pas h ASP 16 N 0.38 0.00 1.08 -0.43 3.32 -1.48 1.01 116.42 120.29 2pas h ASP 16 Ca 0.07 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2pas h ASP 16 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2pas h ASP 16 CO 0.04 0.00 -0.96 0.00 -1.72 0.00 0.00 179.24 176.59 2pas h ALA 17 N 2.04 0.64 -0.42 3.45 0.00 -0.51 -3.39 119.26 121.08 2pas h ALA 17 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 2pas h ALA 17 Cb 0.14 0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.65 2pas h ALA 17 CO 0.00 0.46 -1.04 1.33 0.00 0.00 0.00 179.25 180.00 2pas n VAL 18 N -2.90 1.12 1.27 0.00 0.24 0.13 -4.89 118.33 113.31 2pas n VAL 18 Ca -0.03 -2.73 0.13 0.00 -2.04 0.00 0.00 64.34 59.67 2pas n VAL 18 Cb 0.69 1.24 0.39 0.00 -1.47 0.00 0.00 33.84 34.69 2pas n VAL 18 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2pas n LYS 19 N -0.66 0.93 -0.21 7.34 4.81 0.33 -4.02 118.16 126.68 2pas n LYS 19 Ca 0.05 -0.55 -0.07 0.00 -0.87 0.00 0.00 58.31 56.87 2pas n LYS 19 Cb 0.81 -1.49 0.06 0.00 0.02 0.00 0.00 35.03 34.43 2pas n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas n ALA 20 N -0.56 -0.95 -2.84 3.14 0.00 -1.26 -4.89 120.51 113.15 2pas n ALA 20 Ca 0.13 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2pas n ALA 20 Cb 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.47 4.65 0.00 0.00 1.02 -1.26 -4.06 120.64 118.51 2pas n GLU 21 Ca 0.04 -4.47 0.00 0.00 -0.02 0.00 0.00 57.16 52.71 2pas n GLU 21 Cb 0.15 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 2pas n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pas n GLY 22 N 1.13 -0.30 0.57 0.62 0.00 -1.26 -5.00 105.19 100.95 2pas n GLY 22 Ca 0.33 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 1.77 -4.79 1.61 3.41 -1.26 -4.89 113.62 109.47 2pas n SER 23 Ca 0.00 -1.61 -0.38 0.00 -0.26 0.00 0.00 58.87 56.62 2pas n SER 23 Cb 0.00 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.95 3.69 0.00 7.33 2.19 -1.26 -4.57 117.98 123.41 2pas s PHE 24 Ca 0.36 1.09 0.00 0.00 0.33 0.00 0.00 56.93 58.71 2pas s PHE 24 Cb 0.20 -2.48 0.00 0.00 -1.31 0.00 0.00 43.02 39.44 2pas s PHE 24 CO 0.32 0.45 0.00 0.09 1.83 0.00 0.00 175.22 177.91 2pas n ASN 25 N 2.42 0.00 0.00 6.13 4.13 -1.26 -4.83 115.26 121.85 2pas n ASN 25 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2pas n ASN 25 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 2pas n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pas n HIS 26 N -0.26 0.00 -0.08 3.10 1.44 -1.26 -4.25 115.22 113.91 2pas n HIS 26 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2pas n HIS 26 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 2pas n HIS 26 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2pas h LYS 27 N 0.00 0.00 0.00 -1.40 1.57 -1.97 -3.07 116.57 111.70 2pas h LYS 27 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2pas h LYS 27 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pas h LYS 27 CO 0.00 0.84 -0.22 1.57 -0.57 0.00 0.00 179.45 181.06 2pas h LYS 28 N -1.00 0.00 0.09 3.15 -0.00 -1.95 -0.54 116.57 116.33 2pas h LYS 28 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.51 2pas h LYS 28 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 2pas h LYS 28 CO -0.08 0.22 -0.04 0.35 -0.00 0.00 0.00 179.45 179.90 2pas h PHE 29 N 0.00 -0.11 -0.39 0.07 3.57 -1.88 -2.79 116.94 115.40 2pas h PHE 29 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2pas h PHE 29 Cb 0.68 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2pas h PHE 29 CO 0.00 -0.07 0.21 0.74 -2.23 0.00 0.00 178.31 176.96 