#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r78 n THR 6 N 0.00 0.29 -2.47 2.61 -2.24 -1.26 -4.88 114.28 106.34 2r78 n THR 6 Ca 0.00 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 2r78 n THR 6 Cb 0.00 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.17 2r78 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r78 n GLU 7 N -0.14 4.41 -3.77 -0.78 -0.58 -1.26 -4.63 120.64 113.88 2r78 n GLU 7 Ca 0.00 -3.96 -0.11 0.00 -0.42 0.00 0.00 57.16 52.67 2r78 n GLU 7 Cb 0.11 -2.67 -0.07 0.00 -0.57 0.00 0.00 31.44 28.24 2r78 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2r78 s ASN 8 N -0.32 -0.08 0.48 1.62 2.20 -1.26 -5.07 114.94 112.51 2r78 s ASN 8 Ca 0.41 -0.27 0.26 0.00 -0.94 0.00 0.00 52.86 52.31 2r78 s ASN 8 Cb 0.12 0.35 1.15 0.00 -2.00 0.00 0.00 41.25 40.87 2r78 s ASN 8 CO -0.02 -0.63 1.93 -0.07 -2.94 0.00 0.00 177.10 175.37 2r78 h LEU 9 N 3.17 0.00 -0.01 3.54 3.38 -1.99 -2.69 115.31 120.72 2r78 h LEU 9 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2r78 h LEU 9 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2r78 h LEU 9 CO 0.47 0.18 -0.29 1.88 0.09 0.00 0.00 178.44 180.77 2r78 h TYR 10 N 0.00 0.31 -0.32 1.13 -1.99 -1.97 0.16 116.97 114.29 2r78 h TYR 10 Ca -0.00 -0.16 0.06 0.00 2.00 0.00 0.00 58.73 60.63 2r78 h TYR 10 Cb 0.59 -0.04 -0.06 0.00 2.00 0.00 0.00 36.73 39.22 2r78 h TYR 10 CO 0.00 0.95 -0.03 0.35 -0.00 0.00 0.00 178.16 179.42 2r78 h PHE 11 N -0.42 -0.08 -0.53 4.88 3.04 -1.88 0.49 116.94 122.44 2r78 h PHE 11 Ca -0.03 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2r78 h PHE 11 Cb 1.02 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 2r78 h PHE 11 CO 0.17 -0.09 0.17 1.96 -2.02 0.00 0.00 178.31 178.50 2r78 h GLN 12 N 0.05 0.82 -0.33 1.11 4.20 -1.39 -0.32 115.11 119.25 2r78 h GLN 12 Ca 0.16 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2r78 h GLN 12 Cb 0.23 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2r78 h GLN 12 CO -0.29 0.75 0.21 1.03 -0.67 0.00 0.00 178.83 179.85 2r78 h SER 13 N 0.73 0.38 -0.39 1.46 0.87 -0.77 -0.34 113.55 115.50 2r78 h SER 13 Ca 0.17 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2r78 h SER 13 Cb 0.27 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.05 2r78 h SER 13 CO -0.01 0.30 -0.18 0.78 -0.53 0.00 0.00 176.83 177.20 2r78 h ASN 14 N 0.43 -0.60 -0.37 6.23 2.35 -0.33 -1.30 115.58 121.99 2r78 h ASN 14 Ca 0.12 0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 2r78 h ASN 14 Cb -0.02 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2r78 h ASN 14 CO -0.02 -0.21 -0.08 0.00 -1.65 0.00 0.00 177.43 175.46 2r78 h ALA 15 N 1.19 1.01 -0.10 -0.83 0.00 -0.71 -1.86 119.26 117.96 2r78 h ALA 15 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2r78 h ALA 15 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2r78 h ALA 15 CO -0.46 0.60 0.06 -0.92 0.00 0.00 0.00 179.25 178.53 2r78 h TYR 16 N 0.72 0.14 -0.54 0.00 3.20 -0.72 -0.23 116.97 119.55 2r78 h TYR 16 Ca 0.13 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.08 2r78 h TYR 16 Cb 0.56 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 2r78 h TYR 16 CO 0.03 0.16 0.14 0.00 -1.64 0.00 0.00 178.16 176.85 2r78 h ARG 17 N 0.08 0.28 -0.28 1.82 3.08 -0.83 0.15 114.38 118.68 2r78 h ARG 17 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2r78 h ARG 17 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2r78 h ARG 17 CO -0.01 0.19 -0.01 0.00 -1.07 0.00 0.00 179.97 179.07 2r78 h ALA 18 N 1.40 0.38 -0.36 0.04 0.00 -1.17 -1.98 119.26 117.57 2r78 h ALA 18 Ca 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2r78 h ALA 18 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2r78 h ALA 18 CO -0.32 0.13 0.22 -0.07 0.00 0.00 0.00 179.25 179.21 2r78 h LEU 19 N 0.28 0.42 -0.23 0.00 3.38 -0.59 -0.21 115.31 118.37 2r78 h LEU 19 Ca 