#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 0.00 -1.29 -1.58 2.13 -1.26 -5.13 120.64 113.51 3d6p n GLU 2 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 3d6p n GLU 2 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 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 0.00 2.78 0.19 6.31 -4.23 -1.26 -4.81 115.64 114.62 3d6p s THR 3 Ca 0.00 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3d6p s THR 3 Cb 0.00 -2.80 0.12 0.00 1.34 0.00 0.00 72.50 71.17 3d6p s THR 3 CO 0.00 -0.33 1.80 0.00 -0.54 0.00 0.00 174.62 175.55 3d6p h ALA 4 N -1.43 0.89 -0.40 3.99 0.00 -1.97 -0.20 119.26 120.16 3d6p h ALA 4 Ca -0.49 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3d6p h ALA 4 Cb 1.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3d6p h ALA 4 CO 0.55 0.43 0.23 0.00 0.00 0.00 0.00 179.25 180.46 3d6p h ALA 5 N 1.18 0.50 -0.71 0.00 0.00 -1.91 -0.81 119.26 117.52 3d6p h ALA 5 Ca 0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3d6p h ALA 5 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3d6p h ALA 5 CO -0.04 -0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.37 3d6p h ALA 6 N 1.18 1.14 -0.44 0.00 0.00 -1.83 -1.70 119.26 117.61 3d6p h ALA 6 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3d6p h ALA 6 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3d6p h ALA 6 CO -0.08 0.61 0.15 -0.22 0.00 0.00 0.00 179.25 179.71 3d6p h LYS 7 N 1.03 0.68 -0.51 0.00 3.64 -0.69 -0.22 116.57 120.50 3d6p h LYS 7 Ca 0.24 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3d6p h LYS 7 Cb 0.22 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3d6p h LYS 7 CO -0.02 0.66 0.22 0.35 -2.27 0.00 0.00 179.45 178.39 3d6p h PHE 8 N 0.58 0.40 -0.87 1.91 3.04 -0.91 0.35 116.94 121.43 3d6p h PHE 8 Ca 0.14 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 3d6p h PHE 8 Cb 0.25 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 3d6p h PHE 8 CO 0.01 0.16 0.50 0.93 -2.02 0.00 0.00 178.31 177.89 3d6p h GLU 9 N 0.43 1.20 -0.41 1.11 5.08 -0.82 0.11 114.58 121.28 3d6p h GLU 9 Ca 0.24 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3d6p h GLU 9 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3d6p h GLU 9 CO -0.21 0.86 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.31 3d6p h ARG 10 N 1.20 0.89 0.00 2.33 2.43 -0.49 -2.15 114.38 118.60 3d6p h ARG 10 Ca 0.31 -0.42 -0.21 0.00 -0.81 0.00 0.00 59.98 58.85 3d6p h ARG 10 Cb -0.01 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3d6p h ARG 10 CO -0.05 1.07 -1.00 1.96 -1.51 0.00 0.00 179.97 180.44 3d6p h GLN 11 N 0.71 0.00 0.00 0.20 4.20 -0.76 -3.42 115.11 116.05 3d6p h GLN 11 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3d6p h GLN 11 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3d6p h GLN 11 CO 0.07 0.97 0.00 0.72 -0.67 0.00 0.00 178.83 179.92 3d6p n HIS 12 N -3.34 0.00 -4.06 2.96 8.25 0.37 -4.69 115.22 114.71 3d6p n HIS 12 Ca -0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 3d6p n HIS 12 Cb 0.94 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.47 3.90 -0.42 -0.41 -1.94 -0.81 -0.33 119.30 118.82 3d6p s MET 13 Ca 0.00 -0.38 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 3d6p s MET 13 Cb 0.00 -3.17 0.21 0.00 2.01 0.00 0.00 34.83 33.88 3d6p s MET 13 CO 0.00 0.24 0.50 -3.47 -0.01 0.00 0.00 175.02 172.28 3d6p n ASP 14 N 3.63 -0.70 0.27 3.03 2.03 -0.09 -4.83 116.55 119.89 3d6p n ASP 14 Ca -0.17 -2.65 0.17 0.00 0.52 0.00 0.00 54.79 52.67 3d6p n ASP 14 Cb 0.52 -0.16 0.72 0.00 -0.72 0.00 0.00 41.12 41.49 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 4.72 0.00 0.71 1.67 0.02 -1.75 -3.27 113.55 115.66 3d6p h SER 15 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3d6p h SER 15 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3d6p h SER 15 CO 0.37 0.00 -0.04 0.28 -1.14 0.00 0.00 176.83 176.30 3d6p h SER 16 N 0.00 0.00 -3.69 3.07 0.02 -1.92 -3.42 113.55 107.62 3d6p h SER 16 