2pas h PHE 30 N -0.54 0.51 -0.37 0.41 -1.00 -1.62 -1.66 116.94 112.67 2pas h PHE 30 Ca -0.01 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 2pas h PHE 30 Cb 0.09 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2pas h PHE 30 CO 0.02 0.36 -0.04 0.00 -1.61 0.00 0.00 178.31 177.04 2pas h ALA 31 N 1.70 1.24 0.08 2.45 0.00 -1.21 -2.32 119.26 121.20 2pas h ALA 31 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pas h ALA 31 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pas h ALA 31 CO -0.02 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.62 2pas h LEU 32 N 0.57 -0.10 -1.00 0.00 4.07 -1.03 -3.23 115.31 114.59 2pas h LEU 32 Ca 0.11 -0.49 0.17 0.00 0.08 0.00 0.00 57.88 57.76 2pas h LEU 32 Cb 0.42 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.08 2pas h LEU 32 CO 0.02 0.49 0.61 1.62 -1.08 0.00 0.00 178.44 180.10 2pas h VAL 33 N -0.74 0.75 0.00 1.22 3.04 -1.37 -3.46 116.25 115.69 2pas h VAL 33 Ca -0.01 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2pas h VAL 33 Cb 0.58 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2pas h VAL 33 CO 0.02 0.15 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 2pas n GLY 34 N -1.33 1.28 0.36 3.17 0.00 -0.91 -4.76 105.19 103.01 2pas n GLY 34 Ca 0.22 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.56 2pas n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pas n LEU 35 N 0.00 0.21 -0.09 0.99 7.99 -1.01 -0.14 117.00 124.95 2pas n LEU 35 Ca 0.00 1.23 -0.10 0.00 -0.01 0.00 0.00 56.01 57.13 2pas n LEU 35 Cb 0.00 -0.60 -0.05 0.00 -0.11 0.00 0.00 43.42 42.66 2pas n LEU 35 CO 0.00 -1.35 0.59 0.50 -1.51 0.00 0.00 177.39 175.62 2pas h LYS 36 N 0.00 -0.34 -1.51 3.23 3.11 -1.65 -2.56 116.57 116.85 2pas h LYS 36 Ca 0.73 0.02 -0.64 0.00 -2.81 0.00 0.00 60.65 57.96 2pas h LYS 36 Cb 2.25 0.08 -0.37 0.00 -1.00 0.00 0.00 32.23 33.19 2pas h LYS 36 CO -0.46 -0.23 -0.12 0.00 -2.81 0.00 0.00 179.45 175.83 2pas n ALA 37 N -3.02 5.57 -0.09 5.00 0.00 0.81 -4.46 120.51 124.32 2pas n ALA 37 Ca -0.01 -4.13 -0.07 0.00 0.00 0.00 0.00 53.44 49.22 2pas n ALA 37 Cb 0.35 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.92 2pas n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2pas n MET 38 N -0.56 2.07 -2.17 0.00 1.56 -0.97 -4.96 117.12 112.09 2pas n MET 38 Ca 0.46 -1.57 0.00 0.00 -0.27 0.00 0.00 57.70 56.32 2pas n MET 38 Cb 0.58 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.26 2pas n MET 38 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2pas n SER 39 N -0.13 -9.21 -0.26 6.12 3.41 -1.26 -3.13 113.62 109.15 2pas n SER 39 Ca 0.26 1.54 0.28 0.00 -0.26 0.00 0.00 58.87 60.69 2pas n SER 39 Cb 0.99 -5.15 0.43 0.00 -0.26 0.00 0.00 64.21 60.22 2pas n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pas n ALA 40 N 1.90 1.00 0.10 7.33 0.00 -1.26 -0.37 120.51 129.22 2pas n ALA 40 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 2pas n ALA 40 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 0.15 0.00 -1.24 -2.00 -1.48 115.58 110.71 2pas h ASN 41 Ca 0.50 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.40 2pas h ASN 41 Cb 2.70 0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.83 2pas h ASN 41 CO -0.01 0.19 0.00 0.47 -1.29 0.00 0.00 177.43 176.80 2pas n ASP 42 N -5.01 0.00 -0.05 1.15 8.00 0.50 -2.20 116.55 118.94 2pas n ASP 42 Ca -0.06 -0.29 -0.22 0.00 0.71 0.00 0.00 54.79 54.93 2pas n ASP 42 Cb 0.20 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.04 2pas n ASP 42 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pas n VAL 43 N -1.13 1.66 0.31 2.53 0.31 -0.17 -2.06 118.33 119.78 2pas n VAL 43 Ca 0.11 -0.40 0.20 0.00 -0.01 0.00 0.00 64.34 64.24 2pas n VAL 43 Cb 0.10 -1.84 0.94 0.00 -0.91 0.00 0.00 33.84 32.12 2pas n VAL 43 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2pas h LYS 44 N -0.40 0.00 0.02 5.55 1.57 -0.92 0.98 116.57 123.38 2pas h LYS 44 Ca -0.42 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 2pas h LYS 44 Cb 1.73 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.01 2pas h LYS 44 CO -0.06 0.01 -1.26 -0.22 -0.57 0.00 0.00 179.45 177.34 2pas h LYS 45 N 0.00 0.05 -0.46 3.15 3.64 -1.51 -1.48 116.57 119.96 2pas h LYS 45 Ca -0.00 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 2pas h LYS 45 Cb 0.27 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2pas h LYS 45 CO 0.00 0.90 -0.24 0.28 -2.27 0.00 0.00 179.45 178.13 2pas h VAL 46 N 0.01 1.27 0.02 2.00 2.07 -0.29 -2.89 116.25 118.45 2pas h VAL 46 Ca -0.12 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2pas h VAL 46 Cb 1.88 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2pas h VAL 46 CO 0.13 0.48 -0.01 0.15 0.02 0.00 0.00 177.57 178.34 2pas h PHE 47 N 0.82 -0.03 -1.81 1.57 3.04 -1.16 -1.41 116.94 117.96 2pas h PHE 47 Ca 0.10 -0.00 0.52 0.00 3.98 0.00 0.00 57.97 62.57 2pas h PHE 47 Cb 0.82 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.26 2pas h PHE 47 CO 0.06 0.26 1.30 -0.22 -2.02 0.00 0.00 178.31 177.69 2pas h LYS 48 N -0.32 0.00 0.16 1.11 1.63 -1.11 1.75 116.57 119.79 2pas h LYS 48 Ca -0.00 -0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 2pas h LYS 48 Cb 0.30 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.95 2pas h LYS 48 CO 0.01 0.00 -1.27 0.00 -3.45 0.00 0.00 179.45 174.73 2pas h ALA 49 N 1.10 0.01 -0.46 5.00 0.00 -1.11 -3.24 119.26 120.56 2pas h ALA 49 Ca 0.86 -0.92 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2pas h ALA 49 Cb 3.45 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 21.51 2pas h ALA 49 CO -0.01 0.67 0.42 0.82 0.00 0.00 0.00 179.25 181.16 2pas h ILE 50 N -0.18 0.49 -0.56 0.00 1.08 0.36 -2.22 117.51 116.48 2pas h ILE 50 Ca -0.25 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.68 2pas h ILE 50 Cb 1.85 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 36.20 2pas h ILE 50 CO 0.15 0.00 1.69 -0.67 -0.69 0.00 0.00 178.15 178.63 2pas n ASP 51 N -3.94 7.24 -0.16 1.72 2.03 -0.08 -4.72 116.55 118.64 2pas n ASP 51 Ca 0.08 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.60 2pas n ASP 51 Cb 0.62 -1.40 0.11 0.00 -0.72 0.00 0.00 41.12 39.73 2pas n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pas n ALA 52 N 2.21 0.18 -0.80 -1.67 0.00 -0.84 0.81 120.51 120.40 2pas n ALA 52 Ca 0.59 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 54.40 2pas n ALA 52 Cb 0.47 -0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.61 2pas n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pas n ASP 53 N -4.60 6.20 -2.27 0.00 5.68 -1.26 -4.84 116.55 115.46 2pas n ASP 53 Ca 0.09 -2.92 -0.11 0.00 -0.50 0.00 0.00 54.79 51.36 2pas n ASP 53 Cb 0.30 -1.07 -0.02 0.00 -1.14 0.00 0.00 41.12 39.19 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 0.61 -0.52 -0.73 2.12 0.00 0.24 -4.66 120.51 117.56 2pas n ALA 54 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2pas n ALA 54 Cb 0.56 -0.76 0.23 0.00 0.00 0.00 0.00 19.45 19.48 2pas n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pas n SER 55 N -0.71 4.22 -1.64 0.00 7.64 -1.26 -4.85 113.62 117.02 2pas n SER 55 Ca 0.03 -3.09 -0.08 0.00 1.01 0.00 0.00 58.87 56.74 