#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm0 h SER 12 N 0.00 0.00 0.91 1.61 4.64 -1.89 0.26 113.55 119.09 2cm0 h SER 12 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2cm0 h SER 12 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2cm0 h SER 12 CO 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.82 2cm0 h ALA 13 N 1.08 1.03 -3.29 5.18 0.00 -1.98 -3.42 119.26 117.86 2cm0 h ALA 13 Ca 0.00 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 2cm0 h ALA 13 Cb 0.70 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.24 2cm0 h ALA 13 CO 0.00 0.17 -0.67 0.45 0.00 0.00 0.00 179.25 179.20 2cm0 s SER 14 N -6.02 4.74 0.17 0.00 0.15 0.92 -5.03 113.70 108.64 2cm0 s SER 14 Ca 0.00 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.37 2cm0 s SER 14 Cb 0.10 -1.77 0.09 0.00 -1.71 0.00 0.00 66.02 62.73 2cm0 s SER 14 CO 0.60 0.17 1.79 -0.65 1.20 0.00 0.00 173.24 176.34 2cm0 h PRO 15 N 6.73 0.46 -0.58 5.44 0.11 -1.83 0.21 132.00 142.55 2cm0 h PRO 15 Ca -0.31 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 2cm0 h PRO 15 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2cm0 h PRO 15 CO 0.62 0.31 0.03 0.00 -0.21 0.00 0.00 178.00 178.75 2cm0 h ALA 16 N 1.23 0.77 -0.37 -0.75 0.00 -1.92 -1.88 119.26 116.35 2cm0 h ALA 16 Ca 0.20 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2cm0 h ALA 16 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2cm0 h ALA 16 CO -0.13 0.58 -0.17 0.28 0.00 0.00 0.00 179.25 179.81 2cm0 h VAL 17 N 0.89 1.26 -0.69 0.00 2.07 -1.75 -1.08 116.25 116.95 2cm0 h VAL 17 Ca 0.17 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2cm0 h VAL 17 Cb 0.50 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2cm0 h VAL 17 CO 0.02 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.31 2cm0 h ALA 18 N 1.20 1.22 -0.27 1.67 0.00 -0.67 0.01 119.26 122.42 2cm0 h ALA 18 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2cm0 h ALA 18 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2cm0 h ALA 18 CO 0.04 0.58 -0.11 0.93 0.00 0.00 0.00 179.25 180.70 2cm0 h GLU 19 N 0.99 0.54 -0.73 0.00 4.39 -0.91 -2.92 114.58 115.94 2cm0 h GLU 19 Ca 0.23 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2cm0 h GLU 19 Cb 0.16 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2cm0 h GLU 19 CO -0.02 0.78 0.48 1.25 -1.16 0.00 0.00 179.01 180.34 2cm0 h LEU 20 N 0.28 0.72 -0.55 1.33 5.85 -0.72 -1.02 115.31 121.21 2cm0 h LEU 20 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2cm0 h LEU 20 Cb 0.61 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2cm0 h LEU 20 CO 0.03 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 2cm0 n GLN 22 N -1.89 0.55 -2.08 0.00 1.13 -0.38 -4.86 117.38 109.84 2cm0 n GLN 22 Ca 0.01 0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.80 2cm0 n GLN 22 Cb 0.11 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.01 2cm0 n GLN 22 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2cm0 s ASN 23 N -2.39 5.36 0.74 1.08 0.01 -1.03 -5.06 114.94 113.65 2cm0 s ASN 23 Ca 0.32 0.91 -0.11 0.00 -0.71 0.00 0.00 52.86 53.26 2cm0 s ASN 23 Cb 0.19 -1.73 0.04 0.00 0.41 0.00 0.00 41.25 40.16 2cm0 s ASN 23 CO 0.40 -1.32 1.09 0.42 -1.51 0.00 0.00 177.10 176.18 2cm0 s THR 24 N -3.24 3.37 0.17 1.60 -4.23 -1.26 -4.74 115.64 107.30 2cm0 s THR 24 Ca 0.57 0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 61.33 2cm0 s THR 