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2r78 h LEU 19 Cb 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2r78 h LEU 19 CO 0.02 0.34 0.13 0.15 0.09 0.00 0.00 178.44 179.17 2r78 h PHE 20 N 0.47 0.30 -0.30 1.13 3.57 -0.67 0.19 116.94 121.64 2r78 h PHE 20 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2r78 h PHE 20 Cb -0.01 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2r78 h PHE 20 CO -0.04 0.24 -0.09 1.49 -2.23 0.00 0.00 178.31 177.68 2r78 h GLU 21 N 0.27 0.58 -0.01 1.11 4.57 -1.18 -3.34 114.58 116.58 2r78 h GLU 21 Ca 0.08 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2r78 h GLU 21 Cb 0.03 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2r78 h GLU 21 CO -0.01 0.79 -0.77 0.72 -1.18 0.00 0.00 179.01 178.56 2r78 n HIS 22 N -4.47 0.00 -1.73 0.92 8.25 -0.11 -4.64 115.22 113.45 2r78 n HIS 22 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2r78 n HIS 22 Cb 0.33 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 2r78 n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2r78 n ALA 23 N -0.86 1.75 0.10 -1.41 0.00 0.04 -4.91 120.51 115.22 2r78 n ALA 23 Ca 0.06 0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.65 2r78 n ALA 23 Cb 0.39 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.39 2r78 n ALA 23 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2r78 h ILE 24 N 2.49 1.48 -4.12 0.00 2.04 -1.93 -3.41 117.51 114.05 2r78 h ILE 24 Ca -0.49 -2.95 -0.52 0.00 1.00 0.00 0.00 64.86 61.90 2r78 h ILE 24 Cb 1.27 2.86 0.10 0.00 -0.74 0.00 0.00 36.82 40.32 2r78 h ILE 24 CO 0.62 0.87 0.44 -1.81 0.00 0.00 0.00 178.15 178.26 2r78 s ASP 25 N -7.15 5.20 0.30 1.72 1.01 -1.26 -4.85 116.67 111.64 2r78 s ASP 25 Ca -0.04 2.26 -0.29 0.00 0.71 0.00 0.00 52.55 55.19 2r78 s ASP 25 Cb 0.07 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2r78 s ASP 25 CO 0.88 -1.58 1.12 -0.83 0.21 0.00 0.00 175.17 174.98 2r78 s GLY 26 N -1.86 3.04 -0.03 0.21 0.00 0.11 -4.67 107.32 104.11 2r78 s GLY 26 Ca 0.74 0.93 0.02 0.00 0.00 0.00 0.00 44.72 46.40 2r78 s GLY 26 CO 0.34 1.52 -0.07 -0.42 0.00 0.00 0.00 173.10 174.47 2r78 s ILE 27 N -1.20 0.67 0.04 0.90 1.01 -1.26 -0.58 121.20 120.78 2r78 s ILE 27 Ca 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 2r78 s ILE 27 Cb -0.32 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2r78 s ILE 27 CO 0.41 0.23 -0.02 0.72 0.00 0.00 0.00 174.94 176.28 2r78 s PHE 28 N 0.44 0.43 0.46 3.97 -0.12 -0.16 -1.31 117.98 121.68 2r78 s PHE 28 Ca -0.06 -0.88 0.03 0.00 -0.05 0.00 0.00 56.93 55.96 2r78 s PHE 28 Cb -0.10 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 2r78 s PHE 28 CO 0.01 -0.33 0.02 0.42 -0.05 0.00 0.00 175.22 175.29 2r78 s ILE 29 N -3.15 1.34 0.49 -4.49 -1.09 -0.23 -0.04 121.20 114.03 2r78 s ILE 29 Ca -0.00 -2.00 0.05 0.00 -2.23 0.00 0.00 60.65 56.47 2r78 s ILE 29 Cb 0.02 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2r78 s ILE 29 CO -0.07 0.00 0.25 1.51 -1.23 0.00 0.00 174.94 175.40 2r78 s ASP 31 N -3.77 4.48 0.59 3.58 1.47 -0.54 -0.42 116.67 122.07 2r78 s ASP 31 Ca 0.18 -1.27 0.34 0.00 1.18 0.00 0.00 52.55 52.98 2r78 s ASP 31 Cb 0.05 0.15 1.88 0.00 -0.34 0.00 0.00 42.92 44.66 2r78 s ASP 31 CO 0.09 -0.88 2.23 0.00 0.68 0.00 0.00 175.17 177.30 2r78 h ALA 32 N 1.08 1.29 -0.01 2.11 0.00 -1.91 -1.34 119.26 120.49 2r78 h ALA 32 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2r78 h ALA 32 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2r78 h ALA 32 CO 0.64 0.04 -0.07 0.39 0.00 0.00 0.00 179.25 180.25 2r78 n GLU 33 N -3.55 1.35 -0.48 0.00 4.71 -1.26 -4.95 120.64 116.47 2r78 n GLU 33 Ca -0.03 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.38 2r78 n GLU 33 Cb 0.13 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 2r78 n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2r78 n GLY 34 N 1.21 0.74 3.69 0.62 0.00 -0.50 -4.90 105.19 106.06 