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3d6p h SER 16 Cb 0.44 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.69 3d6p h SER 16 CO 0.00 0.04 -0.83 0.42 -1.14 0.00 0.00 176.83 175.32 3d6p s THR 17 N -3.84 2.49 -0.08 -2.27 -4.23 -1.23 -5.05 115.64 101.42 3d6p s THR 17 Ca -0.01 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.35 3d6p s THR 17 Cb 0.10 -1.97 -0.21 0.00 1.34 0.00 0.00 72.50 71.76 3d6p s THR 17 CO 0.53 0.56 0.93 0.28 -0.54 0.00 0.00 174.62 176.38 3d6p h SER 18 N 6.26 -0.03 0.00 3.99 0.02 -1.88 -3.43 113.55 118.48 3d6p h SER 18 Ca -0.30 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 3d6p h SER 18 Cb 1.20 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3d6p h SER 18 CO 0.50 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 176.89 3d6p n ALA 19 N -2.52 0.00 -1.88 3.77 0.00 -1.26 -4.83 120.51 113.79 3d6p n ALA 19 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 3d6p n ALA 19 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.82 3d6p n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d6p n ALA 20 N 0.00 2.07 -1.50 0.00 0.00 -1.26 -5.09 120.51 114.73 3d6p n ALA 20 Ca 0.00 -1.32 -0.56 0.00 0.00 0.00 0.00 53.44 51.56 3d6p n ALA 20 Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 3d6p n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d6p n SER 21 N -0.20 1.80 -4.57 0.00 7.64 -1.26 -4.93 113.62 112.09 3d6p n SER 21 Ca 0.03 0.74 -0.29 0.00 1.01 0.00 0.00 58.87 60.36 3d6p n SER 21 Cb 0.71 -1.11 0.17 0.00 -1.01 0.00 0.00 64.21 62.98 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 5.54 2.64 0.49 6.43 1.04 -1.26 -4.86 113.70 123.72 3d6p s SER 22 Ca 1.09 0.98 0.33 0.00 0.48 0.00 0.00 55.95 58.83 3d6p s SER 22 Cb -1.13 -1.53 1.71 0.00 0.10 0.00 0.00 66.02 65.17 3d6p s SER 22 CO 0.61 -3.10 2.01 0.77 0.98 0.00 0.00 173.24 174.52 3d6p h SER 23 N -1.87 0.00 1.00 7.02 4.64 -1.91 -0.74 113.55 121.68 3d6p h SER 23 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3d6p h SER 23 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3d6p h SER 23 CO 0.55 0.00 -0.37 0.59 -0.87 0.00 0.00 176.83 176.73 3d6p n ASN 24 N -2.72 0.63 0.15 4.97 3.02 -1.26 -4.60 115.26 115.45 3d6p n ASN 24 Ca -0.01 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.63 3d6p n ASN 24 Cb 0.11 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 3d6p n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d6p h TYR 25 N 0.00 -1.06 -0.72 3.10 3.20 -1.46 -1.87 116.97 118.16 3d6p h TYR 25 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3d6p h TYR 25 Cb 0.68 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 3d6p h TYR 25 CO 0.00 -0.50 0.41 0.00 -1.64 0.00 0.00 178.16 176.43 3d6p h ASN 27 N 0.99 0.33 -0.05 0.00 2.35 -1.72 0.23 115.58 117.71 3d6p h ASN 27 Ca 0.26 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.97 3d6p h ASN 27 Cb 0.01 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3d6p h ASN 27 CO -0.04 0.16 -0.43 1.56 -1.65 0.00 0.00 177.43 177.03 3d6p h GLN 28 N 0.49 0.38 -0.19 0.81 4.20 -0.78 -3.28 115.11 116.74 3d6p h GLN 28 Ca 0.37 -0.34 -0.21 0.00 0.06 0.00 0.00 58.65 58.53 3d6p h GLN 28 Cb 0.49 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.36 3d6p h GLN 28 CO -0.34 1.00 -0.71 0.52 -0.67 0.00 0.00 178.83 178.63 3d6p h MET 29 N -0.12 0.81 -0.99 1.46 2.86 -0.50 -0.19 114.93 118.25 3d6p h MET 29 Ca -0.04 -0.62 0.02 0.00 -2.06 0.00 0.00 59.70 57.00 3d6p h MET 29 Cb 1.11 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 3d6p h MET 29 CO 0.09 1.23 0.65 0.52 1.06 0.00 0.00 176.91 180.46 3d6p h MET 30 N 0.57 1.28 0.16 1.72 2.86 -1.11 -1.12 114.93 119.30 3d6p h MET 30 Ca -0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3d6p h MET 30 Cb 1.34 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3d6p h MET 30 CO 0.15 0.85 -0.08 -0.22 1.06 0.00 0.00 176.91 178.67 3d6p h LYS 31 N 1.32 -0.21 0.00 1.72 3.64 -1.59 -0.35 116.57 121.09 3d6p h LYS 31 