#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6p n GLU 2 N 0.00 2.23 -1.67 1.64 2.13 -1.26 -4.97 120.64 118.74 3d6p n GLU 2 Ca 0.00 0.79 -0.32 0.00 0.66 0.00 0.00 57.16 58.30 3d6p n GLU 2 Cb 0.00 -2.47 0.04 0.00 0.27 0.00 0.00 31.44 29.28 3d6p n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d6p s THR 3 N -0.19 3.85 0.23 6.31 -4.23 -1.26 -4.85 115.64 115.51 3d6p s THR 3 Ca 0.65 0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 61.77 3d6p s THR 3 Cb -0.60 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.13 3d6p s THR 3 CO 0.51 -0.71 1.89 0.00 -0.54 0.00 0.00 174.62 175.77 3d6p h ALA 4 N -0.43 1.15 -0.69 3.99 0.00 -1.93 0.55 119.26 121.89 3d6p h ALA 4 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3d6p h ALA 4 Cb 1.22 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3d6p h ALA 4 CO 0.56 0.59 0.44 0.00 0.00 0.00 0.00 179.25 180.84 3d6p h ALA 5 N 1.31 0.88 -0.27 0.00 0.00 -1.86 -1.05 119.26 118.26 3d6p h ALA 5 Ca 0.33 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3d6p h ALA 5 Cb -0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3d6p h ALA 5 CO -0.06 0.32 -0.51 0.00 0.00 0.00 0.00 179.25 179.00 3d6p h ALA 6 N 1.24 0.60 -0.80 0.00 0.00 -1.79 -1.87 119.26 116.64 3d6p h ALA 6 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3d6p h ALA 6 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3d6p h ALA 6 CO -0.05 0.68 0.51 -0.22 0.00 0.00 0.00 179.25 180.17 3d6p h LYS 7 N 0.59 1.07 -0.44 0.00 3.64 -0.70 -0.86 116.57 119.87 3d6p h LYS 7 Ca 0.02 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3d6p h LYS 7 Cb 1.08 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 3d6p h LYS 7 CO 0.11 0.73 0.22 0.35 -2.27 0.00 0.00 179.45 178.59 3d6p h PHE 8 N 1.09 0.41 -0.79 1.91 3.57 -0.87 0.62 116.94 122.89 3d6p h PHE 8 Ca 0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 3d6p h PHE 8 Cb -0.09 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3d6p h PHE 8 CO -0.01 0.21 0.38 0.93 -2.23 0.00 0.00 178.31 177.59 3d6p h GLU 9 N 0.45 1.13 -0.36 1.11 5.08 -0.92 0.26 114.58 121.32 3d6p h GLU 9 Ca 0.19 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3d6p h GLU 9 Cb 0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3d6p h GLU 9 CO -0.13 0.87 0.03 -0.09 -1.00 0.00 0.00 179.01 178.69 3d6p h ARG 10 N 1.11 0.61 0.00 2.33 2.43 -0.67 -1.87 114.38 118.31 3d6p h ARG 10 Ca 0.27 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 3d6p h ARG 10 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3d6p h ARG 10 CO -0.03 0.70 -0.71 1.96 -1.51 0.00 0.00 179.97 180.37 3d6p h GLN 11 N 0.43 0.00 0.00 0.20 4.20 -0.75 -3.42 115.11 115.78 3d6p h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3d6p h GLN 11 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3d6p h GLN 11 CO 0.01 0.66 -0.13 0.72 -0.67 0.00 0.00 178.83 179.42 3d6p n HIS 12 N -3.25 0.00 -3.81 2.96 8.25 0.07 -4.67 115.22 114.77 3d6p n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 3d6p n HIS 12 Cb 0.81 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.81 3d6p n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d6p s MET 13 N -0.66 3.84 -0.42 -0.41 -1.94 -0.71 0.24 119.30 119.25 3d6p s MET 13 Ca 0.00 -0.39 0.05 0.00 -1.71 0.00 0.00 55.69 53.64 3d6p s MET 13 Cb 0.00 -3.37 0.18 0.00 2.01 0.00 0.00 34.83 33.65 3d6p s MET 13 CO 0.00 -0.02 0.40 -3.47 -0.01 0.00 0.00 175.02 171.93 3d6p n ASP 14 N 4.45 -0.79 0.26 3.03 2.03 -0.36 -4.83 116.55 120.34 3d6p n ASP 14 Ca -0.16 -2.47 0.15 0.00 0.52 0.00 0.00 54.79 52.83 3d6p n ASP 14 Cb 0.52 -0.28 0.61 0.00 -0.72 0.00 0.00 41.12 41.25 3d6p n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3d6p h SER 15 N 5.40 0.00 -0.51 1.67 0.02 -1.76 -3.36 113.55 115.01 3d6p h SER 15 Ca 0.23 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3d6p h SER 15 Cb 0.93 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3d6p h SER 15 CO 0.34 0.08 -0.26 -1.54 -1.14 0.00 0.00 176.83 174.32 3d6p n SER 16 N -3.22 -0.45 -4.67 3.07 3.41 -1.26 -4.62 113.62 105.88 3d6p n SER 16 