#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 2.66 0.42 0.00 0.00 -1.26 -4.35 120.51 117.97 2pas n ALA 2 Ca 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 53.44 52.10 2pas n ALA 2 Cb 0.00 -0.81 0.44 0.00 0.00 0.00 0.00 19.45 19.08 2pas n ALA 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2pas h LYS 3 N 3.40 0.00 0.00 0.00 1.57 -1.74 -3.00 116.57 116.80 2pas h LYS 3 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2pas h LYS 3 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2pas h LYS 3 CO 0.11 0.00 -0.62 -0.44 -0.57 0.00 0.00 179.45 177.93 2pas h ASP 4 N 0.00 0.00 0.07 0.86 5.19 -1.96 -3.35 116.42 117.23 2pas h ASP 4 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 2pas h ASP 4 Cb 0.64 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2pas h ASP 4 CO 0.00 0.55 -1.54 0.25 -3.12 0.00 0.00 179.24 175.38 2pas h LEU 5 N 0.00 0.23 0.00 1.55 5.85 -1.86 -3.50 115.31 117.59 2pas h LEU 5 Ca -0.02 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2pas h LEU 5 Cb 1.43 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2pas h LEU 5 CO 0.07 1.65 0.00 0.00 -0.34 0.00 0.00 178.44 179.82 2pas n LEU 6 N -3.98 0.00 0.00 2.25 -0.00 -1.14 -5.09 117.00 109.03 2pas n LEU 6 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 2pas n LEU 6 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.28 2pas n LEU 6 CO 0.32 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 178.00 2pas n LYS 7 N 0.00 0.00 0.00 1.47 4.01 -1.26 -4.09 118.16 118.29 2pas n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2pas n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2pas n LYS 7 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2pas n ALA 8 N 0.00 0.00 0.28 7.82 0.00 -1.26 -4.88 120.51 122.47 2pas n ALA 8 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2pas n ALA 8 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 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 0.94 0.00 3.32 -2.00 -1.43 116.42 117.26 2pas h ASP 9 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2pas h ASP 9 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2pas h ASP 9 CO 0.00 0.08 -0.59 0.44 -1.72 0.00 0.00 179.24 177.45 2pas h ASP 10 N 0.00 0.00 0.67 6.45 3.32 -1.91 -2.93 116.42 122.02 2pas h ASP 10 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pas h ASP 10 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pas h ASP 10 CO 0.01 0.59 -0.85 -0.38 -1.72 0.00 0.00 179.24 176.90 2pas n ILE 11 N -3.50 0.29 0.06 0.35 -0.00 -0.68 -2.90 119.36 112.97 2pas n ILE 11 Ca 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 62.75 62.41 2pas n ILE 11 Cb 0.67 0.01 -0.10 0.00 -0.00 0.00 0.00 39.64 40.21 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 1.79 -1.18 -2.54 116.57 115.14 2pas h LYS 12 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 2pas h LYS 12 Cb 0.76 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2pas h LYS 12 CO 0.00 0.85 -1.67 0.87 -1.08 0.00 0.00 179.45 178.43 2pas h LYS 13 N 0.00 0.27 0.33 3.15 1.79 -1.63 -2.96 116.57 117.51 2pas h LYS 13 Ca -0.05 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 57.94 2pas h LYS 13 Cb 1.75 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.58 2pas h LYS 13 CO 0.11 1.22 -0.16 0.00 -1.08 0.00 0.00 179.45 179.55 2pas h ALA 14 N -0.01 -0.44 -0.89 3.86 0.00 -1.65 -1.14 119.26 119.00 2pas h ALA 14 Ca -0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2pas h ALA 14 Cb 1.89 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 2pas h ALA 14 CO 0.08 -0.63 