24 Cb -0.11 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.81 2cm0 s THR 24 CO 0.49 -0.54 1.59 -0.65 -0.54 0.00 0.00 174.62 174.96 2cm0 h PRO 25 N -0.86 -0.22 -0.80 3.99 0.11 -1.97 -0.30 132.00 131.95 2cm0 h PRO 25 Ca -0.44 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2cm0 h PRO 25 Cb 1.23 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2cm0 h PRO 25 CO 0.52 -0.15 0.43 0.93 -0.21 0.00 0.00 178.00 179.53 2cm0 h GLU 26 N -0.23 1.12 -0.39 1.05 3.07 -1.99 -0.43 114.58 116.78 2cm0 h GLU 26 Ca 0.19 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 58.78 2cm0 h GLU 26 Cb 0.55 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2cm0 h GLU 26 CO -0.59 0.83 -0.27 1.15 -1.40 0.00 0.00 179.01 178.73 2cm0 h THR 27 N 1.11 1.28 -0.21 1.13 2.02 -1.87 -1.98 112.91 114.39 2cm0 h THR 27 Ca 0.28 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 2cm0 h THR 27 Cb 0.04 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2cm0 h THR 27 CO -0.04 0.48 0.11 0.15 0.37 0.00 0.00 175.52 176.58 2cm0 h PHE 28 N 0.67 0.29 -0.88 3.16 3.57 -0.74 -1.49 116.94 121.53 2cm0 h PHE 28 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2cm0 h PHE 28 Cb 0.84 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2cm0 h PHE 28 CO 0.06 0.29 0.48 -0.07 -2.23 0.00 0.00 178.31 176.84 2cm0 h LEU 29 N 0.21 1.09 -0.20 0.59 3.38 -1.05 0.11 115.31 119.44 2cm0 h LEU 29 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2cm0 h LEU 29 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2cm0 h LEU 29 CO -0.01 0.87 -0.03 -0.08 0.09 0.00 0.00 178.44 179.29 2cm0 h GLU 30 N 1.22 0.38 -0.15 1.13 4.81 -1.22 -1.46 114.58 119.28 2cm0 h GLU 30 Ca 0.31 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2cm0 h GLU 30 Cb 0.02 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2cm0 h GLU 30 CO -0.05 0.60 -0.03 0.00 -0.73 0.00 0.00 179.01 178.80 2cm0 h ALA 31 N 0.76 0.21 -0.70 2.92 0.00 -1.13 -2.85 119.26 118.46 2cm0 h ALA 31 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2cm0 h ALA 31 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2cm0 h ALA 31 CO 0.02 -0.04 0.31 0.66 0.00 0.00 0.00 179.25 180.20 2cm0 h SER 32 N 0.00 0.92 -0.58 0.00 4.64 -0.81 -0.63 113.55 117.09 2cm0 h SER 32 Ca 0.04 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2cm0 h SER 32 Cb 0.45 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 2cm0 h SER 32 CO 0.01 0.80 0.35 0.50 -0.87 0.00 0.00 176.83 177.62 2cm0 h LYS 33 N 1.00 0.79 -0.52 4.77 3.64 -1.25 0.05 116.57 125.06 2cm0 h LYS 33 Ca 0.24 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2cm0 h LYS 33 Cb 0.14 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2cm0 h LYS 33 CO -0.03 0.57 -0.08 1.25 -2.27 0.00 0.00 179.45 178.89 2cm0 h LEU 34 N 0.78 0.97 -0.64 5.20 5.85 -1.22 -1.72 115.31 124.52 2cm0 h LEU 34 Ca 0.21 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2cm0 h LEU 34 Cb -0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2cm0 h LEU 34 CO -0.04 1.08 0.41 -0.07 -0.34 0.00 0.00 178.44 179.48 2cm0 h LEU 35 N 0.83 0.76 -1.10 2.25 3.38 -0.69 -1.77 115.31 118.97 2cm0 h LEU 35 Ca 0.14 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2cm0 h LEU 35 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2cm0 h LEU 35 CO 0.04 0.57 -0.25 -0.07 0.09 0.00 0.00 178.44 178.82 2cm0 h LEU 36 N 0.87 0.33 -0.47 1.67 3.38 -0.86 -2.29 115.31 117.94 