Ca 0.00 0.90 -0.25 0.00 -0.26 0.00 0.00 58.87 59.26 3d6p n SER 16 Cb 0.34 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 3d6p n SER 16 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3d6p s THR 17 N -5.36 2.41 -0.19 6.66 2.01 -1.26 -5.02 115.64 114.89 3d6p s THR 17 Ca -0.07 -1.86 0.23 0.00 0.31 0.00 0.00 61.69 60.30 3d6p s THR 17 Cb 0.08 -2.91 0.27 0.00 0.01 0.00 0.00 72.50 69.94 3d6p s THR 17 CO 0.34 -0.09 1.67 0.77 -0.69 0.00 0.00 174.62 176.62 3d6p h SER 18 N 1.65 0.00 -5.04 3.53 4.64 -1.85 -3.45 113.55 113.04 3d6p h SER 18 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 3d6p h SER 18 Cb 1.25 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.22 3d6p h SER 18 CO 0.70 0.15 0.08 0.00 -0.87 0.00 0.00 176.83 176.90 3d6p s ALA 19 N -3.30 -1.27 0.00 5.18 0.00 -1.26 -4.85 121.76 116.26 3d6p s ALA 19 Ca 0.04 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 3d6p s ALA 19 Cb 0.07 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 3d6p s ALA 19 CO 0.66 -0.73 1.17 0.00 0.00 0.00 0.00 175.76 176.86 3d6p s ALA 20 N -3.79 3.40 0.00 0.00 0.00 -1.26 -5.02 121.76 115.10 3d6p s ALA 20 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3d6p s ALA 20 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3d6p s ALA 20 CO -0.11 -0.54 0.00 0.43 0.00 0.00 0.00 175.76 175.54 3d6p n SER 21 N 4.45 0.00 -4.93 0.00 7.64 -1.26 -4.96 113.62 114.55 3d6p n SER 21 Ca 0.09 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 3d6p n SER 21 Cb 0.47 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.73 3d6p n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d6p s SER 22 N -1.55 4.99 0.59 6.43 1.04 -1.26 -4.95 113.70 118.98 3d6p s SER 22 Ca 0.00 0.43 0.39 0.00 0.48 0.00 0.00 55.95 57.25 3d6p s SER 22 Cb 0.00 -1.16 2.10 0.00 0.10 0.00 0.00 66.02 67.07 3d6p s SER 22 CO 0.00 -1.46 2.20 0.77 0.98 0.00 0.00 173.24 175.73 3d6p h SER 23 N -0.45 0.00 0.08 7.02 4.64 -1.93 -1.78 113.55 121.12 3d6p h SER 23 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3d6p h SER 23 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3d6p h SER 23 CO 0.59 0.00 -0.04 -3.20 -0.87 0.00 0.00 176.83 173.31 3d6p n ASN 24 N -2.91 0.90 -0.13 4.97 5.15 -1.26 -4.21 115.26 117.76 3d6p n ASN 24 Ca -0.02 -1.16 -0.06 0.00 -0.60 0.00 0.00 54.58 52.73 3d6p n ASN 24 Cb 0.08 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 3d6p n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3d6p h TYR 25 N 1.35 -0.77 -0.58 1.20 3.20 -1.69 -1.98 116.97 117.71 3d6p h TYR 25 Ca 0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3d6p h TYR 25 Cb 0.35 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3d6p h TYR 25 CO 0.00 -0.35 0.19 0.00 -1.64 0.00 0.00 178.16 176.36 3d6p h ASN 27 N 0.80 0.12 -0.19 0.00 2.35 -1.71 0.98 115.58 117.94 3d6p h ASN 27 Ca 0.19 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3d6p h ASN 27 Cb 0.26 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3d6p h ASN 27 CO -0.01 0.09 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.19 3d6p h GLN 28 N 0.32 0.38 -0.20 0.81 -0.00 -1.11 -3.07 115.11 112.24 3d6p h GLN 28 Ca 0.27 -0.15 -0.13 0.00 -0.00 0.00 0.00 58.65 58.65 3d6p h GLN 28 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.81 3d6p h GLN 28 CO -0.31 0.65 -0.37 0.52 0.00 0.00 0.00 178.83 179.31 3d6p h MET 29 N 0.09 0.61 -0.68 1.69 2.86 -0.59 -1.49 114.93 117.43 3d6p h MET 29 Ca 0.05 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3d6p h MET 29 Cb 0.51 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 3d6p h MET 29 CO 0.02 1.00 0.45 0.52 1.06 0.00 0.00 176.91 179.96 3d6p h MET 30 N 0.30 0.83 0.12 1.72 2.86 -0.91 -1.39 114.93 118.46 3d6p h MET 30 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3d6p h MET 30 Cb 0.97 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3d6p h MET 30 CO 0.08 0.55 -0.06 -0.22 1.06 0.00 0.00 176.91 178.33 3d6p h LYS 31 N 0.86 -0.16 0.00 1.72 3.64 -1.43 0.69 116.57 121.89 3d6p h LYS 31 Ca 0.26 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3d6p