#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0m s GLU 2 N 0.00 4.13 0.66 -1.58 2.12 -1.26 -4.97 118.70 117.80 1o0m s GLU 2 Ca 0.00 2.58 -0.12 0.00 0.36 0.00 0.00 54.97 57.78 1o0m s GLU 2 Cb 0.00 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 1o0m s GLU 2 CO 0.00 -0.68 1.05 0.95 -0.54 0.00 0.00 175.26 176.04 1o0m s THR 3 N 0.55 4.04 0.27 -1.70 -4.23 -1.26 -4.87 115.64 108.45 1o0m s THR 3 Ca 0.68 0.75 -0.03 0.00 -1.18 0.00 0.00 61.69 61.92 1o0m s THR 3 Cb -0.48 -3.44 0.20 0.00 1.34 0.00 0.00 72.50 70.11 1o0m s THR 3 CO 0.40 -0.78 1.87 0.00 -0.54 0.00 0.00 174.62 175.58 1o0m h ALA 4 N -0.31 1.25 -0.51 3.99 0.00 -1.93 0.07 119.26 121.81 1o0m h ALA 4 Ca -0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1o0m h ALA 4 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o0m h ALA 4 CO 0.57 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.60 1o0m h ALA 5 N 1.36 0.67 -0.34 0.00 0.00 -1.85 -0.31 119.26 118.78 1o0m h ALA 5 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1o0m h ALA 5 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1o0m h ALA 5 CO -0.03 0.28 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 1o0m h ALA 6 N 1.05 1.00 -0.38 0.00 0.00 -1.76 -2.24 119.26 116.92 1o0m h ALA 6 Ca 0.17 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1o0m h ALA 6 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1o0m h ALA 6 CO -0.01 0.59 -0.09 -0.22 0.00 0.00 0.00 179.25 179.52 1o0m h LYS 7 N 0.57 0.66 -0.37 0.00 3.64 -0.60 -0.91 116.57 119.55 1o0m h LYS 7 Ca 0.09 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1o0m h LYS 7 Cb 0.67 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1o0m h LYS 7 CO 0.05 0.74 0.18 0.35 -2.27 0.00 0.00 179.45 178.50 1o0m h PHE 8 N 0.61 0.53 -0.69 1.91 3.57 -0.59 -0.80 116.94 121.47 1o0m h PHE 8 Ca 0.11 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1o0m h PHE 8 Cb 0.52 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1o0m h PHE 8 CO 0.02 0.45 0.20 0.93 -2.23 0.00 0.00 178.31 177.68 1o0m h GLU 9 N 0.46 1.08 -0.57 1.11 5.08 -1.06 0.23 114.58 120.90 1o0m h GLU 9 Ca 0.13 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1o0m h GLU 9 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1o0m h GLU 9 CO -0.02 0.94 0.15 -0.09 -1.00 0.00 0.00 179.01 178.99 1o0m h ARG 10 N 1.02 0.92 0.05 2.33 2.43 -0.93 -2.29 114.38 117.91 1o0m h ARG 10 Ca 0.22 -0.22 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 1o0m h ARG 10 Cb 0.32 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1o0m h ARG 10 CO -0.00 0.85 -1.45 1.96 -1.51 0.00 0.00 179.97 179.81 1o0m h GLN 11 N 0.82 0.11 -0.00 0.20 4.20 -1.02 -3.43 115.11 115.99 1o0m h GLN 11 Ca 0.18 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1o0m h GLN 11 Cb 0.34 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1o0m h GLN 11 CO 0.00 0.91 -0.04 0.72 -0.67 0.00 0.00 178.83 179.75 1o0m n HIS 12 N -3.31 0.00 -4.03 2.96 8.25 0.79 -4.63 115.22 115.26 1o0m n HIS 12 Ca -0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.99 1o0m n HIS 12 Cb 1.02 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.03 1o0m n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1o0m s MET 13 N -0.85 3.95 -0.47 -0.41 -1.94 -0.86 0.41 119.30 119.13 1o0m s MET 13 Ca 0.01 -0.36 0.06 0.00 -1.71 0.00 0.00 55.69 53.69 1o0m s MET 