2r78 n GLY 34 Ca 0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2r78 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r78 s HIS 35 N -2.00 3.52 0.15 1.61 3.76 -1.26 -0.14 115.29 120.93 2r78 s HIS 35 Ca 0.00 1.58 -0.31 0.00 -0.15 0.00 0.00 55.06 56.18 2r78 s HIS 35 Cb 0.00 -3.20 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 2r78 s HIS 35 CO 0.00 -0.29 1.52 0.71 -0.85 0.00 0.00 174.74 175.84 2r78 s TYR 36 N 1.75 3.08 -0.14 1.40 2.02 -0.98 -1.47 117.35 123.01 2r78 s TYR 36 Ca 0.50 0.70 0.09 0.00 -0.37 0.00 0.00 57.07 58.00 2r78 s TYR 36 Cb -0.20 -3.86 -0.15 0.00 -0.40 0.00 0.00 41.96 37.35 2r78 s TYR 36 CO 0.21 -3.15 -0.00 1.28 -1.57 0.00 0.00 175.55 172.31 2r78 n LEU 37 N 4.04 0.76 -3.62 -1.29 4.77 0.44 -4.59 117.00 117.51 2r78 n LEU 37 Ca 0.13 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 2r78 n LEU 37 Cb 0.40 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2r78 n LEU 37 CO 0.61 0.45 0.23 -0.62 -1.33 0.00 0.00 177.39 176.73 2r78 s ASP 38 N -4.91 -0.40 -0.09 -1.43 -1.08 -0.99 -4.97 116.67 102.80 2r78 s ASP 38 Ca -0.11 0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 52.08 2r78 s ASP 38 Cb 0.04 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 41.99 2r78 s ASP 38 CO 0.51 -0.63 0.24 0.68 0.52 0.00 0.00 175.17 176.49 2r78 s VAL 39 N -1.99 -0.01 0.67 1.11 -7.23 -1.26 -1.06 120.40 110.63 2r78 s VAL 39 Ca -0.08 0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 2r78 s VAL 39 Cb -0.01 -0.34 0.06 0.00 0.56 0.00 0.00 36.38 36.64 2r78 s VAL 39 CO 0.02 0.01 0.95 0.54 -0.31 0.00 0.00 175.10 176.31 2r78 s ASN 40 N 0.39 4.89 0.24 4.85 4.22 -0.43 -4.90 114.94 124.20 2r78 s ASN 40 Ca -0.02 0.28 -0.05 0.00 -2.14 0.00 0.00 52.86 50.93 2r78 s ASN 40 Cb -0.04 -0.97 0.35 0.00 1.28 0.00 0.00 41.25 41.87 2r78 s ASN 40 CO -0.02 -1.50 1.83 -0.65 -2.04 0.00 0.00 177.10 174.72 2r78 h PRO 41 N -0.43 0.85 -0.49 3.55 0.11 -1.82 -2.45 132.00 131.32 2r78 h PRO 41 Ca -0.43 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2r78 h PRO 41 Cb 1.31 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 2r78 h PRO 41 CO 0.57 0.56 0.16 0.00 -0.21 0.00 0.00 178.00 179.08 2r78 h ALA 42 N 1.42 0.59 -0.17 -0.75 0.00 -1.85 -0.74 119.26 117.76 2r78 h ALA 42 Ca 0.38 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 2r78 h ALA 42 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2r78 h ALA 42 CO -0.20 -0.24 -0.58 0.97 0.00 0.00 0.00 179.25 179.20 2r78 h ILE 43 N 0.33 1.33 -0.42 0.00 2.10 -1.76 -0.52 117.51 118.58 2r78 h ILE 43 Ca 0.24 -1.85 -0.02 0.00 1.08 0.00 0.00 64.86 64.32 2r78 h ILE 43 Cb 0.27 1.82 -0.02 0.00 -1.09 0.00 0.00 36.82 37.80 2r78 h ILE 43 CO -0.26 0.57 0.20 0.00 -1.08 0.00 0.00 178.15 177.58 2r78 h SER 45 N 0.54 0.55 -0.28 0.00 0.02 -1.00 -0.14 113.55 113.24 2r78 h SER 45 Ca 0.14 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2r78 h SER 45 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2r78 h SER 45 CO -0.02 0.69 0.10 0.00 -1.14 0.00 0.00 176.83 176.46 2r78 h ALA 46 N 0.88 0.36 0.00 3.77 0.00 -0.99 -3.28 119.26 120.00 2r78 h ALA 46 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2r78 h ALA 46 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2r78 h ALA 46 CO 0.01 -0.03 -1.04 -0.89 0.00 0.00 0.00 179.25 177.31 2r78 n ILE 47 N -4.74 0.66 -0.55 0.00 2.08 -0.61 -4.91 119.36 111.29 2r78 n ILE 47 Ca -0.02 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.73 2r78 n ILE 47 Cb 0.15 -0.