h LYS 31 Cb -0.01 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3d6p h LYS 31 CO -0.07 0.20 -0.12 0.66 -2.27 0.00 0.00 179.45 177.85 3d6p h SER 32 N -0.55 0.00 -0.66 4.20 4.64 -0.92 -1.60 113.55 118.66 3d6p h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3d6p h SER 32 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3d6p h SER 32 CO 0.03 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 3d6p n ARG 33 N -3.44 2.68 -3.12 4.77 5.12 -0.56 -4.95 116.66 117.16 3d6p n ARG 33 Ca -0.01 -2.43 -0.18 0.00 -1.93 0.00 0.00 57.85 53.30 3d6p n ARG 33 Cb 0.29 -1.56 0.05 0.00 -1.16 0.00 0.00 32.46 30.07 3d6p n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d6p n ASN 34 N 1.40 -5.20 -0.90 0.55 3.02 -0.60 -4.84 115.26 108.69 3d6p n ASN 34 Ca 0.23 -0.33 0.10 0.00 -0.03 0.00 0.00 54.58 54.54 3d6p n ASN 34 Cb 0.60 -3.90 0.15 0.00 -0.61 0.00 0.00 39.78 36.02 3d6p n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d6p n LEU 35 N -3.57 2.99 -0.02 3.41 4.77 0.22 -4.13 117.00 120.67 3d6p n LEU 35 Ca -0.03 -1.40 0.03 0.00 -0.03 0.00 0.00 56.01 54.58 3d6p n LEU 35 Cb 0.56 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3d6p n LEU 35 CO 0.43 0.63 0.52 0.35 -1.33 0.00 0.00 177.39 177.99 3d6p n THR 36 N 1.14 1.27 -2.58 -5.08 -2.24 -1.17 -1.91 114.28 103.70 3d6p n THR 36 Ca 0.15 -1.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.12 3d6p n THR 36 Cb 0.51 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3d6p n THR 36 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3d6p s LYS 37 N -1.57 4.51 0.00 -0.78 2.36 -1.26 -4.08 119.74 118.93 3d6p s LYS 37 Ca 0.10 1.58 0.00 0.00 -2.55 0.00 0.00 55.97 55.10 3d6p s LYS 37 Cb 0.08 -3.40 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 3d6p s LYS 37 CO 0.01 -0.12 0.00 -0.40 1.55 0.00 0.00 175.35 176.39 3d6p n ASP 38 N 3.80 0.00 -3.45 1.43 3.85 -1.26 -4.79 116.55 116.13 3d6p n ASP 38 Ca 0.07 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 54.01 3d6p n ASP 38 Cb 0.49 -0.16 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 3d6p n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3d6p s ARG 39 N 0.00 1.22 -0.39 0.11 1.04 -1.26 -5.08 118.95 114.59 3d6p s ARG 39 Ca 0.00 -0.28 -0.29 0.00 -1.04 0.00 0.00 55.73 54.12 3d6p s ARG 39 Cb 0.00 0.57 0.02 0.00 -2.04 0.00 0.00 34.95 33.50 3d6p s ARG 39 CO 0.00 -0.50 1.11 0.00 -0.04 0.00 0.00 175.30 175.87 3d6p s LYS 41 N 4.02 4.06 0.16 0.00 2.20 -0.80 -4.89 119.74 124.48 3d6p s LYS 41 Ca 0.47 2.32 -0.12 0.00 -0.36 0.00 0.00 55.97 58.28 3d6p s LYS 41 Cb -0.10 -4.09 0.03 0.00 -1.51 0.00 0.00 37.83 32.16 3d6p s LYS 41 CO 0.23 -1.02 1.62 -1.35 -0.36 0.00 0.00 175.35 174.46 3d6p h PRO 42 N 10.48 0.92 -3.91 4.03 0.11 -1.94 -3.44 132.00 138.26 3d6p h PRO 42 Ca -0.43 -0.28 -0.38 0.00 0.11 0.00 0.00 66.00 65.01 3d6p h PRO 42 Cb 1.21 -0.09 -0.34 0.00 0.11 0.00 0.00 31.00 31.89 3d6p h PRO 42 CO 0.95 0.93 -0.76 0.08 -0.21 0.00 0.00 178.00 178.99 3d6p s VAL 43 N -5.05 0.39 -0.22 3.15 1.01 -1.26 0.02 120.40 118.43 3d6p s VAL 43 Ca -0.12 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 3d6p s VAL 43 Cb 0.12 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 36.13 3d6p s VAL 43 CO 0.83 0.19 0.57 0.21 0.00 0.00 0.00 175.10 176.90 3d6p s ASN 44 N 0.91 -0.68 -0.13 3.32 2.47 -0.15 -5.02 114.94 115.66 3d6p s ASN 44 Ca -0.11 1.21 -0.04 0.00 0.42 0.00 0.00 52.86 54.34 3d6p s ASN 44 Cb -0.14 1.15 -0.03 0.00 -1.45 0.00 0.00 41.25 40.78 3d6p s ASN 44 CO -0.00 -0.21 0.00 -0.89 -3.72 0.00 0.00 177.10 172.28 3d6p s THR 45 N 0.91 4.31 -0.07 -5.21 2.01 -1.26 -0.67 115.64 115.67 3d6p s THR 45 Ca -0.05 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 3d6p s THR 45 Cb -0.05 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3d6p s THR 45 CO -0.08 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.00 3d6p s PHE 46 N -0.20 3.07 -0.15 4.92 0.08 -0.11 -4.37 117.98 121.23 3d6p s PHE 46 Ca 0.05 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 3d6p s PHE 46 Cb -0.12 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3d6p