Ca 0.37 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3d6p h LYS 31 Cb -0.11 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3d6p h LYS 31 CO -0.09 0.17 -0.15 0.66 -2.27 0.00 0.00 179.45 177.76 3d6p h SER 32 N -0.66 0.00 -0.47 4.20 4.64 -0.86 -0.76 113.55 119.63 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 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3d6p h SER 32 CO 0.04 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 3d6p n ARG 33 N -4.09 2.13 -2.71 4.77 5.12 -0.44 -4.94 116.66 116.51 3d6p n ARG 33 Ca -0.02 -1.76 -0.14 0.00 -1.93 0.00 0.00 57.85 54.00 3d6p n ARG 33 Cb 0.23 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 30.16 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 0.93 -4.50 -1.12 0.55 3.02 -0.29 -4.81 115.26 109.04 3d6p n ASN 34 Ca 0.17 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 3d6p n ASN 34 Cb 0.42 -3.40 0.23 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.64 3.33 -0.18 3.41 4.77 -0.14 -4.17 117.00 121.38 3d6p n LEU 35 Ca -0.08 -1.44 0.06 0.00 -0.03 0.00 0.00 56.01 54.52 3d6p n LEU 35 Cb 0.58 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3d6p n LEU 35 CO 0.30 0.72 0.47 0.35 -1.33 0.00 0.00 177.39 177.90 3d6p n THR 36 N 1.41 1.27 -0.04 -5.08 -2.24 -1.21 -2.54 114.28 105.85 3d6p n THR 36 Ca 0.19 -1.52 -0.12 0.00 -2.27 0.00 0.00 64.05 60.33 3d6p n THR 36 Cb 0.59 0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 3d6p n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d6p h LYS 37 N 0.00 -0.02 0.00 -0.78 3.64 -1.91 -3.39 116.57 114.11 3d6p h LYS 37 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3d6p h LYS 37 Cb 1.07 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3d6p h LYS 37 CO 0.00 0.73 -1.87 -0.25 -2.27 0.00 0.00 179.45 175.78 3d6p n ASP 38 N -4.71 0.62 -3.59 4.20 8.00 -1.26 -5.01 116.55 114.80 3d6p n ASP 38 Ca -0.09 0.29 -0.06 0.00 0.71 0.00 0.00 54.79 55.65 3d6p n ASP 38 Cb 0.37 0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3d6p n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d6p s ARG 39 N -2.61 1.60 -0.48 -1.24 1.70 -1.26 -5.10 118.95 111.56 3d6p s ARG 39 Ca -0.06 -0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 53.98 3d6p s ARG 39 Cb 0.08 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 3d6p s ARG 39 CO 0.83 -0.74 1.13 0.00 -1.08 0.00 0.00 175.30 175.44 3d6p s LYS 41 N 4.43 4.15 0.16 0.00 2.20 -1.05 -4.89 119.74 124.73 3d6p s LYS 41 Ca 0.48 2.54 -0.12 0.00 -0.36 0.00 0.00 55.97 58.51 3d6p s LYS 41 Cb -0.07 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 3d6p s LYS 41 CO 0.31 -0.87 1.61 -1.35 -0.36 0.00 0.00 175.35 174.70 3d6p h PRO 42 N 9.29 0.91 -3.52 4.03 0.11 -1.93 -3.43 132.00 137.46 3d6p h PRO 42 Ca -0.46 -0.29 -0.29 0.00 0.11 0.00 0.00 66.00 65.07 3d6p h PRO 42 Cb 1.22 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.91 3d6p h PRO 42 CO 0.94 0.94 -0.72 0.08 -0.21 0.00 0.00 178.00 179.03 3d6p s VAL 43 N -5.02 -0.05 -0.16 3.15 1.01 -1.26 -1.02 120.40 117.04 3d6p s VAL 43 Ca -0.12 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3d6p s VAL 43 Cb 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.46 3d6p s VAL 43 CO 0.83 0.08 0.42 0.21 0.00 0.00 0.00 175.10 176.64 3d6p s ASN 44 N 0.99 -0.47 -0.09 3.32 2.47 -0.49 -5.01 114.94 115.66 3d6p s ASN 44 Ca -0.08 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.07 3d6p s ASN 44 Cb -0.12 0.84 -0.03 0.00 -1.45 0.00 0.00 41.25 40.50 3d6p s ASN 44 CO -0.03 -0.16 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.21 3d6p s THR 45 N 0.58 3.46 -0.10 -5.21 2.01 -1.26 -0.61 115.64 114.50 3d6p s THR 45 Ca -0.03 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 3d6p s THR 45 Cb -0.05 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3d6p s THR 45 CO -0.03 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.06 3d6p s PHE 46 N -0.34 3.02 -0.19 4.92 0.08 0.07 -4.36 117.98 121.18 3d6p s PHE 46 