0.54 -0.07 0.00 0.00 0.00 179.25 179.16 2pas h LEU 15 N -0.67 1.06 -2.16 0.00 3.38 -1.64 0.77 115.31 116.06 2pas h LEU 15 Ca -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2pas h LEU 15 Cb 0.47 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pas h LEU 15 CO 0.07 0.82 -0.03 0.44 0.09 0.00 0.00 178.44 179.83 2pas h ASP 16 N 1.22 0.00 1.31 -0.43 3.32 -1.44 1.47 116.42 121.87 2pas h ASP 16 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2pas h ASP 16 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pas h ASP 16 CO -0.06 0.03 -0.60 0.00 -1.72 0.00 0.00 179.24 176.89 2pas h ALA 17 N 1.97 0.69 -0.31 3.45 0.00 0.41 -3.37 119.26 122.10 2pas h ALA 17 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2pas h ALA 17 Cb 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 2pas h ALA 17 CO 0.00 0.00 -1.09 1.33 0.00 0.00 0.00 179.25 179.50 2pas n VAL 18 N -2.72 0.93 0.85 0.00 0.24 0.11 -4.78 118.33 112.97 2pas n VAL 18 Ca 0.02 -2.39 0.13 0.00 -2.04 0.00 0.00 64.34 60.06 2pas n VAL 18 Cb 0.52 1.17 0.46 0.00 -1.47 0.00 0.00 33.84 34.53 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 -0.29 0.10 -1.13 7.34 0.00 0.48 -4.49 118.16 120.18 2pas n LYS 19 Ca 0.07 0.07 -0.30 0.00 0.00 0.00 0.00 58.31 58.15 2pas n LYS 19 Cb 0.90 -1.60 0.23 0.00 0.00 0.00 0.00 35.03 34.56 2pas n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas s ALA 20 N -3.05 0.71 -1.16 3.14 0.00 -1.26 -4.91 121.76 115.24 2pas s ALA 20 Ca 0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 2pas s ALA 20 Cb 0.16 -2.92 0.25 0.00 0.00 0.00 0.00 23.12 20.61 2pas s ALA 20 CO 0.59 -3.43 1.58 0.39 0.00 0.00 0.00 175.76 174.90 2pas n GLU 21 N -4.63 4.04 0.00 0.00 -0.58 -1.26 -3.82 120.64 114.38 2pas n GLU 21 Ca 0.12 -4.16 0.00 0.00 -0.42 0.00 0.00 57.16 52.70 2pas n GLU 21 Cb 0.59 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 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 2.12 0.69 1.39 0.62 0.00 -1.26 -5.02 105.19 103.73 2pas n GLY 22 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 3.22 -4.83 1.61 3.41 -1.25 -5.00 113.62 110.78 2pas n SER 23 Ca 0.00 -3.55 -0.36 0.00 -0.26 0.00 0.00 58.87 54.70 2pas n SER 23 Cb 0.00 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 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 -3.15 3.66 -0.06 7.33 2.19 -1.26 -4.17 117.98 122.51 2pas s PHE 24 Ca 0.48 1.16 -0.01 0.00 0.33 0.00 0.00 56.93 58.89 2pas s PHE 24 Cb 0.41 -2.44 0.03 0.00 -1.31 0.00 0.00 43.02 39.71 2pas s PHE 24 CO 0.05 0.45 0.00 -0.80 1.83 0.00 0.00 175.22 176.75 2pas s ASN 25 N -1.57 1.42 0.44 6.13 0.01 -1.26 -5.00 114.94 115.11 2pas s ASN 25 Ca 0.37 -0.07 0.15 0.00 -0.71 0.00 0.00 52.86 52.60 2pas s ASN 25 Cb -0.16 -0.40 1.00 0.00 0.41 0.00 0.00 41.25 42.10 2pas s ASN 25 CO 0.19 -0.18 1.98 1.12 -1.51 0.00 0.00 177.10 178.70 2pas h HIS 26 N 8.16 0.00 0.00 2.20 2.07 -1.97 0.25 115.15 125.86 2pas h HIS 26 Ca -0.22 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.29 2pas h HIS 26 Cb 1.13 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.11 2pas h HIS 26 CO 0.48 0.20 -0.05 0.87 -3.07 0.00 0.00 177.93 176.37 2pas h LYS 27 N 0.00 0.00 -0.43 5.12 1.57 -1.95 -3.09 116.57 117.78 2pas h LYS 27 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2pas h LYS 27 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2pas h LYS 27 CO 0.03 0.33 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.90 2pas h LYS 28 N -1.00 0.84 0.43 3.15 3.64 -1.92 -0.35 116.57 121.36 2pas h LYS 28 Ca -0.01 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2pas