2pas n SER 55 Cb 0.22 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.67 2pas n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pas n GLY 56 N -0.26 0.31 3.07 0.23 0.00 -1.26 -4.86 105.19 102.42 2pas n GLY 56 Ca 0.38 0.00 -0.12 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 -1.89 -0.15 -0.52 1.61 0.08 -1.26 -4.67 117.98 111.18 2pas s PHE 57 Ca 0.00 0.36 -0.22 0.00 0.12 0.00 0.00 56.93 57.19 2pas s PHE 57 Cb 0.00 0.05 0.05 0.00 -0.57 0.00 0.00 43.02 42.54 2pas s PHE 57 CO 0.00 -0.14 0.80 0.42 -0.10 0.00 0.00 175.22 176.20 2pas s ILE 58 N -0.23 4.61 0.41 0.64 -1.09 -1.04 -4.46 121.20 120.04 2pas s ILE 58 Ca -0.03 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2pas s ILE 58 Cb -0.03 -4.42 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 2pas s ILE 58 CO 0.01 -0.95 0.71 -1.61 -1.23 0.00 0.00 174.94 171.87 2pas s GLU 59 N 3.36 3.62 0.18 2.79 0.41 -1.26 -2.84 118.70 124.95 2pas s GLU 59 Ca 0.24 0.18 -0.18 0.00 -0.41 0.00 0.00 54.97 54.81 2pas s GLU 59 Cb -0.15 -2.46 0.14 0.00 -1.78 0.00 0.00 34.13 29.88 2pas s GLU 59 CO 0.17 -0.05 1.63 1.49 -0.49 0.00 0.00 175.26 178.01 2pas h GLU 60 N 0.82 -0.09 -0.50 1.61 4.81 -1.97 0.25 114.58 119.52 2pas h GLU 60 Ca -0.47 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.87 2pas h GLU 60 Cb 1.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2pas h GLU 60 CO 0.63 -0.06 0.35 1.05 -0.73 0.00 0.00 179.01 180.25 2pas h GLU 61 N -0.09 0.19 -0.06 1.92 4.11 -1.96 0.16 114.58 118.84 2pas h GLU 61 Ca 0.23 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.45 2pas h GLU 61 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2pas h GLU 61 CO -0.55 0.13 -0.78 0.93 0.07 0.00 0.00 179.01 178.80 2pas h GLU 62 N 0.20 0.43 -0.67 1.06 5.08 -0.90 -3.10 114.58 116.67 2pas h GLU 62 Ca 0.24 -0.38 0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2pas h GLU 62 Cb 0.67 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 2pas h GLU 62 CO -0.04 1.02 0.27 -0.07 -1.00 0.00 0.00 179.01 179.19 2pas h LEU 63 N 0.28 0.28 -0.17 1.33 3.38 0.44 0.15 115.31 121.00 2pas h LEU 63 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pas h LEU 63 Cb 1.38 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2pas h LEU 63 CO 0.14 0.15 0.11 0.50 0.09 0.00 0.00 178.44 179.42 2pas h LYS 64 N 0.45 0.22 -1.36 1.13 3.64 -1.44 -1.51 116.57 117.70 2pas h LYS 64 Ca 0.35 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.38 2pas h LYS 64 Cb 0.45 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.07 2pas h LYS 64 CO -0.33 0.16 0.43 1.19 -2.27 0.00 0.00 179.45 178.62 2pas n PHE 65 N -4.97 1.67 -0.04 1.91 3.72 -0.29 -3.92 117.46 115.54 2pas n PHE 65 Ca -0.04 -1.84 -0.08 0.00 -0.05 0.00 0.00 57.45 55.43 2pas n PHE 65 Cb 0.03 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 37.64 2pas n PHE 65 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2pas h VAL 66 N 0.88 0.84 -0.05 -4.37 3.04 0.31 -1.07 116.25 115.82 2pas h VAL 66 Ca 0.32 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 2pas h VAL 66 Cb 1.18 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2pas h VAL 66 CO 0.77 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 177.52 2pas n LEU 67 N -5.16 0.29 -0.25 3.16 4.77 -1.26 -3.93 117.00 114.62 2pas n LEU 67 Ca -0.02 -0.14 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2pas n LEU 67 Cb 0.11 -0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2pas n LEU 67 CO 0.26 0.07 1.06 0.50 -1.33 0.00 0.00 177.39 177.94 2pas h LYS 68 N 0.33 0.55 0.00 3.23 3.11 -1.17 1.54 116.57 