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2r78 n ILE 47 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2r78 n GLY 48 N 1.20 0.72 3.88 7.39 0.00 -0.07 -0.85 105.19 117.45 2r78 n GLY 48 Ca -0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2r78 n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r78 s TYR 49 N -2.00 3.50 0.79 1.61 2.02 -1.18 -4.59 117.35 117.51 2r78 s TYR 49 Ca 0.00 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.91 2r78 s TYR 49 Cb 0.00 -1.81 0.07 0.00 -0.40 0.00 0.00 41.96 39.82 2r78 s TYR 49 CO 0.00 0.63 1.10 0.95 -1.57 0.00 0.00 175.55 176.65 2r78 s THR 50 N -1.30 3.11 0.22 -0.71 -4.23 -1.26 -4.49 115.64 106.97 2r78 s THR 50 Ca 0.26 0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 2r78 s THR 50 Cb -0.12 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.76 2r78 s THR 50 CO 0.18 -0.47 1.77 -0.09 -0.54 0.00 0.00 174.62 175.46 2r78 h ARG 51 N -1.07 0.51 -0.23 3.99 2.43 -1.95 0.80 114.38 118.86 2r78 h ARG 51 Ca -0.47 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 2r78 h ARG 51 Cb 1.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2r78 h ARG 51 CO 0.59 0.34 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.74 2r78 h ASP 52 N 0.52 0.41 -0.31 -3.80 3.32 -1.99 -0.92 116.42 113.65 2r78 h ASP 52 Ca 0.33 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 2r78 h ASP 52 Cb 0.37 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2r78 h ASP 52 CO -0.28 0.64 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.43 2r78 h GLU 53 N 0.38 0.63 -0.63 3.56 5.08 -1.79 -3.28 114.58 118.54 2r78 h GLU 53 Ca 0.06 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2r78 h GLU 53 Cb 0.59 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2r78 h GLU 53 CO 0.04 0.84 0.23 0.35 -1.00 0.00 0.00 179.01 179.48 2r78 h PHE 54 N 0.40 0.98 0.00 4.33 3.04 -0.32 -2.45 116.94 122.92 2r78 h PHE 54 Ca 0.07 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2r78 h PHE 54 Cb 0.64 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.86 2r78 h PHE 54 CO 0.06 0.78 0.00 1.28 -2.02 0.00 0.00 178.31 178.41 2r78 n LEU 55 N -4.41 0.00 -1.05 0.59 4.32 -0.40 -1.15 117.00 114.90 2r78 n LEU 55 Ca 0.04 0.36 0.12 0.00 -0.02 0.00 0.00 56.01 56.51 2r78 n LEU 55 Cb 0.18 -0.36 0.24 0.00 -1.62 0.00 0.00 43.42 41.86 2r78 n LEU 55 CO 0.40 -0.22 0.71 0.00 -1.22 0.00 0.00 177.39 177.06 2r78 n ALA 56 N -1.36 2.44 -2.74 -1.18 0.00 -0.92 -4.72 120.51 112.03 2r78 n ALA 56 Ca 0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 2r78 n ALA 56 Cb 0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2r78 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r78 s LEU 57 N -1.52 3.55 0.21 0.00 1.43 -0.30 -5.06 118.68 116.98 2r78 s LEU 57 Ca 0.37 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 2r78 s LEU 57 Cb 0.22 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2r78 s LEU 57 CO 0.31 0.02 -0.03 -1.81 0.23 0.00 0.00 176.35 175.08 2r78 s ASP 58 N -3.43 4.56 0.04 2.29 1.11 -1.26 -2.32 116.67 117.66 2r78 s ASP 58 Ca 0.31 -0.52 -0.37 0.00 0.18 0.00 0.00 52.55 52.14 2r78 s ASP 58 Cb -0.08 -0.88 -0.17 0.00 1.07 0.00 0.00 42.92 42.86 2r78 s ASP 58 CO 0.22 0.06 1.39 1.87 1.18 0.00 0.00 175.17 179.89 2r78 n TRP 59 N -0.33 1.58 0.00 4.23 -0.00 0.80 -1.89 117.44 121.84 2r78 n TRP 59 Ca -0.09 0.62 0.00 0.00 -0.00 0.00 0.00 57.50 58.03 2r78 n TRP 59 Cb 0.56 -2.35 0.00 0.00 -0.00 0.00 0.00 31.31 29.53 2r78 n TRP 59 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2r78 n GLY 60 N 2.72 2.42 0.11 5.87 0.00 -1.26 -4.85 105.19 110.21 2r78 n GLY 60 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2r78 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2r78 h VAL 61 N 0.00 1.27 -0.83 1.61 2.07 -1.76 0.14 116.25 118.75 2r78 h VAL 61 Ca 0.00 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2r78 h VAL 61 Cb 0.00 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2r78 h VAL 61 CO 0.00 0.26 0.54 -0.07 0.02 0.00 0.00 177.57 178.32 2r78 h LEU 62 N -0.05 0.88 -2.68 2.57 4.07 -1.90 -2.05 115.31 116.15 2r78 h LEU 62 Ca 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2r78 h LEU 62 Cb 0.40 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2r78 h LEU 62 CO 0.01 