h LYS 28 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2pas h LYS 28 CO -0.00 0.96 -0.38 0.35 -2.27 0.00 0.00 179.45 178.10 2pas h PHE 29 N 0.67 -1.04 -0.52 1.91 3.57 -1.11 -1.87 116.94 118.55 2pas h PHE 29 Ca 0.11 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2pas h PHE 29 Cb 0.65 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2pas h PHE 29 CO 0.05 -0.52 0.08 0.74 -2.23 0.00 0.00 178.31 176.43 2pas h PHE 30 N -0.79 0.85 -0.84 0.41 -1.00 -1.60 -1.93 116.94 112.04 2pas h PHE 30 Ca -0.06 -0.10 0.15 0.00 2.81 0.00 0.00 57.97 60.78 2pas h PHE 30 Cb 0.68 -0.24 -0.10 0.00 3.61 0.00 0.00 35.95 39.90 2pas h PHE 30 CO -0.17 0.75 0.42 0.00 -1.61 0.00 0.00 178.31 177.70 2pas h ALA 31 N 1.31 1.27 0.04 2.45 0.00 -0.84 -1.79 119.26 121.69 2pas h ALA 31 Ca 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pas h ALA 31 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2pas h ALA 31 CO 0.01 -0.11 -0.02 -0.07 0.00 0.00 0.00 179.25 179.06 2pas h LEU 32 N 0.60 -0.05 -0.96 0.00 3.38 -0.86 -3.30 115.31 114.12 2pas h LEU 32 Ca 0.46 -0.54 0.11 0.00 0.09 0.00 0.00 57.88 58.00 2pas h LEU 32 Cb 0.67 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 2pas h LEU 32 CO -0.37 0.54 -0.52 0.58 0.09 0.00 0.00 178.44 178.77 2pas h VAL 33 N -0.67 0.00 0.00 1.22 2.07 -0.59 -3.46 116.25 114.83 2pas h VAL 33 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2pas h VAL 33 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2pas h VAL 33 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2pas n GLY 34 N -1.33 1.68 0.05 2.17 0.00 -0.80 -4.72 105.19 102.24 2pas n GLY 34 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.19 0.00 0.99 7.94 -1.26 -1.34 117.00 123.52 2pas n LEU 35 Ca 0.00 0.59 0.11 0.00 -1.11 0.00 0.00 56.01 55.59 2pas n LEU 35 Cb 0.00 -0.61 0.64 0.00 0.53 0.00 0.00 43.42 43.98 2pas n LEU 35 CO 0.00 -0.64 0.84 2.29 -1.11 0.00 0.00 177.39 178.77 2pas n LYS 36 N -1.75 0.76 -2.47 1.96 2.85 -1.26 -3.82 118.16 114.42 2pas n LYS 36 Ca -0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 2pas n LYS 36 Cb 0.02 -1.44 0.06 0.00 -0.65 0.00 0.00 35.03 33.02 2pas n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2pas n ALA 37 N -0.94 0.13 -0.09 0.58 0.00 -0.45 -4.58 120.51 115.15 2pas n ALA 37 Ca 0.16 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2pas n ALA 37 Cb 0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 2pas n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pas n MET 38 N -0.72 0.52 0.00 0.00 2.81 -1.16 -5.06 117.12 113.50 2pas n MET 38 Ca -0.13 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2pas n MET 38 Cb 0.74 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2pas n MET 38 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2pas n SER 39 N -4.48 0.00 -0.54 7.83 3.41 -1.26 -4.93 113.62 113.65 2pas n SER 39 Ca -0.20 0.00 0.41 0.00 -0.26 0.00 0.00 58.87 58.82 2pas n SER 39 Cb 0.51 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.08 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 0.00 1.45 0.01 7.33 0.00 -1.26 0.80 120.51 128.84 2pas n ALA 40 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 2pas n ALA 40 Cb 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.10 0.09 0.00 -1.24 -1.99 -1.96 115.58 110.37 2pas h ASN 41 Ca 0.72 -0.48 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2pas h ASN 41 Cb 2.92 0.03 0.00 0.00 0.73 0.00 0.00 38.32 42.00 2pas h ASN 41 CO -0.01 0.54 0.00 0.47 -1.29 0.00 0.00 177.43 177.14 2pas n ASP 42 N -4.83 0.00 -0.07 1.15 9.92 