2cm0 h LEU 36 Ca 0.23 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2cm0 h LEU 36 Cb -0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2cm0 h LEU 36 CO -0.05 0.58 0.19 0.74 0.09 0.00 0.00 178.44 180.00 2cm0 h THR 37 N 0.30 1.21 -0.32 0.22 2.02 -0.64 0.05 112.91 115.74 2cm0 h THR 37 Ca 0.05 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2cm0 h THR 37 Cb 0.61 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2cm0 h THR 37 CO 0.04 0.24 0.07 1.88 0.37 0.00 0.00 175.52 178.12 2cm0 h TYR 38 N 0.62 0.54 -0.35 3.16 0.05 -1.13 -2.51 116.97 117.36 2cm0 h TYR 38 Ca 0.16 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2cm0 h TYR 38 Cb 0.18 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 2cm0 h TYR 38 CO 0.00 0.57 0.15 0.00 -1.05 0.00 0.00 178.16 177.84 2cm0 h ALA 39 N 0.90 0.45 -0.09 3.88 0.00 -1.28 -3.03 119.26 120.09 2cm0 h ALA 39 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2cm0 h ALA 39 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2cm0 h ALA 39 CO 0.00 0.03 -0.14 -0.44 0.00 0.00 0.00 179.25 178.70 2cm0 h ASP 40 N 0.42 0.14 -0.72 0.00 3.32 -0.95 -1.72 116.42 116.90 2cm0 h ASP 40 Ca 0.12 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2cm0 h ASP 40 Cb 0.15 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2cm0 h ASP 40 CO -0.01 0.30 0.27 0.00 -1.72 0.00 0.00 179.24 178.07 2cm0 h ALA 41 N 1.72 0.94 -0.12 3.45 0.00 -1.32 -0.19 119.26 123.74 2cm0 h ALA 41 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2cm0 h ALA 41 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cm0 h ALA 41 CO 0.02 0.59 -0.32 0.82 0.00 0.00 0.00 179.25 180.36 2cm0 h ILE 42 N 1.05 1.38 0.00 0.00 2.04 -1.46 -2.77 117.51 117.76 2cm0 h ILE 42 Ca 0.24 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 2cm0 h ILE 42 Cb 0.25 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2cm0 h ILE 42 CO -0.02 0.48 -0.15 -0.07 0.00 0.00 0.00 178.15 178.40 2cm0 h LEU 43 N 0.00 0.00 -0.07 1.44 3.38 -1.20 0.11 115.31 118.98 2cm0 h LEU 43 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2cm0 h LEU 43 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2cm0 h LEU 43 CO 0.07 0.15 -0.91 -0.09 0.09 0.00 0.00 178.44 177.75 2cm0 h ARG 44 N 0.00 0.00 -1.48 1.13 2.43 -1.01 -3.41 114.38 112.04 2cm0 h ARG 44 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 2cm0 h ARG 44 Cb 0.35 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 29.66 2cm0 h ARG 44 CO 0.02 0.91 -0.64 1.21 -1.51 0.00 0.00 179.97 179.96 2cm0 s ASN 45 N -6.69 -0.37 0.00 -3.80 3.84 -0.87 -5.01 114.94 102.03 2cm0 s ASN 45 Ca 0.01 -2.00 0.08 0.00 0.21 0.00 0.00 52.86 51.17 2cm0 s ASN 45 Cb 0.10 1.11 0.42 0.00 -0.55 0.00 0.00 41.25 42.34 2cm0 s ASN 45 CO 0.81 -0.12 1.14 -0.81 -2.79 0.00 0.00 177.10 175.33 2cm0 n PRO 46 N 3.20 0.12 -0.07 0.43 -0.04 0.35 -2.29 135.00 136.69 2cm0 n PRO 46 Ca 0.20 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2cm0 n PRO 46 Cb 0.53 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2cm0 n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cm0 n ASN 47 N -1.29 3.06 -4.56 3.54 5.03 -1.26 -4.89 115.26 114.89 2cm0 n ASN 47 Ca 0.04 -1.94 -0.41 0.00 0.87 0.00 0.00 54.58 53.14 2cm0 n ASN 47 Cb 0.07 -0.09 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 2cm0 n ASN 47 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2cm0 s ASP 48 N -1.68 6.31 0.37 6.41 -1.08 -0.97 -4.96 116.67 121.07 2cm0 s ASP 48 Ca 0.30 0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.50 2cm0 s ASP 48 Cb 0.20 -2.26 0.71 0.00 -1.46 0.00 0.00 42.92 40.11 2cm0 s ASP 48 CO 0.29 -0.43 1.77 1.05 0.52 0.00 0.00 175.17 178.36 2cm0 h GLU 49 N 8.41 0.00 -0.88 4.34 4.11 -1.90 -3.08 114.58 125.59 2cm0 h GLU 49 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 2cm0 h GLU 49 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2cm0 h GLU 49 CO 0.75 0.40 0.50 0.00 0.07 0.00 0.00 179.01 180.73 2cm0 h ALA 50 N 1.60 1.12 0.00 1.06 0.00 -1.93 -1.45 119.26 119.66 2cm0 h ALA 50 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2cm0 h ALA 50 Cb 0.82 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2cm0 h ALA 50 CO 0.05 0.62 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 2cm0 h ALA 51 N 1.27 1.00 -0.21 0.00 0.00 -1.91 -2.72 119.26 116.69 2cm0 h ALA 51 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2cm0 h ALA 51 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cm0 h ALA 51 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.74 2cm0 n ARG 52 N -3.09 1.74 -4.33 0.00 1.74 -0.55 -4.69 116.66 107.47 2cm0 n ARG 52 Ca -0.01 -1.12 -0.19 0.00 -0.77 0.00 0.00 57.85 55.76 2cm0 n ARG 52 Cb 0.20 -1.36 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2cm0 n ARG 52 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2cm0 s SER 53 N -1.42 1.06 -0.17 0.55 1.04 -1.03 -0.80 113.70 112.93 2cm0 s SER 53 Ca 0.30 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2cm0 s SER 53 Cb 0.16 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.07 2cm0 s SER 53 CO 0.23 0.07 -0.12 -0.63 0.98 0.00 0.00 173.24 173.77 2cm0 s ILE 54 N 0.10 1.59 -0.06 -1.02 1.01 -0.38 -4.96 121.20 117.48 2cm0 s ILE 54 Ca -0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 2cm0 s ILE 54 Cb -0.07 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2cm0 s ILE 54 CO 0.00 0.30 1.31 -0.60 0.00 0.00 0.00 174.94 175.95 2cm0 s ARG 55 N 1.45 4.29 0.36 2.79 3.52 -1.26 -0.98 118.95 129.12 2cm0 s ARG 55 Ca 0.02 1.81 0.07 0.00 -0.13 0.00 0.00 55.73 57.49 2cm0 s ARG 55 Cb -0.15 -3.63 0.77 0.00 -1.56 0.00 0.00 34.95 30.38 2cm0 s ARG 55 CO -0.09 -0.57 1.94 0.82 -0.81 0.00 0.00 175.30 176.60 2cm0 h ILE 56 N 5.10 0.99 0.00 4.11 2.04 -1.25 -1.26 117.51 127.23 2cm0 h ILE 56 Ca -0.34 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2cm0 h ILE 56 Cb 1.16 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2cm0 h ILE 56 CO 0.91 0.13 0.00 0.61 0.00 0.00 0.00 178.15 179.80 2cm0 n GLY 57 N -1.45 -1.11 3.65 5.37 0.00 -1.26 -3.83 105.19 106.56 2cm0 n GLY 57 Ca 0.12 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2cm0 n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cm0 n ASN 58 N -1.16 1.76 -0.09 1.61 2.85 -0.48 -4.78 115.26 114.98 2cm0 n ASN 58 Ca 0.17 1.04 -0.07 0.00 -0.11 0.00 0.00 54.58 55.62 2cm0 n ASN 58 Cb 0.17 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 39.78 2cm0 n ASN 58 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2cm0 h THR 59 N 1.66 0.94 -0.13 -0.44 1.35 -1.90 -1.12 112.91 113.28 2cm0 h THR 59 Ca -0.46 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2cm0 h THR 59 Cb 1.32 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2cm0 h THR 59 CO 0.58 0.05 0.07 0.00 -0.25 0.00 0.00 175.52 175.96 2cm0 h ALA 60 N 1.19 0.17 0.24 6.62 0.00 -1.96 -2.06 