0.60 0.00 -1.54 -1.08 0.00 0.00 178.44 176.43 2r78 n SER 63 N -4.45 3.36 -3.74 -0.43 3.41 -1.20 -0.79 113.62 109.78 2r78 n SER 63 Ca 0.11 -1.97 -0.22 0.00 -0.26 0.00 0.00 58.87 56.53 2r78 n SER 63 Cb 0.11 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 63.77 2r78 n SER 63 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2r78 n ARG 64 N 1.11 -4.85 -0.14 4.33 1.74 -0.21 -4.89 116.66 113.75 2r78 n ARG 64 Ca 0.18 0.60 0.09 0.00 -0.77 0.00 0.00 57.85 57.95 2r78 n ARG 64 Cb 0.52 -5.16 0.15 0.00 -1.02 0.00 0.00 32.46 26.96 2r78 n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r78 n GLY 65 N -1.62 4.86 0.07 -0.13 0.00 0.30 -4.72 105.19 103.96 2r78 n GLY 65 Ca -0.27 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 2r78 n GLY 65 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2r78 h VAL 66 N 0.20 0.00 -0.96 1.61 2.07 -1.89 0.65 116.25 117.93 2r78 h VAL 66 Ca 0.00 -0.56 0.19 0.00 0.82 0.00 0.00 66.70 67.15 2r78 h VAL 66 Cb 1.03 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2r78 h VAL 66 CO 0.02 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.66 2r78 h ASP 67 N -0.68 0.65 0.59 0.57 3.32 -1.94 -0.52 116.42 118.42 2r78 h ASP 67 Ca -0.01 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2r78 h ASP 67 Cb 0.09 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2r78 h ASP 67 CO 0.02 0.26 0.00 0.77 -1.72 0.00 0.00 179.24 178.57 2r78 h SER 68 N 0.65 0.00 0.00 6.45 4.64 -1.86 -3.46 113.55 119.97 2r78 h SER 68 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2r78 h SER 68 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2r78 h SER 68 CO -0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.29 2r78 n GLY 69 N -0.28 0.97 0.22 -0.77 0.00 -0.20 -4.94 105.19 100.20 2r78 n GLY 69 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2r78 n GLY 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2r78 h TRP 70 N 0.00 0.50 -0.05 1.61 7.01 -1.66 -0.62 115.95 122.73 2r78 h TRP 70 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2r78 h TRP 70 Cb 0.00 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2r78 h TRP 70 CO 0.00 0.22 0.03 0.00 -2.79 0.00 0.00 178.44 175.90 2r78 h ALA 71 N 1.33 0.07 -0.50 2.65 0.00 -1.15 -0.12 119.26 121.54 2r78 h ALA 71 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2r78 h ALA 71 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2r78 h ALA 71 CO -0.20 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.77 2r78 h ALA 72 N 0.99 0.65 -0.20 0.00 0.00 -1.77 -0.32 119.26 118.62 2r78 h ALA 72 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2r78 h ALA 72 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2r78 h ALA 72 CO -0.00 0.32 0.03 0.00 0.00 0.00 0.00 179.25 179.59 2r78 h ALA 73 N 1.01 0.26 -0.42 0.00 0.00 -0.93 -1.73 119.26 117.46 2r78 h ALA 73 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2r78 h ALA 73 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2r78 h ALA 73 CO -0.00 -0.06 -0.01 0.66 0.00 0.00 0.00 179.25 179.84 2r78 h SER 74 N 0.11 0.73 -0.59 0.00 4.64 -0.98 -2.21 113.55 115.25 2r78 h SER 74 Ca 0.06 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2r78 h SER 74 Cb 0.33 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 2r78 h SER 74 CO 0.01 0.86 0.36 0.25 -0.87 0.00 0.00 176.83 177.44 2r78 h LEU 75 N 0.57 0.57 -0.91 5.97 5.85 -1.02 -0.76 115.31 125.58 2r78 h LEU 75 Ca 0.12 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2r78 h LEU 75 Cb 0.50 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2r78 h LEU 75 CO 0.02 0.40 0.47 0.00 -0.34 0.00 0.00 178.44 178.99 2r78 h ALA 76 N 1.27 1.16 -0.53 1.25 0.00 -1.05 -0.04 119.26 121.32 2r78 h ALA 76 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2r78 h ALA 76 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2r78 h ALA 76 CO -0.11 