Ca 0.04 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 3d6p s PHE 46 Cb -0.13 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3d6p s PHE 46 CO 0.02 0.23 -0.00 0.08 -0.10 0.00 0.00 175.22 175.45 3d6p s VAL 47 N -0.40 4.00 -0.90 -0.44 1.01 0.55 -0.44 120.40 123.78 3d6p s VAL 47 Ca 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3d6p s VAL 47 Cb -0.12 -2.80 0.33 0.00 0.00 0.00 0.00 36.38 33.79 3d6p s VAL 47 CO 0.02 0.44 1.58 1.41 0.00 0.00 0.00 175.10 178.55 3d6p n HIS 48 N 4.06 3.14 -4.40 5.22 -0.00 0.40 -0.91 115.22 122.73 3d6p n HIS 48 Ca -0.17 -2.97 -0.20 0.00 -0.00 0.00 0.00 57.72 54.38 3d6p n HIS 48 Cb 0.52 -1.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.41 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 -4.09 1.56 0.65 -0.41 0.41 -1.26 -4.48 118.70 111.08 3d6p s GLU 49 Ca 0.42 -1.86 -0.17 0.00 -0.41 0.00 0.00 54.97 52.95 3d6p s GLU 49 Cb 0.22 -0.65 -0.00 0.00 -1.78 0.00 0.00 34.13 31.91 3d6p s GLU 49 CO -0.13 -0.22 1.19 -1.54 -0.49 0.00 0.00 175.26 174.07 3d6p s SER 50 N -3.42 4.81 0.24 -0.19 1.04 -1.26 -4.30 113.70 110.62 3d6p s SER 50 Ca 0.37 2.32 -0.05 0.00 0.48 0.00 0.00 55.95 59.07 3d6p s SER 50 Cb 0.08 -2.59 0.40 0.00 0.10 0.00 0.00 66.02 64.02 3d6p s SER 50 CO 0.15 -1.85 1.79 0.25 0.98 0.00 0.00 173.24 174.56 3d6p h LEU 51 N 0.32 0.57 -0.82 2.42 5.85 -1.99 -1.72 115.31 119.94 3d6p h LEU 51 Ca -0.49 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3d6p h LEU 51 Cb 1.29 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3d6p h LEU 51 CO 0.53 0.31 0.52 0.00 -0.34 0.00 0.00 178.44 179.46 3d6p h ALA 52 N 1.47 1.08 -0.57 1.25 0.00 -1.99 0.13 119.26 120.63 3d6p h ALA 52 Ca 0.39 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3d6p h ALA 52 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3d6p h ALA 52 CO -0.28 0.34 -0.04 -0.44 0.00 0.00 0.00 179.25 178.83 3d6p h ASP 53 N 1.01 1.01 -0.20 0.00 3.32 -1.73 -0.53 116.42 119.31 3d6p h ASP 53 Ca 0.33 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3d6p h ASP 53 Cb 0.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3d6p h ASP 53 CO -0.12 1.08 -0.42 0.58 -1.72 0.00 0.00 179.24 178.65 3d6p h VAL 54 N 0.93 1.33 -0.71 -1.35 2.07 -0.99 -3.01 116.25 114.51 3d6p h VAL 54 Ca 0.16 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 66.08 3d6p h VAL 54 Cb 0.60 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3d6p h VAL 54 CO 0.04 0.51 0.47 1.56 0.02 0.00 0.00 177.57 180.17 3d6p h GLN 55 N 0.31 0.75 0.00 1.57 4.20 -0.61 -1.67 115.11 119.66 3d6p h GLN 55 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3d6p h GLN 55 Cb 1.02 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3d6p h GLN 55 CO 0.09 0.50 -0.03 0.00 -0.67 0.00 0.00 178.83 178.72 3d6p h ALA 56 N 1.61 1.24 0.00 3.87 0.00 -0.95 -2.38 119.26 122.65 3d6p h ALA 56 Ca 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3d6p h ALA 56 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3d6p h ALA 56 CO -0.09 0.03 -0.01 0.28 0.00 0.00 0.00 179.25 179.46 3d6p h VAL 57 N 0.00 0.64 0.00 0.00 2.07 -1.29 -1.65 116.25 116.01 3d6p h VAL 57 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3d6p h VAL 57 Cb 0.11 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3d6p h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3d6p n SER 59 N -1.50 2.67 0.00 0.00 3.41 -0.62 -5.00 113.62 112.59 3d6p n SER 59 Ca 0.02 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3d6p n SER 59 Cb 0.12 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.74 2.18 -2.65 4.33 6.02 -0.15 -4.99 117.38 122.86 3d6p n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 3d6p n GLN 60 Cb 0.41 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.64 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 3.89 3.88 -0.02 -1.09 2.20 -0.94 -4.86 119.74 122.80 3d6p s LYS 61 Ca 0.00 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 3d6p s LYS 61 Cb 0.00 