119.26 123.46 2cm0 h ALA 60 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2cm0 h ALA 60 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cm0 h ALA 60 CO -0.12 -0.28 -0.11 0.35 0.00 0.00 0.00 179.25 179.08 2cm0 h PHE 61 N 0.10 -0.30 0.00 0.00 3.04 -1.85 0.94 116.94 118.87 2cm0 h PHE 61 Ca 0.05 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 2cm0 h PHE 61 Cb 0.10 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 2cm0 h PHE 61 CO -0.03 -0.08 -0.11 0.66 -2.02 0.00 0.00 178.31 176.73 2cm0 h SER 62 N -0.47 0.00 0.00 0.41 4.64 -1.22 -1.30 113.55 115.61 2cm0 h SER 62 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2cm0 h SER 62 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2cm0 h SER 62 CO 0.05 0.11 -1.86 0.35 -0.87 0.00 0.00 176.83 174.61 2cm0 n THR 63 N -4.22 0.01 0.15 2.95 -2.24 -0.78 -4.35 114.28 105.81 2cm0 n THR 63 Ca -0.03 -0.43 0.04 0.00 -2.27 0.00 0.00 64.05 61.36 2cm0 n THR 63 Cb 0.19 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 2cm0 n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2cm0 n ARG 64 N -2.16 2.24 0.00 -0.78 1.74 0.32 -4.79 116.66 113.23 2cm0 n ARG 64 Ca -0.04 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2cm0 n ARG 64 Cb 0.49 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 2cm0 n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2cm0 n LEU 65 N -1.49 0.30 -0.26 0.55 4.77 -0.69 -4.44 117.00 115.75 2cm0 n LEU 65 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2cm0 n LEU 65 Cb 0.16 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 2cm0 n LEU 65 CO 0.15 0.02 0.93 0.25 -1.33 0.00 0.00 177.39 177.42 2cm0 h LEU 66 N 0.00 0.01 -1.41 2.23 5.85 -1.48 -1.09 115.31 119.42 2cm0 h LEU 66 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2cm0 h LEU 66 Cb 0.93 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2cm0 h LEU 66 CO 0.00 -0.06 0.00 -0.81 -0.34 0.00 0.00 178.44 177.23 2cm0 n PRO 67 N -5.17 1.89 -4.06 5.25 -0.04 -1.26 -4.86 135.00 126.75 2cm0 n PRO 67 Ca 0.16 -1.38 -0.35 0.00 -0.04 0.00 0.00 63.50 61.89 2cm0 n PRO 67 Cb 0.51 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 2cm0 n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cm0 s VAL 68 N -1.49 3.91 0.06 0.52 1.01 -0.41 -5.07 120.40 118.93 2cm0 s VAL 68 Ca 0.26 -0.33 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 2cm0 s VAL 68 Cb 0.13 -2.77 -0.14 0.00 0.00 0.00 0.00 36.38 33.60 2cm0 s VAL 68 CO 0.17 0.43 1.62 -1.14 0.00 0.00 0.00 175.10 176.17 2cm0 n ARG 69 N 4.30 1.91 0.00 2.72 0.63 -1.26 -2.23 116.66 122.73 2cm0 n ARG 69 Ca -0.17 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 2cm0 n ARG 69 Cb 0.52 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.98 2cm0 n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cm0 n GLY 70 N 3.53 2.98 0.31 5.14 0.00 -1.26 -3.95 105.19 111.94 2cm0 n GLY 70 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2cm0 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cm0 h ALA 71 N 0.00 -0.73 -0.11 4.61 0.00 -1.71 -2.04 119.26 119.28 2cm0 h ALA 71 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2cm0 h ALA 71 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2cm0 h ALA 71 CO 0.00 -0.90 -0.29 0.28 0.00 0.00 0.00 179.25 178.34 2cm0 h VAL 72 N -0.75 1.25 -0.10 0.00 2.07 -1.76 -2.31 116.25 114.65 2cm0 h VAL 72 Ca -0.07 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 