0.24 -1.97 116.55 120.98 2pas n ASP 42 Ca -0.08 -0.47 -0.22 0.00 -0.53 0.00 0.00 54.79 53.48 2pas n ASP 42 Cb 0.29 -0.07 -0.12 0.00 -0.64 0.00 0.00 41.12 40.58 2pas n ASP 42 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2pas n VAL 43 N -1.07 1.62 0.27 2.53 0.31 0.14 -2.34 118.33 119.80 2pas n VAL 43 Ca 0.14 -0.36 0.15 0.00 -0.01 0.00 0.00 64.34 64.26 2pas n VAL 43 Cb 0.09 -1.85 0.76 0.00 -0.91 0.00 0.00 33.84 31.93 2pas n VAL 43 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2pas h LYS 44 N -0.52 0.00 0.01 5.55 2.10 -1.10 0.26 116.57 122.88 2pas h LYS 44 Ca -0.45 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.99 2pas h LYS 44 Cb 1.67 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.98 2pas h LYS 44 CO -0.13 0.09 -0.95 0.87 -2.00 0.00 0.00 179.45 177.33 2pas h LYS 45 N 0.00 0.05 -0.15 0.07 6.56 -1.48 -1.73 116.57 119.89 2pas h LYS 45 Ca -0.00 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.46 2pas h LYS 45 Cb 0.38 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2pas h LYS 45 CO 0.01 0.96 -0.12 0.28 -2.06 0.00 0.00 179.45 178.52 2pas h VAL 46 N 0.02 1.34 0.20 0.50 2.07 -0.58 -2.85 116.25 116.95 2pas h VAL 46 Ca -0.03 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2pas h VAL 46 Cb 1.66 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2pas h VAL 46 CO 0.13 0.37 -0.12 0.15 0.02 0.00 0.00 177.57 178.12 2pas h PHE 47 N -0.01 -0.32 -0.75 1.57 3.04 -1.31 0.22 116.94 119.38 2pas h PHE 47 Ca 0.03 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.19 2pas h PHE 47 Cb 0.64 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.23 2pas h PHE 47 CO 0.08 -0.19 0.77 -0.22 -2.02 0.00 0.00 178.31 176.72 2pas h LYS 48 N -0.31 0.00 0.08 1.11 3.11 -1.30 0.90 116.57 120.14 2pas h LYS 48 Ca -0.02 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.51 2pas h LYS 48 Cb 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 2pas h LYS 48 CO 0.02 0.00 -1.70 0.00 -2.81 0.00 0.00 179.45 174.96 2pas h ALA 49 N 1.17 0.49 -0.87 5.00 0.00 -0.58 -3.30 119.26 121.17 2pas h ALA 49 Ca 0.35 -1.31 0.14 0.00 0.00 0.00 0.00 54.91 54.10 2pas h ALA 49 Cb 1.88 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 20.06 2pas h ALA 49 CO -0.00 1.35 0.57 0.82 0.00 0.00 0.00 179.25 181.98 2pas h ILE 50 N 0.04 0.83 -0.42 0.00 1.08 0.37 -3.13 117.51 116.29 2pas h ILE 50 Ca -0.30 -0.23 -0.54 0.00 -0.39 0.00 0.00 64.86 63.41 2pas h ILE 50 Cb 2.01 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2pas h ILE 50 CO 0.11 0.12 1.87 -0.67 -0.69 0.00 0.00 178.15 178.90 2pas n ASP 51 N -4.55 3.55 -2.00 1.72 2.03 -0.62 -4.79 116.55 111.88 2pas n ASP 51 Ca 0.17 -2.77 -0.11 0.00 0.52 0.00 0.00 54.79 52.60 2pas n ASP 51 Cb 0.47 -1.60 -0.16 0.00 -0.72 0.00 0.00 41.12 39.11 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 10.40 6.17 -1.29 -1.67 0.00 -1.18 -4.40 120.51 128.54 2pas n ALA 52 Ca 0.48 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2pas n ALA 52 Cb 0.44 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 2.49 0.00 0.00 0.00 5.75 -1.26 -5.04 116.55 118.49 2pas n ASP 53 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2pas n ASP 53 Cb 0.88 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 2pas n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pas n ALA 54 N -3.00 0.00 -2.53 2.12 0.00 -1.26 -5.04 120.51 110.80 2pas n ALA 54 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2pas n ALA 54 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.79 -2.28 0.00 3.41 -1.26 -4.97 113.62 109.31 2pas n SER 55 Ca 