s PHE 46 CO 0.02 0.42 -0.08 0.08 -0.10 0.00 0.00 175.22 175.56 3d6p s VAL 47 N -0.89 3.51 -2.48 -0.44 1.01 0.14 -0.43 120.40 120.82 3d6p s VAL 47 Ca 0.14 -0.50 0.24 0.00 0.00 0.00 0.00 61.98 61.86 3d6p s VAL 47 Cb -0.11 -2.51 0.13 0.00 0.00 0.00 0.00 36.38 33.88 3d6p s VAL 47 CO 0.03 0.51 1.23 1.41 0.00 0.00 0.00 175.10 178.28 3d6p n HIS 48 N 3.56 0.00 -1.58 5.22 -0.00 0.18 -1.22 115.22 121.38 3d6p n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 3d6p n HIS 48 Cb 0.53 -0.01 0.12 0.00 -0.00 0.00 0.00 29.99 30.62 3d6p n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d6p s GLU 49 N -2.24 1.55 0.68 -0.41 0.41 -1.26 -4.37 118.70 113.06 3d6p s GLU 49 Ca 0.24 0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 55.03 3d6p s GLU 49 Cb 0.19 -1.88 0.01 0.00 -1.78 0.00 0.00 34.13 30.67 3d6p s GLU 49 CO 0.43 -1.94 1.21 -1.54 -0.49 0.00 0.00 175.26 172.94 3d6p s SER 50 N -4.04 4.59 0.24 -0.19 1.04 -1.26 -4.36 113.70 109.72 3d6p s SER 50 Ca 0.63 2.38 -0.05 0.00 0.48 0.00 0.00 55.95 59.38 3d6p s SER 50 Cb -0.14 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.75 3d6p s SER 50 CO 0.53 -2.00 1.80 0.25 0.98 0.00 0.00 173.24 174.81 3d6p h LEU 51 N 0.18 0.61 -0.57 2.42 5.85 -1.96 -1.38 115.31 120.46 3d6p h LEU 51 Ca -0.49 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.36 3d6p h LEU 51 Cb 1.30 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3d6p h LEU 51 CO 0.52 0.35 0.23 0.00 -0.34 0.00 0.00 178.44 179.20 3d6p h ALA 52 N 1.44 0.72 -0.50 1.25 0.00 -1.99 0.10 119.26 120.29 3d6p h ALA 52 Ca 0.38 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 3d6p h ALA 52 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3d6p h ALA 52 CO -0.25 -0.17 -0.05 -0.44 0.00 0.00 0.00 179.25 178.34 3d6p h ASP 53 N 0.42 0.85 -0.24 0.00 5.19 -1.73 -1.19 116.42 119.72 3d6p h ASP 53 Ca 0.28 -0.24 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 3d6p h ASP 53 Cb 0.30 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 3d6p h ASP 53 CO -0.26 0.94 -0.24 0.58 -3.12 0.00 0.00 179.24 177.14 3d6p h VAL 54 N 0.79 1.32 -0.30 -1.35 2.07 -0.84 -2.97 116.25 114.97 3d6p h VAL 54 Ca 0.14 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3d6p h VAL 54 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3d6p h VAL 54 CO 0.03 0.44 0.16 1.56 0.02 0.00 0.00 177.57 179.78 3d6p h GLN 55 N 0.29 0.40 0.00 1.57 4.20 -0.65 -1.39 115.11 119.52 3d6p h GLN 55 Ca 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d6p h GLN 55 Cb 0.80 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3d6p h GLN 55 CO 0.06 0.29 -0.00 0.00 -0.67 0.00 0.00 178.83 178.51 3d6p h ALA 56 N 1.78 1.02 -0.00 3.87 0.00 -1.05 -2.45 119.26 122.42 3d6p h ALA 56 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d6p h ALA 56 Cb 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d6p h ALA 56 CO -0.02 0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.52 3d6p h VAL 57 N 0.00 0.57 0.00 0.00 2.07 -1.25 -0.93 116.25 116.71 3d6p h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d6p h VAL 57 Cb 0.18 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3d6p h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d6p n SER 59 N -1.32 3.23 0.00 0.00 3.41 -0.35 -5.01 113.62 113.58 3d6p n SER 59 Ca 0.06 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 3d6p n SER 59 Cb 0.12 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3d6p n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d6p n GLN 60 N -0.16 0.00 -2.81 4.33 6.02 -0.06 -5.01 117.38 119.69 3d6p n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3d6p n GLN 60 Cb 0.63 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.85 3d6p n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d6p s LYS 61 N 3.93 3.49 0.09 -1.09 2.20 -0.95 -4.89 119.74 122.51 3d6p s LYS 61 Ca 0.00 0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.38 3d6p s LYS 61 Cb 0.00 -3.96 -0.08 0.00 -1.51 0.00 0.00 37.83 32.28 3d6p s LYS 61 CO 0.00 -1.31 1.49 1.21 -0.36 0.00 0.00 175.35 176.39 3d6p s