2cm0 h VAL 72 Cb 0.57 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2cm0 h VAL 72 CO 0.12 0.36 -0.01 -0.33 0.02 0.00 0.00 177.57 177.74 2cm0 h GLU 73 N 0.19 0.14 -0.39 1.57 3.07 -1.88 -1.78 114.58 115.50 2cm0 h GLU 73 Ca 0.03 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.75 2cm0 h GLU 73 Cb 0.62 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2cm0 h GLU 73 CO 0.05 0.17 -0.23 0.00 -1.40 0.00 0.00 179.01 177.59 2cm0 h LEU 75 N 0.69 0.77 -0.54 0.00 3.38 -1.32 -1.62 115.31 116.66 2cm0 h LEU 75 Ca 0.09 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2cm0 h LEU 75 Cb 0.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2cm0 h LEU 75 CO 0.06 0.82 0.05 -0.26 0.09 0.00 0.00 178.44 179.19 2cm0 h PHE 76 N 0.76 1.00 0.00 1.13 0.04 -1.10 -1.16 116.94 117.61 2cm0 h PHE 76 Ca 0.15 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2cm0 h PHE 76 Cb 0.41 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2cm0 h PHE 76 CO 0.02 0.90 -0.30 0.93 -0.60 0.00 0.00 178.31 179.26 2cm0 h GLU 77 N 0.81 0.00 -0.08 1.51 5.08 -1.03 -2.44 114.58 118.43 2cm0 h GLU 77 Ca 0.16 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2cm0 h GLU 77 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2cm0 h GLU 77 CO 0.02 0.30 -0.40 0.52 -1.00 0.00 0.00 179.01 178.46 2cm0 h MET 78 N 0.00 0.17 0.00 2.33 2.86 -0.91 -3.46 114.93 115.92 2cm0 h MET 78 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2cm0 h MET 78 Cb 0.64 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2cm0 h MET 78 CO 0.04 0.55 0.00 0.41 1.06 0.00 0.00 176.91 178.97 2cm0 n GLY 79 N -0.26 -0.01 3.79 8.32 0.00 -0.92 -3.70 105.19 112.40 2cm0 n GLY 79 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2cm0 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cm0 s PHE 80 N -0.71 3.03 -0.02 1.61 0.40 -0.48 -4.46 117.98 117.36 2cm0 s PHE 80 Ca 0.00 1.59 0.05 0.00 -0.60 0.00 0.00 56.93 57.97 2cm0 s PHE 80 Cb 0.00 -3.15 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 2cm0 s PHE 80 CO 0.00 -0.93 -0.18 -1.21 0.70 0.00 0.00 175.22 173.60 2cm0 s GLU 81 N -2.93 1.53 -0.00 0.44 2.02 0.02 -4.25 118.70 115.53 2cm0 s GLU 81 Ca 0.64 -0.65 -0.24 0.00 0.02 0.00 0.00 54.97 54.75 2cm0 s GLU 81 Cb -0.21 -1.45 -0.05 0.00 0.10 0.00 0.00 34.13 32.52 2cm0 s GLU 81 CO 0.25 0.37 0.71 -2.00 0.02 0.00 0.00 175.26 174.62 2cm0 s GLU 82 N -0.36 4.44 0.04 1.61 2.12 -1.26 -0.64 118.70 124.64 2cm0 s GLU 82 Ca 0.06 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2cm0 s GLU 82 Cb -0.08 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2cm0 s GLU 82 CO -0.00 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 2cm0 n GLY 83 N 2.66 3.96 0.26 -1.50 0.00 0.29 -4.99 105.19 105.86 2cm0 n GLY 83 Ca -0.03 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 2cm0 n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cm0 h GLU 84 N 0.00 0.53 0.00 1.61 3.07 -2.03 -3.37 114.58 114.40 2cm0 h GLU 84 Ca -0.03 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2cm0 h GLU 84 Cb 0.09 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2cm0 h GLU 84 CO 0.05 0.62 -0.83 0.25 -1.40 0.00 0.00 179.01 177.70 2cm0 n THR 85 N -4.22 0.00 -4.15 1.13 -2.24 -1.26 -5.00 114.28 98.54 2cm0 n THR 85 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2cm0 n THR 85 Cb 0.30 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 2cm0 