0.00 -2.02 -0.04 0.00 -0.26 0.00 0.00 58.87 56.55 2pas n SER 55 Cb 0.00 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.08 -0.37 3.22 5.00 0.00 -1.26 -4.80 105.19 107.06 2pas n GLY 56 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.69 0.02 -0.47 1.61 0.08 -1.26 -4.80 117.98 111.46 2pas s PHE 57 Ca 0.09 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2pas s PHE 57 Cb -0.05 0.02 0.11 0.00 -0.57 0.00 0.00 43.02 42.53 2pas s PHE 57 CO 0.11 -0.51 0.35 0.42 -0.10 0.00 0.00 175.22 175.49 2pas s ILE 58 N -3.04 4.43 0.58 0.64 1.09 -1.11 -4.31 121.20 119.48 2pas s ILE 58 Ca -0.01 -1.59 -0.03 0.00 -1.10 0.00 0.00 60.65 57.92 2pas s ILE 58 Cb 0.01 -3.83 0.02 0.00 -1.06 0.00 0.00 42.46 37.60 2pas s ILE 58 CO -0.06 -0.70 0.85 -1.61 -0.10 0.00 0.00 174.94 173.31 2pas s GLU 59 N 1.43 2.70 0.38 2.79 2.02 -1.26 -2.15 118.70 124.61 2pas s GLU 59 Ca 0.04 -0.35 0.18 0.00 0.02 0.00 0.00 54.97 54.87 2pas s GLU 59 Cb -0.26 -2.36 1.13 0.00 0.10 0.00 0.00 34.13 32.74 2pas s GLU 59 CO 0.01 -0.73 1.72 0.93 0.02 0.00 0.00 175.26 177.21 2pas h GLU 60 N -0.09 0.34 -0.68 1.61 3.07 -1.99 0.32 114.58 117.18 2pas h GLU 60 Ca -0.45 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2pas h GLU 60 Cb 1.28 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 2pas h GLU 60 CO 0.58 0.23 0.38 1.49 -1.40 0.00 0.00 179.01 180.29 2pas h GLU 61 N 0.36 0.94 0.00 2.33 4.57 -1.96 -0.72 114.58 120.11 2pas h GLU 61 Ca 0.67 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.72 2pas h GLU 61 Cb 1.69 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2pas h GLU 61 CO -0.40 0.70 -0.12 0.93 -1.18 0.00 0.00 179.01 178.94 2pas h GLU 62 N 0.93 0.00 0.00 1.92 4.39 -0.73 -1.86 114.58 119.23 2pas h GLU 62 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2pas h GLU 62 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2pas h GLU 62 CO -0.04 0.12 0.00 -0.07 -1.16 0.00 0.00 179.01 177.86 2pas h LEU 63 N 0.00 0.00 0.01 1.33 3.38 0.21 0.38 115.31 120.62 2pas h LEU 63 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2pas h LEU 63 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2pas h LEU 63 CO 0.02 0.00 -1.67 0.50 0.09 0.00 0.00 178.44 177.38 2pas h LYS 64 N 0.00 0.01 -0.00 1.13 3.64 -0.61 -3.34 116.57 117.40 2pas h LYS 64 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pas h LYS 64 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2pas h LYS 64 CO 0.00 0.56 -0.67 1.19 -2.27 0.00 0.00 179.45 178.27 2pas n PHE 65 N -3.09 0.00 -0.28 1.91 3.01 -1.12 -2.54 117.46 115.36 2pas n PHE 65 Ca -0.16 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.60 2pas n PHE 65 Cb 1.04 -0.12 0.47 0.00 -0.01 0.00 0.00 39.48 40.87 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 -1.28 0.00 0.01 -4.37 3.14 0.11 0.16 118.33 116.09 2pas n VAL 66 Ca 0.06 1.24 -0.22 0.00 -2.96 0.00 0.00 64.34 62.46 2pas n VAL 66 Cb 0.35 -2.19 -0.14 0.00 -1.06 0.00 0.00 33.84 30.79 2pas n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2pas h LEU 67 N 0.00 0.38 -2.01 6.55 -0.00 -1.87 -3.32 115.31 115.04 2pas h LEU 67 Ca 0.54 -0.85 0.15 0.00 -0.00 0.00 0.00 57.88 57.72 2pas h LEU 67 Cb 2.94 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 43.46 2pas h LEU 67 CO -0.01 1.65 0.44 0.50 -0.00 0.00 0.00 178.44 181.02 2pas h LYS 68 N -0.28 0.00 -0.00 1.13 3.64 0.13 0.16 116.57 121.35 2pas h LYS 68 Ca -0.32 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 2pas h LYS 68 Cb 1.78 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 2pas h LYS 68 CO 0.05 0.00 -0.67 0.77 -2.27 0.00 