ASN 62 N 2.42 6.73 0.05 1.43 3.04 -1.26 -0.24 114.94 127.11 3d6p s ASN 62 Ca 0.36 2.38 -0.01 0.00 0.04 0.00 0.00 52.86 55.63 3d6p s ASN 62 Cb -0.10 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 3d6p s ASN 62 CO 0.25 -0.76 -0.04 0.68 -3.04 0.00 0.00 177.10 174.19 3d6p s VAL 63 N 1.79 0.27 0.55 -5.21 -7.23 -0.17 -4.91 120.40 105.49 3d6p s VAL 63 Ca 0.68 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 3d6p s VAL 63 Cb -0.38 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.08 3d6p s VAL 63 CO 0.30 -0.94 1.15 0.00 -0.31 0.00 0.00 175.10 175.31 3d6p s ALA 64 N -3.66 2.69 0.53 1.32 0.00 -1.26 -2.91 121.76 118.48 3d6p s ALA 64 Ca 0.06 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 3d6p s ALA 64 Cb 0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3d6p s ALA 64 CO -0.09 -0.85 0.87 0.00 0.00 0.00 0.00 175.76 175.70 3d6p h LYS 66 N 0.04 0.50 -0.01 0.00 1.57 -1.93 -0.84 116.57 115.91 3d6p h LYS 66 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d6p h LYS 66 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3d6p h LYS 66 CO 0.62 0.33 0.00 0.27 -0.57 0.00 0.00 179.45 180.10 3d6p n ASN 67 N -4.52 0.36 0.00 0.86 0.23 -1.26 -4.90 115.26 106.03 3d6p n ASN 67 Ca 0.17 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 3d6p n ASN 67 Cb 0.56 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 3d6p n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d6p n GLY 68 N 1.01 1.10 3.72 4.83 0.00 -0.32 -5.06 105.19 110.47 3d6p n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3d6p n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6p s GLN 69 N -0.67 1.70 0.00 1.61 -0.21 -1.26 -4.74 119.66 116.09 3d6p s GLN 69 Ca 0.00 1.40 0.15 0.00 0.02 0.00 0.00 55.36 56.94 3d6p s GLN 69 Cb 0.00 -1.82 0.43 0.00 1.00 0.00 0.00 33.01 32.62 3d6p s GLN 69 CO 0.00 -2.10 1.36 0.25 -2.12 0.00 0.00 175.29 172.68 3d6p n THR 70 N -3.74 0.97 -1.29 -0.19 -2.24 -1.26 -0.86 114.28 105.67 3d6p n THR 70 Ca 0.11 -0.99 -0.23 0.00 -2.27 0.00 0.00 64.05 60.67 3d6p n THR 70 Cb 0.52 0.52 0.16 0.00 -2.10 0.00 0.00 70.33 69.44 3d6p n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d6p n ASN 71 N 0.96 4.28 -4.93 3.42 6.94 -1.26 -4.74 115.26 119.92 3d6p n ASN 71 Ca 0.16 -3.67 -0.29 0.00 -0.02 0.00 0.00 54.58 50.77 3d6p n ASN 71 Cb 0.50 -0.83 -0.04 0.00 -2.36 0.00 0.00 39.78 37.05 3d6p n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d6p s TYR 73 N -1.64 0.24 -0.16 0.00 1.51 0.41 -1.00 117.35 116.73 3d6p s TYR 73 Ca 0.36 0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 56.34 3d6p s TYR 73 Cb -0.12 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 3d6p s TYR 73 CO 0.28 -0.09 0.14 -1.14 -1.11 0.00 0.00 175.55 173.63 3d6p s GLN 74 N 0.76 3.85 0.28 -0.62 0.74 0.67 -1.21 119.66 124.13 3d6p s GLN 74 Ca -0.07 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 3d6p s GLN 74 Cb -0.10 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.59 3d6p s GLN 74 CO -0.01 0.52 1.45 -1.54 -0.55 0.00 0.00 175.29 175.16 3d6p s SER 75 N -0.28 6.59 0.25 6.67 1.04 0.01 -2.24 113.70 125.73 3d6p s SER 75 Ca 0.12 2.76 -0.03 0.00 0.48 0.00 0.00 55.95 59.28 3d6p s SER 75 Cb -0.12 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.66 3d6p s SER 75 CO 0.01 -0.73 1.73 1.88 0.98 0.00 0.00 173.24 177.10 3d6p h TYR 76 N 4.55 0.86 -2.69 5.02 0.05 -1.94 -3.43 116.97 119.39 3d6p h TYR 76 Ca -0.47 -0.14 -0.52 0.00 0.05 0.00 0.00 58.73 57.66 3d6p h TYR 76 Cb 1.22 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 3d6p h TYR 76 CO 0.58 0.82 -0.35 -1.12 -1.05 0.00 0.00 178.16 177.05 3d6p s SER 77 N -6.67 6.36 0.59 3.88 0.01 -1.26 -5.04 113.70 111.57 3d6p s SER 77 Ca -0.09 0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.32 3d6p s SER 77 Cb 0.14 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 3d6p s SER 77 CO 0.82 -0.07 1.07 0.42 0.41 0.00 0.00 173.24 175.89 3d6p s THR 78 N -1.93 3.66 0.07 1.44 -4.23 -1.26 -4.44 115.64 108.94 3d6p s THR 78 Ca 0.37 0.82 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 3d6p s THR 78 Cb -0.10 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 3d6p s THR 78 CO 0.30 -0.43 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.77 3d6p s MET 79 N -3.95 0.82 -0.10 3.99 -1.94 0.48 -4.86 119.30 113.75 3d6p s MET 79 Ca 0.65 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 3d6p s MET 79 Cb -0.17 -0.