n THR 85 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cm0 s HIS 86 N -1.67 0.79 -0.18 4.78 3.76 -1.26 -0.68 115.29 120.83 2cm0 s HIS 86 Ca 0.00 -1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 53.80 2cm0 s HIS 86 Cb 0.00 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 2cm0 s HIS 86 CO 0.00 -0.30 0.07 -0.51 -0.85 0.00 0.00 174.74 173.15 2cm0 s LEU 87 N -3.02 3.87 -0.03 0.89 1.02 -0.15 -0.55 118.68 120.71 2cm0 s LEU 87 Ca 0.14 0.11 0.06 0.00 0.02 0.00 0.00 54.13 54.46 2cm0 s LEU 87 Cb 0.07 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 2cm0 s LEU 87 CO -0.05 0.18 -0.22 -0.63 0.02 0.00 0.00 176.35 175.65 2cm0 s ILE 88 N 0.33 1.79 -0.49 -0.59 -1.09 0.19 -1.25 121.20 120.10 2cm0 s ILE 88 Ca 0.04 -0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 57.37 2cm0 s ILE 88 Cb -0.12 -1.50 0.10 0.00 -1.58 0.00 0.00 42.46 39.35 2cm0 s ILE 88 CO -0.00 0.51 0.40 0.12 -1.23 0.00 0.00 174.94 174.73 2cm0 s PHE 89 N -0.36 3.29 0.69 3.97 5.36 0.02 -0.80 117.98 130.14 2cm0 s PHE 89 Ca 0.04 -1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 54.57 2cm0 s PHE 89 Cb -0.10 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 2cm0 s PHE 89 CO 0.01 -0.90 0.87 -2.30 -1.46 0.00 0.00 175.22 171.43 2cm0 n PRO 90 N 5.13 0.55 0.24 10.12 -0.02 -1.26 -4.86 135.00 144.89 2cm0 n PRO 90 Ca -0.12 0.24 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2cm0 n PRO 90 Cb 0.42 -2.12 0.59 0.00 -0.02 0.00 0.00 33.50 32.37 2cm0 n PRO 90 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2cm0 h LYS 91 N -0.10 0.00 0.00 -0.52 1.57 -1.98 -2.09 116.57 113.45 2cm0 h LYS 91 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2cm0 h LYS 91 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2cm0 h LYS 91 CO 0.47 0.19 0.00 1.57 -0.57 0.00 0.00 179.45 181.11 2cm0 h LYS 92 N 0.00 0.00 -7.02 3.15 2.10 -2.02 -3.47 116.57 109.32 2cm0 h LYS 92 Ca -0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2cm0 h LYS 92 Cb 0.46 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 31.95 2cm0 h LYS 92 CO 0.03 0.00 0.46 0.00 -2.00 0.00 0.00 179.45 177.94 2cm0 n ALA 93 N -1.84 1.10 -2.67 0.07 0.00 -0.79 -4.95 120.51 111.42 2cm0 n ALA 93 Ca 0.05 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 2cm0 n ALA 93 Cb 0.43 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 2cm0 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cm0 s SER 94 N -1.18 7.10 0.47 0.00 0.15 -1.26 -4.92 113.70 114.07 2cm0 s SER 94 Ca 0.77 1.37 0.27 0.00 0.70 0.00 0.00 55.95 59.06 2cm0 s SER 94 Cb -0.40 -2.52 0.87 0.00 -1.71 0.00 0.00 66.02 62.26 2cm0 s SER 94 CO 0.45 -0.52 1.80 -0.37 1.20 0.00 0.00 173.24 175.80 2cm0 h VAL 95 N 5.27 0.19 -0.34 4.45 -1.51 -1.93 -2.45 116.25 119.92 2cm0 h VAL 95 Ca -0.26 -0.92 -0.12 0.00 -1.23 0.00 0.00 66.70 64.17 2cm0 h VAL 95 Cb 1.11 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2cm0 h VAL 95 CO 0.90 0.08 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.73 2cm0 h GLU 96 N 0.00 0.78 -0.66 5.19 3.07 -1.97 -1.11 114.58 119.88 2cm0 h GLU 96 Ca -0.00 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 58.39 2cm0 h GLU 96 Cb 0.77 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 2cm0 h GLU 96 CO 0.01 1.01 0.08 0.37 -1.40 0.00 0.00 179.01 179.08 2cm0 h GLN 97 N 0.56 1.11 -0.26 2.33 5.75 -1.84 -1.30 115.11 121.45 2cm0 h GLN 97 Ca 0.06 -0.31 