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.89 2r78 h ARG 77 N 1.24 0.87 -0.11 0.00 2.47 -0.78 -1.72 114.38 116.36 2r78 h ARG 77 Ca 0.31 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2r78 h ARG 77 Cb 0.05 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2r78 h ARG 77 CO -0.05 0.85 0.06 0.82 0.56 0.00 0.00 179.97 182.21 2r78 h ILE 78 N 0.76 1.10 0.00 2.04 2.04 -0.47 -1.78 117.51 121.20 2r78 h ILE 78 Ca 0.16 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2r78 h ILE 78 Cb 0.40 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2r78 h ILE 78 CO 0.01 0.09 -0.08 -0.37 0.00 0.00 0.00 178.15 177.80 2r78 h VAL 79 N 0.07 0.23 0.00 1.67 -1.51 -1.01 -0.32 116.25 115.39 2r78 h VAL 79 Ca 0.04 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2r78 h VAL 79 Cb 0.09 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2r78 h VAL 79 CO -0.01 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 2r78 n GLY 80 N -0.05 -1.24 0.00 5.19 0.00 -0.65 -4.92 105.19 103.53 2r78 n GLY 80 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2r78 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r78 n GLY 81 N 0.62 1.07 3.68 -0.02 0.00 -0.13 -5.07 105.19 105.34 2r78 n GLY 81 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2r78 n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r78 s GLU 82 N -0.85 4.23 0.44 1.61 2.12 -0.69 -4.99 118.70 120.56 2r78 s GLU 82 Ca 0.00 0.42 -0.24 0.00 0.36 0.00 0.00 54.97 55.51 2r78 s GLU 82 Cb 0.00 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 2r78 s GLU 82 CO 0.00 -0.07 1.25 -1.25 -0.54 0.00 0.00 175.26 174.65 2r78 s PRO 83 N 1.36 3.81 -0.08 4.30 0.04 -1.26 -3.89 135.00 139.28 2r78 s PRO 83 Ca 0.25 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 2r78 s PRO 83 Cb -0.15 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 2r78 s PRO 83 CO 0.10 -0.57 0.36 -1.17 0.04 0.00 0.00 177.00 175.76 2r78 s LEU 84 N -2.75 4.36 -0.23 -3.56 2.96 -0.65 -4.95 118.68 113.86 2r78 s LEU 84 Ca 0.61 0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 55.24 2r78 s LEU 84 Cb -0.34 -2.49 0.10 0.00 0.50 0.00 0.00 46.19 43.96 2r78 s LEU 84 CO 0.43 0.20 0.23 -0.60 -1.32 0.00 0.00 176.35 175.29 2r78 s ARG 85 N -0.28 0.22 -0.19 1.98 3.52 -1.25 -1.81 118.95 121.14 2r78 s ARG 85 Ca 0.21 0.02 -0.15 0.00 -0.13 0.00 0.00 55.73 55.68 2r78 s ARG 85 Cb -0.15 -1.08 0.05 0.00 -1.56 0.00 0.00 34.95 32.21 2r78 s ARG 85 CO 0.09 -0.80 0.48 -2.00 -0.81 0.00 0.00 175.30 172.27 2r78 s GLU 86 N 2.30 0.53 0.06 5.12 2.12 -0.35 -4.99 118.70 123.49 2r78 s GLU 86 Ca 0.08 0.74 -0.27 0.00 0.36 0.00 0.00 54.97 55.88 2r78 s GLU 86 Cb -0.15 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 2r78 s GLU 86 CO -0.20 -0.10 0.83 -1.21 -0.54 0.00 0.00 175.26 174.05 2r78 s GLU 87 N 0.63 4.56 0.02 4.30 2.02 -1.26 -0.61 118.70 128.36 2r78 s GLU 87 Ca -0.03 1.19 0.02 0.00 0.02 0.00 0.00 54.97 56.18 2r78 s GLU 87 Cb -0.05 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 2r78 s GLU 87 CO -0.04 0.23 -0.07 1.03 0.02 0.00 0.00 175.26 176.43 2r78 s ARG 88 N 0.06 0.53 0.04 1.61 1.81 -0.13 -4.97 118.95 117.90 2r78 s ARG 88 Ca 0.42 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 2r78 s ARG 88 Cb -0.21 -0.43 -0.05 0.00 -0.45 0.00 0.00 34.95 33.81 2r78 s ARG 88 CO 0.25 0.10 1.15 0.99 -0.68 0.00 0.00 175.30 177.11 2r78 s THR 89 N -0.72 4.23 0.19 0.02 2.01 -1.26 -1.10 115.64 119.00 2r78 s THR 89 Ca -0.03 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.67 2r78 s THR 89 Cb -0.06 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2r78 s THR 89 CO 0.00 0.12 -0.21 0.68 -0.69 0.00 0.00 174.62 174.52 2r78 s VAL 90 N 1.10 2.09 -0.11 3.82 -7.23 -0.06 -4.28 120.40 115.73 2r78 s VAL 90 Ca 0.57 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2r78 s VAL 90 Cb -0.27 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2r78 