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 3d6p s LYS 61 CO 0.00 -1.12 1.38 1.21 -0.36 0.00 0.00 175.35 176.46 3d6p s ASN 62 N 2.05 6.87 0.11 1.43 3.04 -1.26 0.01 114.94 127.19 3d6p s ASN 62 Ca 0.45 2.06 0.03 0.00 0.04 0.00 0.00 52.86 55.44 3d6p s ASN 62 Cb -0.10 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 3d6p s ASN 62 CO 0.23 -0.71 -0.08 0.68 -3.04 0.00 0.00 177.10 174.18 3d6p s VAL 63 N 2.50 0.87 0.27 -5.21 -7.23 -0.03 -4.93 120.40 106.64 3d6p s VAL 63 Ca 0.63 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 3d6p s VAL 63 Cb -0.30 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 3d6p s VAL 63 CO 0.25 -0.80 1.33 0.00 -0.31 0.00 0.00 175.10 175.57 3d6p s ALA 64 N -3.40 3.54 0.62 1.32 0.00 -1.26 -3.17 121.76 119.40 3d6p s ALA 64 Ca 0.13 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 3d6p s ALA 64 Cb 0.04 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3d6p s ALA 64 CO -0.03 -0.61 1.06 0.00 0.00 0.00 0.00 175.76 176.19 3d6p h LYS 66 N 0.21 0.25 -0.03 0.00 1.57 -1.92 0.13 116.57 116.78 3d6p h LYS 66 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3d6p h LYS 66 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3d6p h LYS 66 CO 0.57 0.17 0.00 0.27 -0.57 0.00 0.00 179.45 179.89 3d6p n ASN 67 N -4.44 0.66 0.00 0.86 0.23 -1.26 -4.90 115.26 106.41 3d6p n ASN 67 Ca 0.12 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 3d6p n ASN 67 Cb 0.54 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 1.03 1.06 3.76 4.83 0.00 0.03 -5.06 105.19 110.84 3d6p n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.60 2.03 -0.00 1.61 -0.21 -1.26 -4.77 119.66 116.45 3d6p s GLN 69 Ca 0.00 1.09 0.14 0.00 0.02 0.00 0.00 55.36 56.61 3d6p s GLN 69 Cb 0.00 -1.88 0.41 0.00 1.00 0.00 0.00 33.01 32.55 3d6p s GLN 69 CO 0.00 -1.78 1.34 0.25 -2.12 0.00 0.00 175.29 172.99 3d6p n THR 70 N -3.60 1.03 -1.26 -0.19 -2.24 -1.26 -0.86 114.28 105.89 3d6p n THR 70 Ca 0.09 -1.02 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 3d6p n THR 70 Cb 0.53 0.48 0.13 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.83 5.74 -4.83 3.42 6.94 -1.26 -4.75 115.26 121.35 3d6p n ASN 71 Ca 0.16 -3.69 -0.28 0.00 -0.02 0.00 0.00 54.58 50.76 3d6p n ASN 71 Cb 0.50 -0.91 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 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 -0.04 -0.14 0.00 1.51 0.31 -0.85 117.35 116.51 3d6p s TYR 73 Ca 0.31 0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 56.50 3d6p s TYR 73 Cb -0.11 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.62 3d6p s TYR 73 CO 0.24 -0.07 0.02 -1.14 -1.11 0.00 0.00 175.55 173.49 3d6p s GLN 74 N 0.55 3.55 0.30 -0.62 0.74 0.10 -1.21 119.66 123.07 3d6p s GLN 74 Ca -0.04 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 3d6p s GLN 74 Cb -0.06 -2.99 -0.10 0.00 1.10 0.00 0.00 33.01 30.96 3d6p s GLN 74 CO -0.02 0.43 1.33 -1.54 -0.55 0.00 0.00 175.29 174.94 3d6p s SER 75 N -0.11 6.77 0.24 6.67 1.04 -0.30 -2.22 113.70 125.79 3d6p s SER 75 Ca 0.05 2.66 0.04 0.00 0.48 0.00 0.00 55.95 59.18 3d6p s SER 75 Cb -0.12 -2.64 0.28 0.00 0.10 0.00 0.00 66.02 63.63 3d6p s SER 75 CO 0.02 -0.56 1.58 1.88 0.98 0.00 0.00 173.24 177.14 3d6p h TYR 76 N 3.86 0.33 -2.44 5.02 0.05 -1.96 -3.43 116.97 118.39 3d6p h TYR 76 Ca -0.48 -0.12 -0.52 0.00 0.05 0.00 0.00 58.73 57.66 3d6p h TYR 76 Cb 1.22 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.87 3d6p h TYR 76 CO 0.57 0.76 -0.48 -1.12 -1.05 0.00 0.00 178.16 176.85 3d6p s SER 77 N -6.89 6.11 0.57 3.88 0.01 -1.26 -5.06 113.70 111.05 3d6p s SER 77 Ca -0.04 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 3d6p s SER 77 Cb 0.12 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 3d6p s SER 77 CO 0.80 0.01 1.06 0.42 0.41 0.00 0.00 173.24 175.94 3d6p s THR 78 N -1.85 3.69 0.09 1.44 -4.23 -1.26 -4.54 115.64 108.97 3d6p s THR 78 Ca 0.34 0.88 0.07 0.00 -1.18 0.00 0.00 61.69 61.79 3d6p s THR 78 Cb -0.10 