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.82 3d6p s MET 79 CO 0.36 0.18 1.42 0.45 -0.01 0.00 0.00 175.02 177.41 3d6p s SER 80 N -1.78 6.83 0.17 3.03 0.15 -1.26 -1.79 113.70 119.06 3d6p s SER 80 Ca -0.02 1.96 0.02 0.00 0.70 0.00 0.00 55.95 58.61 3d6p s SER 80 Cb -0.10 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3d6p s SER 80 CO 0.02 -0.81 0.01 0.27 1.20 0.00 0.00 173.24 173.93 3d6p s ILE 81 N 3.47 0.64 -0.09 6.45 -4.36 -0.37 -0.65 121.20 126.29 3d6p s ILE 81 Ca 0.63 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.06 3d6p s ILE 81 Cb -0.27 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3d6p s ILE 81 CO 0.22 -0.47 -0.14 -0.89 0.24 0.00 0.00 174.94 173.89 3d6p s THR 82 N -3.68 1.37 -0.17 8.37 2.01 0.43 -1.14 115.64 122.82 3d6p s THR 82 Ca 0.24 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 3d6p s THR 82 Cb 0.06 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3d6p s THR 82 CO 0.04 0.41 0.45 -1.81 -0.69 0.00 0.00 174.62 173.02 3d6p s ASP 83 N 0.87 6.55 -0.19 3.53 1.01 0.35 -0.93 116.67 127.85 3d6p s ASP 83 Ca -0.10 0.66 -0.03 0.00 0.71 0.00 0.00 52.55 53.79 3d6p s ASP 83 Cb -0.15 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 3d6p s ASP 83 CO 0.01 -0.06 -0.05 0.00 0.21 0.00 0.00 175.17 175.27 3d6p s ARG 85 N 1.08 0.56 0.40 0.00 3.52 -1.05 -0.98 118.95 122.48 3d6p s ARG 85 Ca 0.01 -0.00 -0.26 0.00 -0.13 0.00 0.00 55.73 55.34 3d6p s ARG 85 Cb -0.15 -0.67 -0.10 0.00 -1.56 0.00 0.00 34.95 32.47 3d6p s ARG 85 CO -0.00 -0.12 1.28 -1.91 -0.81 0.00 0.00 175.30 173.74 3d6p n GLU 86 N 4.15 2.00 -1.53 5.12 2.13 0.10 -1.37 120.64 131.24 3d6p n GLU 86 Ca -0.25 0.71 -0.30 0.00 0.66 0.00 0.00 57.16 57.98 3d6p n GLU 86 Cb 0.51 -2.38 0.08 0.00 0.27 0.00 0.00 31.44 29.92 3d6p n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d6p s THR 87 N -1.17 3.47 -0.39 6.31 -4.23 -0.59 -4.79 115.64 114.26 3d6p s THR 87 Ca 0.59 0.48 0.24 0.00 -1.18 0.00 0.00 61.69 61.82 3d6p s THR 87 Cb -0.52 -3.20 0.25 0.00 1.34 0.00 0.00 72.50 70.37 3d6p s THR 87 CO 0.59 -0.62 1.73 1.23 -0.54 0.00 0.00 174.62 177.00 3d6p h GLY 88 N -0.95 0.00 -1.41 3.99 0.00 -1.93 -2.94 103.07 99.84 3d6p h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d6p h GLY 88 CO 0.58 0.00 -0.05 -1.14 0.00 0.00 0.00 176.54 175.93 3d6p n SER 89 N -2.30 2.44 -4.74 0.19 3.41 -1.26 -5.00 113.62 106.36 3d6p n SER 89 Ca 0.01 -1.72 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 3d6p n SER 89 Cb 0.20 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3d6p n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d6p s SER 90 N -1.62 6.86 -0.16 4.04 0.15 -1.11 -5.01 113.70 116.85 3d6p s SER 90 Ca 0.21 2.44 -0.04 0.00 0.70 0.00 0.00 55.95 59.26 3d6p s SER 90 Cb 0.15 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 3d6p s SER 90 CO 0.26 -0.55 0.18 -0.75 1.20 0.00 0.00 173.24 173.58 3d6p s LYS 91 N -0.13 0.12 0.20 5.44 2.20 -1.19 -4.93 119.74 121.44 3d6p s LYS 91 Ca 0.57 0.30 -0.32 0.00 -0.36 0.00 0.00 55.97 56.17 3d6p s LYS 91 Cb -0.37 -0.95 -0.16 0.00 -1.51 0.00 0.00 37.83 34.84 3d6p s LYS 91 CO 0.39 -0.53 1.07 0.98 -0.36 0.00 0.00 175.35 176.90 3d6p n TYR 92 N 5.32 1.13 0.67 4.03 9.36 -1.26 -0.98 117.16 135.42 3d6p n TYR 92 Ca -0.05 0.72 0.13 0.00 3.32 0.00 0.00 57.90 62.02 3d6p n TYR 92 Cb 0.50 -2.24 0.44 0.00 -0.63 0.00 0.00 39.34 37.41 3d6p n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6p n PRO 93 N 1.46 0.21 -2.44 2.98 -0.04 -1.26 -4.97 135.00 130.94 3d6p n PRO 93 Ca 0.14 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.36 3d6p n PRO 93 Cb 0.26 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3d6p n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d6p n ASN 94 N -2.13 4.83 -4.72 3.54 3.02 -0.16 -4.98 115.26 114.65 3d6p n ASN 94 Ca 0.06 -2.97 -0.42 0.00 -0.03 0.00 0.00 54.58 51.22 3d6p n ASN 94 Cb 0.40 -1.