0.00 179.45 177.33 2pas h SER 69 N 0.00 0.01 0.58 4.20 0.02 -1.49 0.92 113.55 117.79 2pas h SER 69 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2pas h SER 69 Cb 1.12 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2pas h SER 69 CO -0.00 0.68 -1.20 0.49 -1.14 0.00 0.00 176.83 175.66 2pas n PHE 70 N -3.75 0.50 0.00 3.45 3.72 0.41 -4.10 117.46 117.69 2pas n PHE 70 Ca -0.01 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2pas n PHE 70 Cb 0.66 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2pas n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pas n ALA 71 N -2.05 1.64 0.00 4.37 0.00 -0.23 -4.97 120.51 119.27 2pas n ALA 71 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pas n ALA 71 Cb 0.51 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2pas n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas n ALA 72 N -1.42 0.00 -2.54 0.00 0.00 0.32 -4.42 120.51 112.45 2pas n ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2pas n ALA 72 Cb 0.20 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.69 2pas n ALA 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pas n ASP 73 N 1.50 -0.18 0.00 0.00 2.03 -1.26 -4.68 116.55 113.96 2pas n ASP 73 Ca 0.00 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.23 2pas n ASP 73 Cb 0.00 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.63 1.34 0.00 0.27 0.00 -1.26 -4.89 105.19 100.02 2pas n GLY 74 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2pas n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pas n ARG 75 N -0.77 0.00 -1.46 1.61 5.12 -1.26 -5.08 116.66 114.81 2pas n ARG 75 Ca 0.00 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2pas n ARG 75 Cb 0.00 -0.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 2pas n ARG 75 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2pas n ASP 76 N -2.25 -1.95 -3.65 0.55 -0.08 -1.26 -4.94 116.55 102.97 2pas n ASP 76 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 2pas n ASP 76 Cb 0.00 -0.98 0.02 0.00 2.34 0.00 0.00 41.12 42.50 2pas n ASP 76 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2pas n LEU 77 N 0.00 -4.05 -0.03 -2.67 7.99 -1.05 -4.88 117.00 112.30 2pas n LEU 77 Ca 0.00 0.41 0.04 0.00 -0.01 0.00 0.00 56.01 56.45 2pas n LEU 77 Cb 0.00 -0.72 -0.15 0.00 -0.11 0.00 0.00 43.42 42.44 2pas n LEU 77 CO 0.00 -4.65 -0.82 0.35 -1.51 0.00 0.00 177.39 170.77 2pas n THR 78 N -1.67 0.54 0.00 -5.08 -2.24 -1.26 -4.98 114.28 99.60 2pas n THR 78 Ca 0.04 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2pas n THR 78 Cb 0.44 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2pas n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2pas n ASP 79 N -2.47 0.00 -0.20 3.42 8.00 -1.26 -4.79 116.55 119.24 2pas n ASP 79 Ca -0.13 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.32 2pas n ASP 79 Cb 0.77 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 42.00 2pas n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pas h ALA 80 N 0.00 1.11 -0.50 2.24 0.00 -1.97 0.11 119.26 120.25 2pas h ALA 80 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2pas h ALA 80 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2pas h ALA 80 CO 0.00 0.60 0.22 0.93 0.00 0.00 0.00 179.25 181.01 2pas h GLU 81 N 0.95 0.71 0.00 0.00 5.08 -1.95 0.16 114.58 119.54 2pas h GLU 81 Ca 0.21 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2pas h GLU 81 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2pas h GLU 81 CO -0.01 0.57 -0.17 1.15 -1.00 0.00 0.00 179.01 179.55 2pas h THR 82 N 0.71 0.35 -0.00 1.13 