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 3d6p s THR 78 CO 0.27 -0.40 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.73 3d6p s MET 79 N -3.82 1.01 -0.08 3.99 -1.94 0.94 -4.85 119.30 114.55 3d6p s MET 79 Ca 0.66 -1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 3d6p s MET 79 Cb -0.17 -1.17 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 3d6p s MET 79 CO 0.33 0.27 1.27 0.45 -0.01 0.00 0.00 175.02 177.32 3d6p s SER 80 N -1.79 6.97 0.10 3.03 0.15 -1.26 -1.76 113.70 119.14 3d6p s SER 80 Ca 0.03 1.85 0.02 0.00 0.70 0.00 0.00 55.95 58.54 3d6p s SER 80 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 3d6p s SER 80 CO 0.03 -0.67 -0.07 0.27 1.20 0.00 0.00 173.24 174.01 3d6p s ILE 81 N 2.68 0.70 -0.11 6.45 -4.36 -0.31 -0.45 121.20 125.79 3d6p s ILE 81 Ca 0.58 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.06 3d6p s ILE 81 Cb -0.25 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.81 3d6p s ILE 81 CO 0.21 -0.86 -0.15 -0.89 0.24 0.00 0.00 174.94 173.48 3d6p s THR 82 N -3.58 1.51 -0.09 8.37 2.01 0.41 -1.22 115.64 123.05 3d6p s THR 82 Ca 0.12 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 3d6p s THR 82 Cb 0.05 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 3d6p s THR 82 CO -0.05 0.44 0.34 -1.81 -0.69 0.00 0.00 174.62 172.85 3d6p s ASP 83 N 1.01 6.60 -0.18 3.53 1.01 0.77 -0.75 116.67 128.65 3d6p s ASP 83 Ca -0.06 0.71 -0.02 0.00 0.71 0.00 0.00 52.55 53.89 3d6p s ASP 83 Cb -0.15 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 3d6p s ASP 83 CO -0.02 0.22 -0.09 0.00 0.21 0.00 0.00 175.17 175.49 3d6p s ARG 85 N 1.08 1.61 0.23 0.00 3.52 -1.00 -1.39 118.95 122.99 3d6p s ARG 85 Ca 0.00 -0.31 -0.32 0.00 -0.13 0.00 0.00 55.73 54.98 3d6p s ARG 85 Cb -0.15 -1.56 -0.12 0.00 -1.56 0.00 0.00 34.95 31.56 3d6p s ARG 85 CO -0.02 -0.19 1.67 -1.91 -0.81 0.00 0.00 175.30 174.04 3d6p n GLU 86 N 4.64 2.69 -1.34 5.12 2.13 -0.19 -0.86 120.64 132.83 3d6p n GLU 86 Ca -0.15 0.96 -0.31 0.00 0.66 0.00 0.00 57.16 58.32 3d6p n GLU 86 Cb 0.50 -2.78 0.08 0.00 0.27 0.00 0.00 31.44 29.52 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 0.75 3.42 0.45 6.31 -4.23 -0.27 -4.85 115.64 117.22 3d6p s THR 87 Ca 0.72 0.47 0.18 0.00 -1.18 0.00 0.00 61.69 61.88 3d6p s THR 87 Cb -0.52 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.54 3d6p s THR 87 CO 0.38 -0.59 2.02 1.23 -0.54 0.00 0.00 174.62 177.13 3d6p h GLY 88 N -0.99 0.00 -1.88 3.99 0.00 -1.93 -2.93 103.07 99.33 3d6p h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3d6p h GLY 88 CO 0.52 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 3d6p n SER 89 N -4.17 2.97 -4.70 0.19 3.41 -1.26 -4.95 113.62 105.10 3d6p n SER 89 Ca -0.02 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.22 3d6p n SER 89 Cb 0.23 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.78 6.44 -0.14 4.04 0.15 -1.11 -5.00 113.70 116.29 3d6p s SER 90 Ca 0.28 2.76 -0.01 0.00 0.70 0.00 0.00 55.95 59.68 3d6p s SER 90 Cb 0.19 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3d6p s SER 90 CO 0.28 -0.96 -0.02 -0.54 1.20 0.00 0.00 173.24 173.20 3d6p s LYS 91 N 1.98 1.06 0.27 5.44 -0.14 -1.24 -4.90 119.74 122.21 3d6p s LYS 91 Ca 0.77 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 54.78 3d6p s LYS 91 Cb -0.47 -1.74 -0.14 0.00 -1.68 0.00 0.00 37.83 33.80 3d6p s LYS 91 CO 0.34 -0.43 0.98 0.98 -0.76 0.00 0.00 175.35 176.45 3d6p n TYR 92 N 4.99 1.10 1.86 3.18 9.36 -1.26 -0.74 117.16 135.64 3d6p n TYR 92 Ca -0.10 0.73 0.14 0.00 3.32 0.00 0.00 57.90 61.99 3d6p n TYR 92 Cb 0.48 -2.22 0.75 0.00 -0.63 0.00 0.00 39.34 37.72 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 0.87 1.17 -2.43 2.98 -0.04 -1.26 -4.96 135.00 131.32 3d6p n PRO 93 Ca 0.11 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 3d6p n PRO 93 Cb 0.30 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.65 6.39 -4.72 3.54 5.03 0.08 -5.00 115.26 119.94 3d6p n ASN 94 Ca 0.20 -3.25 -0.42 0.00 0.87 0.00 0.00 54.58 51.98 3d6p n ASN 94 Cb 0.16 -1.37 -0.03 0.00 -1.02 0.00 0.00 39.78 37.52 3d6p n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d6p s ALA 96 N 1.11 1.83 0.03 0.00 0.00 -1.26 -4.90 121.76 118.56 3d6p s ALA 96 Ca 0.67 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.69 3d6p s ALA 96 Cb -0.41 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 3d6p s ALA 96 CO 0.31 0.44 -0.07 0.71 0.00 0.00 0.00 175.76 177.15 3d6p s TYR 97 N -0.55 0.60 -0.03 0.00 1.51 -1.26 -1.11 117.35 116.51 3d6p s TYR 97 Ca 0.08 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 3d6p s TYR 97 Cb -0.08 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.35 3d6p s TYR 97 CO -0.01 -0.06 0.64 0.21 -1.11 0.00 0.00 175.55 175.23 3d6p s LYS 98 N -1.04 4.39 -0.28 -0.62 2.20 -0.04 -4.60 119.74 119.74 3d6p s LYS 98 Ca -0.06 0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 56.25 3d6p s LYS 98 Cb -0.07 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3d6p s LYS 98 CO 0.00 0.23 0.16 0.99 -0.36 0.00 0.00 175.35 176.37 3d6p s THR 99 N 0.27 5.02 -0.11 3.43 2.01 -1.26 -2.38 115.64 122.62 3d6p s THR 99 Ca 0.34 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 3d6p s THR 99 Cb -0.18 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.96 3d6p s THR 99 CO 0.17 0.25 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.43 3d6p s THR 100 N 1.72 0.79 0.28 -0.82 2.01 -0.62 -4.93 115.64 114.06 3d6p s THR 100 Ca 0.07 -0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 3d6p s THR 100 Cb -0.16 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.35 3d6p s THR 100 CO 0.09 0.25 0.86 -1.58 -0.69 0.00 0.00 174.62 173.55 3d6p s GLN 101 N 1.80 4.46 0.17 4.92 2.00 -1.26 -0.16 119.66 131.58 3d6p s GLN 101 Ca 0.04 1.16 -0.11 0.00 -2.00 0.00 0.00 55.36 54.45 3d6p s GLN 101 Cb -0.13 -2.84 -0.00 0.00 0.80 0.00 0.00 33.01 30.84 3d6p s GLN 101 CO -0.07 0.33 0.33 0.00 -0.50 0.00 0.00 175.29 175.38 3d6p s ALA 102 N -1.57 -0.20 -0.27 1.58 0.00 -0.36 -4.95 121.76 115.98 3d6p s ALA 102 Ca 0.47 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3d6p s ALA 102 Cb -0.18 0.85 0.08 0.00 0.00 0.00 0.00 23.12 23.87 3d6p s ALA 102 CO 0.23 -0.68 -0.01 -0.80 0.00 0.00 0.00 175.76 174.50 3d6p s ASN 103 N -2.95 4.14 0.11 0.00 0.01 -1.26 -1.17 114.94 113.83 3d6p s ASN 103 Ca 0.15 -1.50 -0.06 0.00 -0.71 0.00 0.00 52.86 50.74 3d6p s ASN 103 Cb 0.02 -1.25 -0.02 0.00 0.41 0.00 0.00 41.25 40.41 3d6p s ASN 103 CO -0.01 -0.30 0.16 -0.54 -1.51 0.00 0.00 177.10 174.91 3d6p s LYS 104 N 1.30 0.93 0.14 -0.60 1.02 -0.72 -4.80 119.74 117.00 3d6p s LYS 104 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 3d6p s LYS 104 Cb -0.19 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.37 3d6p s LYS 104 CO -0.10 -0.29 1.05 -1.01 -0.92 0.00 0.00 175.35 174.08 3d6p s HIS 105 N -3.94 3.67 0.16 3.18 3.76 -0.36 -0.04 115.29 121.72 3d6p s HIS 105 Ca 0.13 1.66 -0.02 0.00 -0.15 0.00 0.00 55.06 56.68 3d6p s HIS 105 Cb 0.05 -3.20 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 3d6p s HIS 105 CO -0.05 -0.33 0.35 0.96 -0.85 0.00 0.00 174.74 174.82 3d6p s ILE 106 N -0.03 5.23 -0.15 0.60 -4.36 -1.26 -0.66 121.20 120.56 3d6p s ILE 106 Ca 0.49 -0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.65 3d6p s ILE 106 Cb -0.27 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 39.78 3d6p s ILE 106 CO 0.32 -0.05 -0.17 -0.63 0.24 0.00 0.00 174.94 174.66 3d6p s ILE 107 N -1.73 1.73 0.13 8.37 1.01 0.70 -1.15 121.20 130.26 3d6p s ILE 107 Ca 0.39 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3d6p s ILE 107 Cb -0.12 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3d6p s ILE 107 CO 0.27 0.48 -0.19 0.68 0.00 0.00 0.00 174.94 176.19 3d6p s VAL 108 N 1.28 1.71 -0.08 2.92 -7.23 -0.35 -0.38 120.40 118.26 3d6p s VAL 108 Ca 0.02 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3d6p s VAL 108 Cb -0.14 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 