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 3d6p n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d6p s ALA 96 N 0.56 0.87 0.02 0.00 0.00 -1.26 -4.96 121.76 116.99 3d6p s ALA 96 Ca 0.57 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.15 3d6p s ALA 96 Cb -0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3d6p s ALA 96 CO 0.33 0.19 -0.10 0.71 0.00 0.00 0.00 175.76 176.89 3d6p s TYR 97 N -0.10 0.87 -0.02 0.00 2.02 -1.26 -1.54 117.35 117.31 3d6p s TYR 97 Ca 0.02 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 3d6p s TYR 97 Cb -0.05 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 3d6p s TYR 97 CO -0.00 -0.01 0.52 0.15 -1.57 0.00 0.00 175.55 174.63 3d6p s LYS 98 N -0.84 4.22 -0.24 -0.62 -0.14 -0.47 -4.66 119.74 116.98 3d6p s LYS 98 Ca -0.01 0.58 -0.10 0.00 -1.36 0.00 0.00 55.97 55.08 3d6p s LYS 98 Cb -0.06 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 3d6p s LYS 98 CO 0.00 0.42 0.15 0.99 -0.76 0.00 0.00 175.35 176.15 3d6p s THR 99 N -0.29 5.26 -0.15 2.17 2.01 -1.26 -2.53 115.64 120.85 3d6p s THR 99 Ca 0.28 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 3d6p s THR 99 Cb -0.17 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 68.92 3d6p s THR 99 CO 0.15 0.35 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.48 3d6p s THR 100 N 1.08 1.08 0.31 -0.82 2.01 -0.42 -4.98 115.64 113.90 3d6p s THR 100 Ca 0.07 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 3d6p s THR 100 Cb -0.14 -1.23 -0.09 0.00 0.01 0.00 0.00 72.50 71.05 3d6p s THR 100 CO 0.05 0.18 1.04 -1.10 -0.69 0.00 0.00 174.62 174.10 3d6p s GLN 101 N 1.65 4.55 0.21 4.92 -0.21 -1.26 -0.49 119.66 129.02 3d6p s GLN 101 Ca 0.02 1.63 -0.13 0.00 0.02 0.00 0.00 55.36 56.89 3d6p s GLN 101 Cb -0.15 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.87 3d6p s GLN 101 CO -0.08 0.18 0.44 0.00 -2.12 0.00 0.00 175.29 173.71 3d6p s ALA 102 N -1.34 -0.40 -0.26 6.09 0.00 -0.29 -4.93 121.76 120.63 3d6p s ALA 102 Ca 0.48 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 3d6p s ALA 102 Cb -0.27 0.94 0.08 0.00 0.00 0.00 0.00 23.12 23.87 3d6p s ALA 102 CO 0.34 -0.78 0.06 1.21 0.00 0.00 0.00 175.76 176.59 3d6p s ASN 103 N -2.96 3.57 0.13 0.00 3.84 -1.26 -1.24 114.94 117.03 3d6p s ASN 103 Ca 0.17 -1.27 -0.06 0.00 0.21 0.00 0.00 52.86 51.91 3d6p s ASN 103 Cb 0.00 -0.79 -0.02 0.00 -0.55 0.00 0.00 41.25 39.90 3d6p s ASN 103 CO 0.03 -0.35 0.18 -0.54 -2.79 0.00 0.00 177.10 173.62 3d6p s LYS 104 N 1.70 0.98 0.25 0.43 1.02 -0.74 -4.78 119.74 118.59 3d6p s LYS 104 Ca 0.04 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 3d6p s LYS 104 Cb -0.17 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.37 3d6p s LYS 104 CO -0.17 -0.32 1.14 -1.01 -0.92 0.00 0.00 175.35 174.07 3d6p s HIS 105 N -3.96 3.50 0.13 3.18 3.76 0.31 -0.38 115.29 121.82 3d6p s HIS 105 Ca 0.15 1.60 0.02 0.00 -0.15 0.00 0.00 55.06 56.68 3d6p s HIS 105 Cb 0.05 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 3d6p s HIS 105 CO -0.03 -0.82 0.25 0.96 -0.85 0.00 0.00 174.74 174.24 3d6p s ILE 106 N -0.77 5.25 -0.11 0.60 -4.36 -1.26 -0.42 121.20 120.13 3d6p s ILE 106 Ca 0.47 -0.64 0.01 0.00 -0.26 0.00 0.00 60.65 60.23 3d6p s ILE 106 Cb -0.32 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.74 3d6p s ILE 106 CO 0.40 -0.03 -0.14 -0.63 0.24 0.00 0.00 174.94 174.79 3d6p s ILE 107 N -1.67 1.41 0.09 8.37 1.01 0.68 -0.81 121.20 130.28 3d6p s ILE 107 Ca 0.34 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3d6p s ILE 107 Cb -0.11 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3d6p s ILE 107 CO 0.28 0.43 -0.14 0.68 0.00 0.00 0.00 174.94 176.19 3d6p s VAL 108 N 1.15 1.15 0.01 2.92 -7.23 -0.35 -0.34 120.40 117.71 3d6p s VAL 108 Ca -0.04 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.47 3d6p s VAL 108 Cb -0.14 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.50 3d6p s VAL 108 CO -0.04 -0.32 0.57 0.00 -0.31 0.00 0.00 175.10 175.00 3d6p s ALA 109 N -1.67 3.53 0.01 1.32 0.00 -0.20 -0.44 121.76 124.31 3d6p s ALA 109 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.06 3d6p s ALA 109 Cb -0.08 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3d6p s ALA 109 CO 0.02 0.24 -0.21 0.00 0.00 0.00 0.00 175.76 175.81 3d6p s GLU 111 N -1.11 1.14 0.03 0.00 2.12 -0.55 -4.89 118.70 115.44 3d6p s GLU 111 Ca 0.12 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.22 3d6p s GLU 111 Cb -0.10 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3d6p s GLU 111 CO 0.02 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 3d6p n GLY 112 N 0.02 -3.60 2.80 -1.50 0.00 -1.26 -2.49 105.19 99.16 3d6p n GLY 112 Ca -0.16 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 3d6p n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6p s ASN 113 N -0.97 3.81 0.71 1.61 3.04 -1.26 -1.81 114.94 120.07 3d6p s ASN 113 Ca 0.00 -1.41 -0.15 0.00 0.04 0.00 0.00 52.86 51.35 3d6p s ASN 113 Cb 0.00 -0.94 0.03 0.00 -1.54 0.00 0.00 41.25 38.80 3d6p s ASN 113 CO 0.00 -0.35 1.16 -2.16 -3.04 0.00 0.00 177.10 172.71 3d6p s PRO 114 N 1.56 2.34 -0.69 0.43 0.04 -1.26 -5.09 135.00 132.33 3d6p s PRO 114 Ca 0.04 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 3d6p s PRO 114 Cb -0.18 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.53 3d6p s PRO 114 CO -0.16 -1.64 1.12 -0.47 0.04 0.00 0.00 177.00 175.89 3d6p s TYR 115 N -2.20 2.49 0.20 0.56 5.04 -0.75 -4.87 117.35 117.83 3d6p s TYR 115 Ca 0.70 -0.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.11 3d6p s TYR 115 Cb -0.25 -4.45 -0.05 0.00 0.35 0.00 0.00 41.96 37.57 3d6p s TYR 115 CO 0.45 -1.83 0.02 0.14 -1.34 0.00 0.00 175.55 172.99 3d6p s VAL 116 N 4.89 0.71 0.26 3.14 -7.23 -1.04 -4.83 120.40 116.30 3d6p s VAL 116 Ca 0.30 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3d6p s VAL 116 Cb -0.12 -2.28 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 3d6p s VAL 116 CO 0.14 -0.34 1.52 -2.84 -0.31 0.00 0.00 175.10 173.27 3d6p s PRO 117 N -3.93 4.20 0.00 4.82 0.02 -1.26 -1.48 135.00 137.37 3d6p s PRO 117 Ca 0.28 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3d6p s PRO 117 Cb 0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3d6p s PRO 117 CO 0.07 -0.52 0.17 1.33 -0.33 0.00 0.00 177.00 177.72 3d6p n VAL 118 N 2.44 0.00 -3.64 3.83 0.24 0.84 -4.44 118.33 117.60 3d6p n VAL 118 Ca 0.08 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.86 3d6p n VAL 118 Cb 0.39 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3d6p n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d6p s HIS 119 N -0.44 -0.80 -0.31 6.34 5.65 -1.20 -4.64 115.29 119.89 3d6p s HIS 119 Ca 0.00 1.89 -0.15 0.00 0.25 0.00 0.00 55.06 57.04 3d6p s HIS 119 Cb 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 3d6p s HIS 119 CO 0.00 -0.39 0.39 0.12 -0.65 0.00 0.00 174.74 174.21 3d6p s PHE 120 N 0.53 3.22 -0.17 3.88 2.19 -1.26 -1.04 117.98 125.33 3d6p s PHE 120 Ca -0.01 0.18 -0.15 0.00 0.33 0.00 0.00 56.93 57.27 3d6p s PHE 120 Cb -0.05 -2.67 -0.22 0.00 -1.31 0.00 0.00 43.02 38.77 3d6p s PHE 120 CO -0.02 -0.37 0.26 -3.47 1.83 0.00 0.00 175.22 173.46 3d6p n ASP 121 N 5.41 1.98 -3.60 6.13 2.03 0.54 -4.97 116.55 124.07 3d6p n ASP 121 Ca -0.08 0.33 -0.03 0.00 0.52 0.00 0.00 54.79 55.52 3d6p n ASP 121 Cb 0.50 -0.92 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 3d6p n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d6p s ALA 122 N -2.45 -2.06 0.02 -1.67 0.00 -1.07 -4.96 121.76 109.57 3d6p s ALA 122 Ca -0.26 1.21 0.07 0.00 0.00 0.00 0.00 51.96 52.97 3d6p s ALA 122 Cb 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3d6p s ALA 122 CO 0.66 -0.75 -0.19 -1.54 0.00 0.00 0.00 175.76 173.94 3d6p s SER 123 N -2.47 3.68 0.00 0.00 1.04 -1.26 -0.23 113.70 114.46 3d6p s SER 123 Ca 0.10 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3d6p s SER 123 Cb 0.01 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.54 3d6p s SER 123 CO -0.05 0.28 0.11 1.33 0.98 0.00 0.00 173.24 175.90