2.02 -1.61 -1.85 112.91 113.66 2pas h THR 82 Ca 0.18 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2pas h THR 82 Cb 0.10 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2pas h THR 82 CO -0.02 0.17 -0.06 0.29 0.37 0.00 0.00 175.52 176.27 2pas n LYS 83 N -3.22 0.07 -0.07 6.66 4.76 0.49 -2.52 118.16 124.33 2pas n LYS 83 Ca 0.02 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 2pas n LYS 83 Cb 0.49 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.05 2pas n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pas h ALA 84 N 3.07 0.26 -0.16 7.82 0.00 -0.45 -2.96 119.26 126.85 2pas h ALA 84 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2pas h ALA 84 Cb 0.47 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2pas h ALA 84 CO 0.00 0.77 0.10 0.35 0.00 0.00 0.00 179.25 180.47 2pas h PHE 85 N -0.72 0.20 -0.42 0.00 3.04 -1.55 0.12 116.94 117.61 2pas h PHE 85 Ca -0.33 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 2pas h PHE 85 Cb 1.47 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.89 2pas h PHE 85 CO 0.11 0.14 0.23 1.25 -2.02 0.00 0.00 178.31 178.02 2pas h LEU 86 N 0.20 0.52 -0.62 0.59 5.85 -1.66 0.38 115.31 120.57 2pas h LEU 86 Ca 0.06 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pas h LEU 86 Cb -0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2pas h LEU 86 CO -0.01 0.46 0.00 0.29 -0.34 0.00 0.00 178.44 178.83 2pas n LYS 87 N -4.72 1.39 -0.00 1.25 5.02 -1.07 -1.47 118.16 118.55 2pas n LYS 87 Ca 0.01 -0.60 0.01 0.00 -2.02 0.00 0.00 58.31 55.70 2pas n LYS 87 Cb 0.08 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 2pas n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pas n ALA 88 N -0.02 2.10 -0.03 7.82 0.00 0.39 -4.76 120.51 126.01 2pas n ALA 88 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2pas n ALA 88 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.62 1.85 -2.79 0.00 0.00 0.05 -4.89 120.51 113.11 2pas n ALA 89 Ca -0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2pas n ALA 89 Cb 0.10 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 2pas n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pas s ASP 90 N -3.86 6.20 -0.12 0.00 -1.08 -0.54 -4.86 116.67 112.42 2pas s ASP 90 Ca -0.04 -0.95 -0.27 0.00 -0.52 0.00 0.00 52.55 50.78 2pas s ASP 90 Cb 0.02 -2.45 -0.24 0.00 -1.46 0.00 0.00 42.92 38.79 2pas s ASP 90 CO 0.23 -1.51 0.83 0.11 0.52 0.00 0.00 175.17 175.35 2pas h LYS 91 N 9.64 -0.01 0.00 4.34 1.57 -1.90 -3.21 116.57 126.99 2pas h LYS 91 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2pas h LYS 91 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2pas h LYS 91 CO 1.21 0.85 0.00 -0.40 -0.57 0.00 0.00 179.45 180.53 2pas n ASP 92 N -4.67 0.00 -3.59 0.86 5.68 -1.26 -4.90 116.55 108.67 2pas n ASP 92 Ca -0.09 0.17 -0.24 0.00 -0.50 0.00 0.00 54.79 54.13 2pas n ASP 92 Cb 0.41 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.60 -0.79 0.09 6.12 0.00 -1.22 -4.89 105.19 105.11 2pas n GLY 93 Ca 0.08 0.37 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 2pas n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pas h ASP 94 N -1.69 0.00 0.00 1.61 2.03 -1.90 -3.48 116.42 112.99 2pas h ASP 94 Ca -0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.67 2pas h ASP 94 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 2pas h ASP 94 CO 0.50 0.66 0.00 0.61 -1.03 0.00 0.00 179.24 179.98 2pas n GLY 95 N 1.42 2.34 3.01 7.15 0.00 -1.26 -5.07 105.19 112.78 2pas n GLY 95 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.27 1.28 -0.51 1.61 3.01 -1.26 -4.23 119.74 119.37 2pas s LYS 96 Ca 0.00 -0.35 -0.20 0.00 -1.01 0.00 0.00 55.97 54.41 2pas s LYS 96 Cb 0.00 -1.13 0.05 0.00 -1.01 0.00 0.00 37.83 35.74 2pas s LYS 96 CO 0.00 0.08 0.68 0.42 0.51 0.00 0.00 175.35 177.04 2pas s ILE 97 N 0.42 4.79 0.54 2.17 -1.09 -0.92 -4.90 121.20 122.21 2pas s ILE 97 Ca -0.08 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 2pas s ILE 97 Cb -0.12 -4.34 0.13 0.00 -1.58 0.00 0.00 42.46 36.55 2pas s ILE 97 CO 0.02 -0.85 0.69 0.61 -1.23 0.00 0.00 174.94 174.18 2pas n GLY 98 N 5.16 -1.50 0.00 6.18 0.00 -1.26 -2.76 105.19 111.01 2pas n GLY 98 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.08 0.00 -0.42 -0.61 2.08 -1.26 -1.05 119.36 115.02 2pas n ILE 99 Ca 0.09 1.07 0.37 0.00 0.56 0.00 0.00 62.75 64.84 2pas n ILE 99 Cb 0.31 -2.05 0.63 0.00 -0.75 0.00 0.00 39.64 37.78 2pas n ILE 99 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2pas n ASP 100 N -1.93 0.24 -0.05 4.38 8.00 -1.26 0.25 116.55 126.18 2pas n ASP 100 Ca 0.00 1.40 -0.15 0.00 0.71 0.00 0.00 54.79 56.76 2pas n ASP 100 Cb 0.00 -0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 40.34 2pas n ASP 100 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2pas h GLU 101 N 0.00 0.51 0.59 -1.24 4.57 -1.92 -2.24 114.58 114.84 2pas h GLU 101 Ca 0.84 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.65 2pas h GLU 101 Cb 2.60 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 31.24 2pas h GLU 101 CO -0.52 0.96 -0.28 0.35 -1.18 0.00 0.00 179.01 178.33 2pas h PHE 102 N 0.13 -0.73 0.00 0.92 3.57 0.50 -1.48 116.94 119.85 2pas h PHE 102 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2pas h PHE 102 Cb 0.97 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2pas h PHE 102 CO 0.10 -0.43 0.05 1.49 -2.23 0.00 0.00 178.31 177.29 2pas h GLU 103 N -1.18 0.00 0.15 1.11 4.81 -0.11 -0.49 114.58 118.87 2pas h GLU 103 Ca -0.08 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.81 2pas h GLU 103 Cb 0.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2pas h GLU 103 CO 0.13 0.00 -1.73 1.15 -0.73 0.00 0.00 179.01 177.84 2pas h THR 104 N 0.00 0.94 0.03 0.32 2.02 -1.26 -3.00 112.91 111.96 2pas h THR 104 Ca 0.00 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.60 2pas h THR 104 Cb 0.10 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2pas h THR 104 CO 0.00 0.83 -0.02 -0.07 0.37 0.00 0.00 175.52 176.64 2pas h LEU 105 N 0.08 -0.04 -0.94 2.58 -0.00 -0.11 -2.80 115.31 114.09 2pas h LEU 105 Ca -0.32 -0.58 0.09 0.00 -0.00 0.00 0.00 57.88 57.07 2pas h LEU 105 Cb 2.06 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 42.66 2pas h LEU 105 CO 0.15 0.72 0.58 0.58 -0.00 0.00 0.00 178.44 180.47 2pas h VAL 106 N -0.95 0.99 -0.35 1.22 2.07 -1.34 0.31 116.25 118.18 2pas h VAL 106 Ca -0.00 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2pas h VAL 106 Cb 0.61 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2pas h VAL 106 CO 0.01 0.18 -0.11 0.45 0.02 0.00 0.00 177.57 178.12 2pas h HIS 107 N 1.00 0.66 -0.01 1.57 3.86 -1.63 -2.23 115.15 118.38 2pas h HIS 107 Ca 0.44 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2pas h HIS 107 Cb 0.31 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2pas h HIS 107 CO -0.02 0.70 -0.17 -0.85 0.86 0.00 0.00 177.93 178.45 2pas n GLU 108 N -4.19 0.90 0.00 2.45 0.28 -0.39 -4.82 120.64 114.86 2pas n GLU 108 Ca 0.01 -0.46 0.15 0.00 -0.16 0.00 0.00 57.16 56.70 2pas n GLU 108 Cb 0.34 -1.49 0.69 0.00 1.43 0.00 0.00 31.44 32.40 2pas n GLU 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97