124.16 2pas h LYS 68 Ca 0.00 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.73 2pas h LYS 68 Cb 0.07 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2pas h LYS 68 CO 0.00 0.37 -0.37 0.77 -2.81 0.00 0.00 179.45 177.40 2pas h SER 69 N 0.57 0.00 0.02 4.20 0.02 -1.77 -1.40 113.55 115.18 2pas h SER 69 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2pas h SER 69 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2pas h SER 69 CO -0.31 0.37 -0.03 0.49 -1.14 0.00 0.00 176.83 176.21 2pas n PHE 70 N -3.95 0.00 0.00 3.45 3.01 0.17 -3.99 117.46 116.15 2pas n PHE 70 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2pas n PHE 70 Cb 0.42 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2pas n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pas n ALA 71 N 0.03 0.00 0.03 4.37 0.00 0.48 -4.88 120.51 120.54 2pas n ALA 71 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 2pas n ALA 71 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 2pas n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas h ALA 72 N 0.00 -0.33 -1.55 0.00 0.00 -1.78 -2.82 119.26 112.78 2pas h ALA 72 Ca 0.00 0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.29 2pas h ALA 72 Cb 0.00 0.50 -0.39 0.00 0.00 0.00 0.00 17.79 17.90 2pas h ALA 72 CO 0.00 -0.76 -0.36 -0.25 0.00 0.00 0.00 179.25 177.88 2pas n ASP 73 N -5.38 5.23 0.00 0.00 8.00 -1.26 -4.67 116.55 118.46 2pas n ASP 73 Ca -0.04 -3.73 -0.00 0.00 0.71 0.00 0.00 54.79 51.73 2pas n ASP 73 Cb 0.30 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2pas n ASP 73 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pas h GLY 74 N 2.77 -0.00 0.00 0.44 0.00 -1.73 -3.44 103.07 101.11 2pas h GLY 74 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2pas h GLY 74 CO 0.95 -0.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.36 2pas n ARG 75 N -2.01 0.00 -2.02 4.80 3.00 -1.26 -5.02 116.66 114.15 2pas n ARG 75 Ca -0.00 0.20 -0.04 0.00 -0.00 0.00 0.00 57.85 58.00 2pas n ARG 75 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 32.46 31.83 2pas n ARG 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2pas n ASP 76 N -1.36 -3.39 -4.07 6.15 2.03 -1.26 -4.97 116.55 109.69 2pas n ASP 76 Ca 0.00 -0.21 -0.37 0.00 0.52 0.00 0.00 54.79 54.74 2pas n ASP 76 Cb 0.00 -1.91 0.06 0.00 -0.72 0.00 0.00 41.12 38.55 2pas n ASP 76 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2pas n LEU 77 N -1.99 -3.63 0.07 -2.67 4.32 -1.25 -4.88 117.00 106.97 2pas n LEU 77 Ca -0.02 0.07 0.11 0.00 -0.02 0.00 0.00 56.01 56.15 2pas n LEU 77 Cb 0.53 -0.70 -0.03 0.00 -1.62 0.00 0.00 43.42 41.60 2pas n LEU 77 CO 0.17 -3.79 -0.15 0.35 -1.22 0.00 0.00 177.39 172.76 2pas n THR 78 N -3.33 0.45 0.00 -5.08 -2.24 -1.26 -4.98 114.28 97.85 2pas n THR 78 Ca -0.01 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2pas n THR 78 Cb 0.66 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.54 0.00 -0.02 3.42 -0.08 -1.26 -4.78 116.55 111.29 2pas n ASP 79 Ca -0.01 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2pas n ASP 79 Cb 0.55 0.00 0.40 0.00 2.34 0.00 0.00 41.12 44.41 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 1.67 -0.32 -1.67 0.00 -1.98 0.12 119.26 117.09 2pas h ALA 80 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pas h ALA 80 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pas h ALA 80 CO 0.00 0.30 0.09 0.93 0.00 0.00 0.00 179.25 180.57 2pas h GLU 81 N 0.60 0.45 0.00 0.00 5.08 -1.90 0.45 114.58 119.26 2pas h GLU 81 Ca 0.16 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2pas