s VAL 90 CO 0.29 -0.24 -0.13 0.26 -0.31 0.00 0.00 175.10 174.97 2r78 s TRP 91 N -1.92 2.80 0.96 2.82 0.51 0.03 -0.45 118.94 123.69 2r78 s TRP 91 Ca 0.19 -0.46 -0.13 0.00 -2.12 0.00 0.00 56.10 53.58 2r78 s TRP 91 Cb -0.07 -1.79 0.17 0.00 -0.81 0.00 0.00 33.47 30.97 2r78 s TRP 91 CO 0.09 -0.07 1.13 0.95 -0.51 0.00 0.00 176.95 178.54 2r78 s THR 92 N 0.00 1.97 0.26 2.01 -4.23 0.41 -4.87 115.64 111.19 2r78 s THR 92 Ca -0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2r78 s THR 92 Cb -0.14 -2.68 0.23 0.00 1.34 0.00 0.00 72.50 71.25 2r78 s THR 92 CO 0.04 0.00 1.79 -0.09 -0.54 0.00 0.00 174.62 175.82 2r78 h ARG 93 N -1.70 0.71 0.00 3.99 2.43 -1.24 -0.35 114.38 118.23 2r78 h ARG 93 Ca -0.51 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2r78 h ARG 93 Cb 1.32 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2r78 h ARG 93 CO 0.58 0.47 0.00 0.09 -1.51 0.00 0.00 179.97 179.60 2r78 n ASN 94 N -4.79 0.00 0.00 -3.80 3.02 -1.26 -4.90 115.26 103.53 2r78 n ASN 94 Ca 0.16 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2r78 n ASN 94 Cb 0.36 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2r78 n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r78 n GLY 95 N 1.03 0.79 3.80 7.41 0.00 -0.14 -5.07 105.19 113.02 2r78 n GLY 95 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2r78 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r78 s ASP 96 N -2.19 6.16 -0.13 1.61 1.01 -1.26 -4.74 116.67 117.13 2r78 s ASP 96 Ca 0.00 1.89 -0.06 0.00 0.71 0.00 0.00 52.55 55.08 2r78 s ASP 96 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2r78 s ASP 96 CO 0.00 -0.91 0.09 -1.10 0.21 0.00 0.00 175.17 173.46 2r78 s GLN 97 N -3.53 3.53 0.14 8.23 -0.21 -1.26 -0.44 119.66 126.11 2r78 s GLN 97 Ca 0.66 -0.25 0.07 0.00 0.02 0.00 0.00 55.36 55.86 2r78 s GLN 97 Cb -0.16 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 2r78 s GLN 97 CO 0.26 0.60 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.36 2r78 s LEU 98 N -0.54 2.41 -0.21 2.90 1.43 0.40 -4.98 118.68 120.09 2r78 s LEU 98 Ca 0.11 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2r78 s LEU 98 Cb -0.12 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2r78 s LEU 98 CO 0.02 -0.09 -0.00 -0.89 0.23 0.00 0.00 176.35 175.62 2r78 s THR 99 N -2.05 3.85 0.03 5.49 2.01 -1.26 -0.88 115.64 122.83 2r78 s THR 99 Ca 0.12 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.84 2r78 s THR 99 Cb -0.05 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 2r78 s THR 99 CO 0.05 0.41 -0.19 0.68 -0.69 0.00 0.00 174.62 174.88 2r78 s VAL 100 N 1.20 1.53 -0.36 3.82 -7.23 -0.26 -4.69 120.40 114.41 2r78 s VAL 100 Ca 0.03 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 2r78 s VAL 100 Cb -0.15 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2r78 s VAL 100 CO 0.01 0.20 0.67 -0.70 -0.31 0.00 0.00 175.10 174.97 2r78 s GLU 101 N -1.05 3.70 -0.17 4.82 2.12 0.11 -0.95 118.70 127.26 2r78 s GLU 101 Ca 0.06 0.12 -0.12 0.00 0.36 0.00 0.00 54.97 55.40 2r78 s GLU 101 Cb -0.08 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 2r78 s GLU 101 CO 0.01 -0.77 0.21 -0.51 -0.54 0.00 0.00 175.26 173.67 2r78 s LEU 102 N 2.81 4.24 0.06 2.70 1.43 0.23 -1.12 118.68 129.02 2r78 s LEU 102 Ca 0.26 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.83 2r78 s LEU 102 Cb -0.14 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2r78 s LEU 102 CO 0.15 0.16 -0.24 -0.44 0.23 0.00 0.00 176.35 176.21 2r78 s SER 103 N 0.31 2.91 -0.11 2.29 0.01 -0.02 -1.21 113.70 117.88 2r78 s SER 103 Ca 0.13 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 2r78 s SER 103 Cb -0.12 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.89 2r78 s SER 103 CO 0.01 0.21 0.29 0.00 0.41 0.00 0.00 173.24 174.16 2r78 s ALA 104 N -0.84 -0.72 -0.01 1.44 0.00 -0.75 -0.78 121.76 120.09 2r78 s ALA 104 Ca 0.10 