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2cm0 h GLN 97 Cb 0.83 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 2cm0 h GLN 97 CO 0.07 1.03 0.13 1.25 -2.65 0.00 0.00 178.83 178.66 2cm0 h LEU 98 N 1.02 0.21 -1.04 -2.39 5.85 -1.28 -2.19 115.31 115.49 2cm0 h LEU 98 Ca 0.20 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2cm0 h LEU 98 Cb 0.48 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2cm0 h LEU 98 CO 0.02 0.16 0.06 -0.61 -0.34 0.00 0.00 178.44 177.73 2cm0 h GLN 99 N 0.28 0.75 -0.23 1.25 5.75 -1.02 -1.62 115.11 120.28 2cm0 h GLN 99 Ca 0.11 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2cm0 h GLN 99 Cb 0.02 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2cm0 h GLN 99 CO -0.07 0.72 0.13 -0.22 -2.65 0.00 0.00 178.83 176.74 2cm0 h LYS 100 N 0.71 0.31 -0.23 1.69 3.64 -0.81 -1.16 116.57 120.73 2cm0 h LYS 100 Ca 0.15 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 2cm0 h LYS 100 Cb 0.35 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2cm0 h LYS 100 CO 0.01 0.27 -0.49 0.82 -2.27 0.00 0.00 179.45 177.79 2cm0 h ILE 101 N 0.27 1.31 -0.48 2.00 1.08 -1.30 -2.20 117.51 118.18 2cm0 h ILE 101 Ca 0.08 -1.70 0.06 0.00 -0.39 0.00 0.00 64.86 62.90 2cm0 h ILE 101 Cb 0.04 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 2cm0 h ILE 101 CO -0.01 0.54 0.20 -0.09 -0.69 0.00 0.00 178.15 178.09 2cm0 h ARG 102 N 0.49 0.38 -0.32 2.37 1.12 -1.07 -1.48 114.38 115.87 2cm0 h ARG 102 Ca 0.02 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 2cm0 h ARG 102 Cb 1.03 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.90 2cm0 h ARG 102 CO 0.10 0.25 -0.40 -0.44 -3.11 0.00 0.00 179.97 176.37 2cm0 h ASP 103 N 0.40 0.84 0.29 -3.80 3.32 -1.11 -1.86 116.42 114.50 2cm0 h ASP 103 Ca 0.22 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2cm0 h ASP 103 Cb 0.20 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2cm0 h ASP 103 CO -0.20 1.13 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.24 2cm0 h LEU 104 N 0.64 0.00 0.03 1.55 3.38 -0.92 -1.91 115.31 118.08 2cm0 h LEU 104 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2cm0 h LEU 104 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2cm0 h LEU 104 CO 0.09 0.14 -0.28 0.40 0.09 0.00 0.00 178.44 178.88 2cm0 h ILE 105 N 0.00 1.67 -0.93 1.22 2.04 -1.13 -0.50 117.51 119.88 2cm0 h ILE 105 Ca -0.00 -2.38 0.11 0.00 1.00 0.00 0.00 64.86 63.59 2cm0 h ILE 105 Cb 0.32 3.28 -0.07 0.00 -0.74 0.00 0.00 36.82 39.61 2cm0 h ILE 105 CO 0.02 0.62 0.60 0.00 0.00 0.00 0.00 178.15 179.38 2cm0 h ALA 106 N -0.01 1.63 0.00 1.87 0.00 -1.06 -1.58 119.26 120.11 2cm0 h ALA 106 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cm0 h ALA 106 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2cm0 h ALA 106 CO 0.02 0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.87 2cm0 n ILE 107 N -4.56 0.59 0.95 0.00 -5.35 -0.74 -2.58 119.36 107.66 2cm0 n ILE 107 Ca 0.17 0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.90 2cm0 n ILE 107 Cb 0.35 -0.87 0.06 0.00 -1.74 0.00 0.00 39.64 37.43 2cm0 n ILE 107 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2cm0 n GLU 108 N -1.32 1.86 0.00 6.28 -0.58 -0.59 -4.95 120.64 121.33 2cm0 n GLU 108 Ca 0.07 -1.55 0.15 0.00 -0.42 0.00 0.00 57.16 55.42 2cm0 n GLU 108 Cb 0.14 -1.44 0.76 0.00 -0.57 0.00 0.00 31.44 30.33 2cm0 n GLU 108 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19