h GLU 81 Cb -0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2pas h GLU 81 CO -0.03 0.41 -0.29 1.15 -1.00 0.00 0.00 179.01 179.24 2pas h THR 82 N 0.45 0.61 0.00 1.13 2.02 -1.19 -2.01 112.91 113.92 2pas h THR 82 Ca 0.11 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2pas h THR 82 Cb 0.15 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2pas h THR 82 CO -0.01 0.29 -0.19 1.17 0.37 0.00 0.00 175.52 177.15 2pas n LYS 83 N -3.32 0.02 -0.10 6.66 4.81 0.07 -2.69 118.16 123.62 2pas n LYS 83 Ca 0.01 0.01 -0.22 0.00 -0.87 0.00 0.00 58.31 57.24 2pas n LYS 83 Cb 0.53 -1.52 -0.12 0.00 0.02 0.00 0.00 35.03 33.95 2pas n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas n ALA 84 N -1.52 0.80 -0.11 3.14 0.00 -0.74 -2.85 120.51 119.23 2pas n ALA 84 Ca 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 2pas n ALA 84 Cb 0.34 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.25 2pas n ALA 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2pas h PHE 85 N -0.91 0.27 -0.46 0.00 3.04 -1.50 -0.14 116.94 117.24 2pas h PHE 85 Ca -0.36 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.57 2pas h PHE 85 Cb 1.38 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.80 2pas h PHE 85 CO 0.09 0.13 0.16 1.25 -2.02 0.00 0.00 178.31 177.91 2pas h LEU 86 N 0.32 0.67 0.00 0.59 5.85 -1.68 0.38 115.31 121.43 2pas h LEU 86 Ca 0.17 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pas h LEU 86 Cb 0.12 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2pas h LEU 86 CO -0.15 0.68 0.00 1.17 -0.34 0.00 0.00 178.44 179.80 2pas n LYS 87 N -4.55 0.84 0.00 1.25 4.81 -0.93 -1.25 118.16 118.33 2pas n LYS 87 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2pas n LYS 87 Cb 0.18 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.81 2pas n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas n ALA 88 N -0.91 1.91 -0.00 3.14 0.00 -0.11 -4.64 120.51 119.89 2pas n ALA 88 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2pas n ALA 88 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.11 2.02 -3.47 0.00 0.00 0.13 -4.81 120.51 113.27 2pas n ALA 89 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.20 2pas n ALA 89 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.47 2.30 0.20 0.00 2.03 -0.38 -4.74 116.55 115.49 2pas n ASP 90 Ca 0.00 -3.10 0.09 0.00 0.52 0.00 0.00 54.79 52.30 2pas n ASP 90 Cb 0.24 -0.67 0.33 0.00 -0.72 0.00 0.00 41.12 40.30 2pas n ASP 90 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2pas h LYS 91 N 4.55 0.00 -0.00 -0.67 2.10 -1.87 -2.74 116.57 117.94 2pas h LYS 91 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2pas h LYS 91 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2pas h LYS 91 CO 0.67 0.26 -0.16 -0.40 -2.00 0.00 0.00 179.45 177.83 2pas n ASP 92 N -3.31 0.52 -3.58 7.07 5.68 -1.26 -4.93 116.55 116.74 2pas n ASP 92 Ca 0.01 -0.51 -0.20 0.00 -0.50 0.00 0.00 54.79 53.59 2pas n ASP 92 Cb 0.51 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.51 2pas n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pas n GLY 93 N 1.32 -0.37 0.06 6.12 0.00 -1.03 -4.89 105.19 106.40 2pas n GLY 93 Ca 0.13 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.07 2.17 -2.66 1.61 5.75 -1.26 -4.96 116.55 114.12 2pas n ASP 94 Ca -0.24 -2.72 -0.11 0.00 -0.01 0.00 0.00 54.79 51.72 2pas n ASP 94 Cb 0.65 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.11 -0.49 3.15 6.12 0.00 -1.26 -4.89 105.19 106.70 2pas n GLY 95 Ca 0.11 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2pas