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 2r78 s ALA 104 Cb -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2r78 s ALA 104 CO 0.02 -0.14 0.04 -1.01 0.00 0.00 0.00 175.76 174.67 2r78 s HIS 105 N 0.19 0.00 0.29 0.00 3.76 0.39 -1.63 115.29 118.28 2r78 s HIS 105 Ca -0.00 0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 2r78 s HIS 105 Cb -0.02 -0.02 -0.10 0.00 1.11 0.00 0.00 32.58 33.55 2r78 s HIS 105 CO 0.00 -0.06 1.12 -1.17 -0.85 0.00 0.00 174.74 173.78 2r78 s LEU 106 N -0.27 4.54 0.35 0.89 2.96 -1.26 -0.48 118.68 125.41 2r78 s LEU 106 Ca -0.03 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2r78 s LEU 106 Cb -0.02 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2r78 s LEU 106 CO -0.00 -0.19 0.55 -0.76 -1.32 0.00 0.00 176.35 174.64 2r78 s LEU 107 N -1.49 4.01 0.55 -0.68 1.43 0.66 -4.85 118.68 118.31 2r78 s LEU 107 Ca 0.45 0.47 0.21 0.00 -1.03 0.00 0.00 54.13 54.23 2r78 s LEU 107 Cb -0.33 -3.33 1.47 0.00 0.03 0.00 0.00 46.19 44.03 2r78 s LEU 107 CO 0.42 -0.30 2.18 -0.65 0.23 0.00 0.00 176.35 178.23 2r78 h PRO 108 N 0.77 0.00 -0.35 1.29 0.11 -1.97 -0.74 132.00 131.11 2r78 h PRO 108 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2r78 h PRO 108 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2r78 h PRO 108 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2r78 n ASP 109 N -4.28 2.18 0.00 -2.05 5.75 -1.26 -4.94 116.55 111.96 2r78 n ASP 109 Ca -0.02 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2r78 n ASP 109 Cb 0.12 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2r78 n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r78 n GLY 110 N 1.18 0.90 3.57 6.12 0.00 -0.28 -5.01 105.19 111.67 2r78 n GLY 110 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2r78 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r78 s LYS 111 N -0.73 -0.52 -0.05 1.61 1.02 -1.26 -3.70 119.74 116.12 2r78 s LYS 111 Ca 0.00 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.55 2r78 s LYS 111 Cb 0.00 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2r78 s LYS 111 CO 0.00 -3.38 -0.13 0.42 -0.92 0.00 0.00 175.35 171.34 2r78 s ILE 112 N -2.74 1.16 -0.23 2.17 1.01 -1.26 -0.24 121.20 121.06 2r78 s ILE 112 Ca 0.67 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 2r78 s ILE 112 Cb -0.20 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 2r78 s ILE 112 CO 0.60 0.35 0.17 -0.22 0.00 0.00 0.00 174.94 175.85 2r78 s LEU 113 N 0.31 4.13 0.16 2.97 2.96 0.37 -4.26 118.68 125.32 2r78 s LEU 113 Ca -0.08 0.16 0.11 0.00 -0.22 0.00 0.00 54.13 54.11 2r78 s LEU 113 Cb -0.12 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2r78 s LEU 113 CO 0.02 0.07 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.04 2r78 s GLY 114 N 0.95 1.64 -0.02 7.98 0.00 0.94 -0.47 107.32 118.34 2r78 s GLY 114 Ca 0.08 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.29 2r78 s GLY 114 CO 0.04 -1.55 -0.12 -0.42 0.00 0.00 0.00 173.10 171.05 2r78 s ILE 115 N -1.35 1.01 -0.18 0.90 1.01 0.04 -0.99 121.20 121.65 2r78 s ILE 115 Ca 0.17 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2r78 s ILE 115 Cb -0.09 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.54 2r78 s ILE 115 CO 0.08 0.30 -0.17 0.00 0.00 0.00 0.00 174.94 175.15 2r78 s ALA 116 N -0.00 2.15 0.08 9.38 0.00 0.25 -0.84 121.76 132.79 2r78 s ALA 116 Ca -0.01 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 50.90 2r78 s ALA 116 Cb -0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2r78 s ALA 116 CO 0.01 -0.45 -0.23 1.03 0.00 0.00 0.00 175.76 176.12 2r78 s ARG 117 N 1.36 1.36 0.00 0.00 0.52 -0.28 -0.71 118.95 121.20 2r78 s ARG 117 Ca 0.04 -1.13 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2r78 s ARG 117 Cb -0.14 -1.62 0.32 0.00 0.52 0.00 0.00 34.95 34.03 2r78 s ARG 117 CO -0.11 0.40 0.79 -0.25 0.02 0.00 0.00 175.30 176.14