3d6p s VAL 108 CO -0.09 -0.23 0.34 0.00 -0.31 0.00 0.00 175.10 174.82 3d6p s ALA 109 N -1.70 3.67 0.01 1.32 0.00 -0.09 -0.53 121.76 124.44 3d6p s ALA 109 Ca 0.11 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.79 3d6p s ALA 109 Cb -0.07 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3d6p s ALA 109 CO 0.05 0.32 -0.21 0.00 0.00 0.00 0.00 175.76 175.92 3d6p s GLU 111 N -1.02 0.92 0.00 0.00 2.02 -0.73 -4.90 118.70 115.00 3d6p s GLU 111 Ca 0.12 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3d6p s GLU 111 Cb -0.10 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3d6p s GLU 111 CO 0.02 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.39 3d6p n GLY 112 N -0.11 0.05 2.83 -1.39 0.00 -1.26 -2.14 105.19 103.18 3d6p n GLY 112 Ca -0.14 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.60 3.58 0.73 1.61 2.47 -1.26 -2.49 114.94 118.98 3d6p s ASN 113 Ca 0.00 -1.17 -0.13 0.00 0.42 0.00 0.00 52.86 51.98 3d6p s ASN 113 Cb 0.00 -0.93 0.03 0.00 -1.45 0.00 0.00 41.25 38.91 3d6p s ASN 113 CO 0.00 -0.30 1.11 -2.16 -3.72 0.00 0.00 177.10 172.04 3d6p s PRO 114 N 1.59 2.41 -0.57 0.43 0.04 -1.26 -5.09 135.00 132.54 3d6p s PRO 114 Ca -0.01 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 3d6p s PRO 114 Cb -0.18 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3d6p s PRO 114 CO -0.10 -1.55 1.12 -0.47 0.04 0.00 0.00 177.00 176.03 3d6p s TYR 115 N -2.53 2.67 0.15 0.56 5.04 -1.04 -4.88 117.35 117.33 3d6p s TYR 115 Ca 0.65 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 3d6p s TYR 115 Cb -0.20 -4.38 -0.05 0.00 0.35 0.00 0.00 41.96 37.68 3d6p s TYR 115 CO 0.48 -1.50 -0.05 0.14 -1.34 0.00 0.00 175.55 173.28 3d6p s VAL 116 N 4.64 0.89 0.22 3.14 -7.23 -0.91 -4.88 120.40 116.27 3d6p s VAL 116 Ca 0.39 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 3d6p s VAL 116 Cb -0.09 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 3d6p s VAL 116 CO 0.24 -0.64 1.53 -2.84 -0.31 0.00 0.00 175.10 173.08 3d6p s PRO 117 N -3.84 4.21 0.00 4.82 0.02 -1.26 -1.78 135.00 137.18 3d6p s PRO 117 Ca 0.19 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3d6p s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3d6p s PRO 117 CO 0.01 -0.55 0.00 1.33 -0.33 0.00 0.00 177.00 177.47 3d6p n VAL 118 N 3.02 0.00 -3.85 3.83 0.24 0.46 -4.48 118.33 117.55 3d6p n VAL 118 Ca 0.10 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 3d6p n VAL 118 Cb 0.39 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.34 3d6p n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3d6p s HIS 119 N -1.40 -0.03 -0.32 6.34 3.76 -1.12 -4.56 115.29 117.96 3d6p s HIS 119 Ca 0.00 0.05 -0.14 0.00 -0.15 0.00 0.00 55.06 54.82 3d6p s HIS 119 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.66 3d6p s HIS 119 CO 0.00 -0.25 0.31 0.12 -0.85 0.00 0.00 174.74 174.08 3d6p s PHE 120 N -1.01 3.22 -0.17 1.40 5.36 -1.26 -0.91 117.98 124.61 3d6p s PHE 120 Ca -0.11 0.06 -0.14 0.00 -0.96 0.00 0.00 56.93 55.79 3d6p s PHE 120 Cb -0.06 -2.57 -0.22 0.00 -0.34 0.00 0.00 43.02 39.83 3d6p s PHE 120 CO 0.01 -0.33 0.27 -3.47 -1.46 0.00 0.00 175.22 170.24 3d6p n ASP 121 N 5.27 2.00 -3.63 6.13 2.03 0.49 -4.96 116.55 123.88 3d6p n ASP 121 Ca -0.10 0.30 -0.03 0.00 0.52 0.00 0.00 54.79 55.48 3d6p n ASP 121 Cb 0.50 -0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.47 -1.98 0.07 -1.67 0.00 -1.05 -4.94 121.76 109.73 3d6p s ALA 122 Ca -0.26 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3d6p s ALA 122 Cb 0.07 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3d6p s ALA 122 CO 0.68 -0.89 -0.23 -1.54 0.00 0.00 0.00 175.76 173.78 3d6p s SER 123 N -2.71 2.74 0.00 0.00 1.04 -1.26 -0.21 113.70 113.30 3d6p s SER 123 Ca 0.11 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3d6p s SER 123 Cb 0.01 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.93 3d6p s SER 123 CO -0.03 0.15 0.05 1.33 0.98 0.00 0.00 173.24 175.72