n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pas s LYS 96 N -5.23 0.30 -0.34 1.61 2.20 -1.26 -4.25 119.74 112.76 2pas s LYS 96 Ca 0.08 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 2pas s LYS 96 Cb -0.05 0.05 0.10 0.00 -1.51 0.00 0.00 37.83 36.43 2pas s LYS 96 CO 0.10 -0.09 0.07 0.42 -0.36 0.00 0.00 175.35 175.50 2pas s ILE 97 N 0.65 1.95 0.00 5.43 1.09 -1.13 -4.89 121.20 124.30 2pas s ILE 97 Ca -0.04 -2.18 0.00 0.00 -1.10 0.00 0.00 60.65 57.33 2pas s ILE 97 Cb -0.05 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.90 2pas s ILE 97 CO -0.04 -0.63 0.00 0.61 -0.10 0.00 0.00 174.94 174.78 2pas n GLY 98 N 4.32 -2.03 0.00 6.18 0.00 -1.26 -2.49 105.19 109.90 2pas n GLY 98 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.28 0.00 -0.42 -0.61 2.08 -1.26 -1.51 119.36 116.36 2pas n ILE 99 Ca 0.00 0.71 0.35 0.00 0.56 0.00 0.00 62.75 64.38 2pas n ILE 99 Cb 0.00 -1.59 0.59 0.00 -0.75 0.00 0.00 39.64 37.90 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 -1.73 0.18 -0.03 4.38 5.68 -1.26 0.27 116.55 124.03 2pas n ASP 100 Ca 0.00 1.19 -0.15 0.00 -0.50 0.00 0.00 54.79 55.34 2pas n ASP 100 Cb 0.00 -0.59 -0.09 0.00 -1.14 0.00 0.00 41.12 39.30 2pas n ASP 100 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2pas h GLU 101 N 0.00 0.33 0.24 0.11 5.08 -1.92 -1.81 114.58 116.60 2pas h GLU 101 Ca 0.77 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2pas h GLU 101 Cb 2.50 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.80 2pas h GLU 101 CO -0.39 0.90 -0.11 0.35 -1.00 0.00 0.00 179.01 178.75 2pas h PHE 102 N -0.17 -0.30 0.00 4.33 3.57 0.49 -2.37 116.94 122.49 2pas h PHE 102 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2pas h PHE 102 Cb 0.95 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2pas h PHE 102 CO 0.13 0.07 0.00 -0.85 -2.23 0.00 0.00 178.31 175.43 2pas n GLU 103 N -5.05 0.05 -0.09 1.11 0.28 0.26 -0.97 120.64 116.24 2pas n GLU 103 Ca -0.09 0.43 -0.19 0.00 -0.16 0.00 0.00 57.16 57.16 2pas n GLU 103 Cb 0.26 -1.63 -0.12 0.00 1.43 0.00 0.00 31.44 31.38 2pas n GLU 103 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2pas h THR 104 N 0.00 1.26 0.27 3.84 2.02 -1.16 -2.82 112.91 116.31 2pas h THR 104 Ca 0.00 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.92 2pas h THR 104 Cb 0.13 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2pas h THR 104 CO 0.00 0.43 -0.13 0.25 0.37 0.00 0.00 175.52 176.44 2pas h LEU 105 N -0.99 -0.31 -1.23 2.58 5.85 -1.09 -1.59 115.31 118.53 2pas h LEU 105 Ca -0.21 -0.22 0.24 0.00 0.84 0.00 0.00 57.88 58.52 2pas h LEU 105 Cb 1.19 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 2pas h LEU 105 CO -0.13 0.14 0.63 0.58 -0.34 0.00 0.00 178.44 179.33 2pas h VAL 106 N -0.85 0.58 -0.31 1.05 2.07 -1.25 0.14 116.25 117.69 2pas h VAL 106 Ca -0.04 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 2pas h VAL 106 Cb 0.51 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2pas h VAL 106 CO 0.06 0.09 -0.41 0.45 0.02 0.00 0.00 177.57 177.78 2pas h HIS 107 N 0.51 1.01 -0.47 1.57 3.86 -1.39 -2.95 115.15 117.29 2pas h HIS 107 Ca 0.59 -0.33 -0.27 0.00 -1.16 0.00 0.00 60.37 59.20 2pas h HIS 107 Cb 1.28 -0.20 -0.14 0.00 1.06 0.00 0.00 27.41 29.41 2pas h HIS 107 CO -0.00 1.13 0.35 -0.85 0.86 0.00 0.00 177.93 179.41 2pas n GLU 108 N -4.12 1.66 0.00 2.45 0.28 0.43 -4.86 120.64 116.48 2pas n GLU 108 Ca -0.04 -1.46 0.14 0.00 -0.16 0.00 0.00 57.16 55.65 2pas n GLU 108 Cb 0.55 -1.57 0.62 0.00 1.43 0.00 0.00 31.44 32.47 2pas n GLU 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97