13 Cb 0.01 -3.19 0.21 0.00 2.01 0.00 0.00 34.83 33.86 1o0m s MET 13 CO 0.04 0.27 0.68 -3.47 -0.01 0.00 0.00 175.02 172.53 1o0m n ASP 14 N 3.54 -2.30 -0.04 3.03 2.03 -0.50 -4.86 116.55 117.45 1o0m n ASP 14 Ca -0.17 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.12 1o0m n ASP 14 Cb 0.52 1.05 -0.07 0.00 -0.72 0.00 0.00 41.12 41.90 1o0m n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1o0m h SER 15 N 4.70 0.23 -0.81 1.67 0.02 -1.73 -3.31 113.55 114.32 1o0m h SER 15 Ca 0.04 -0.41 0.16 0.00 -0.84 0.00 0.00 61.79 60.74 1o0m h SER 15 Cb 1.02 -0.06 -0.15 0.00 0.14 0.00 0.00 62.40 63.35 1o0m h SER 15 CO 0.22 0.59 -0.21 -1.54 -1.14 0.00 0.00 176.83 174.75 1o0m n SER 16 N -4.72 -0.31 -4.78 3.07 3.41 -1.26 -4.32 113.62 104.71 1o0m n SER 16 Ca -0.06 1.40 -0.37 0.00 -0.26 0.00 0.00 58.87 59.58 1o0m n SER 16 Cb 0.27 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1o0m n SER 16 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1o0m s THR 17 N -6.01 4.17 -0.19 6.66 2.01 -1.24 -4.95 115.64 116.09 1o0m s THR 17 Ca -0.12 1.77 0.20 0.00 0.31 0.00 0.00 61.69 63.85 1o0m s THR 17 Cb 0.22 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1o0m s THR 17 CO 0.63 0.11 0.95 -0.24 -0.69 0.00 0.00 174.62 175.39 1o0m n SER 18 N 0.47 0.86 -3.65 3.53 2.88 -1.26 -4.71 113.62 111.74 1o0m n SER 18 Ca 0.02 0.35 -0.02 0.00 -1.33 0.00 0.00 58.87 57.90 1o0m n SER 18 Cb 0.50 0.31 -0.05 0.00 -0.75 0.00 0.00 64.21 64.22 1o0m n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o0m s ALA 19 N -3.17 -2.16 -0.35 -1.46 0.00 -1.26 -4.89 121.76 108.46 1o0m s ALA 19 Ca -0.02 1.86 -0.42 0.00 0.00 0.00 0.00 51.96 53.38 1o0m s ALA 19 Cb 0.09 -1.64 -0.17 0.00 0.00 0.00 0.00 23.12 21.40 1o0m s ALA 19 CO 0.80 -0.20 1.71 0.00 0.00 0.00 0.00 175.76 178.07 1o0m n ALA 20 N 0.74 -0.54 -1.00 0.00 0.00 -1.26 -4.93 120.51 113.52 1o0m n ALA 20 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1o0m n ALA 20 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1o0m n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1o0m n SER 21 N 5.00 0.00 -4.45 0.00 2.88 -1.26 -4.96 113.62 110.83 1o0m n SER 21 Ca 0.28 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.56 1o0m n SER 21 Cb 0.07 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.67 1o0m n SER 21 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1o0m s SER 22 N -1.62 3.84 0.00 -3.46 1.04 -1.26 -4.95 113.70 107.28 1o0m s SER 22 Ca 0.00 -0.18 0.18 0.00 0.48 0.00 0.00 55.95 56.43 1o0m s SER 22 Cb 0.00 -0.04 0.94 0.00 0.10 0.00 0.00 66.02 67.02 1o0m s SER 22 CO 0.00 -2.22 1.55 -1.54 0.98 0.00 0.00 173.24 172.01 1o0m n SER 23 N -3.19 0.00 -1.05 7.02 3.41 -1.26 -2.34 113.62 116.20 1o0m n SER 23 Ca 0.16 -0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.84 1o0m n SER 23 Cb 0.60 -0.26 0.23 0.00 -0.26 0.00 0.00 64.21 64.52 1o0m n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1o0m n ASN 24 N -1.26 3.42 -0.10 4.04 3.02 -1.26 -4.36 115.26 118.76 1o0m n ASN 24 Ca 0.09 -1.96 -0.05 0.00 -0.03 0.00 0.00 54.58 52.63 1o0m n ASN 24 Cb 0.14 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1o0m n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1o0m h TYR 25 N 3.63 -0.08 -0.48 3.10 3.20 -1.84 -1.24 116.97 123.26 1o0m h TYR 25 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1o0m h TYR 25 Cb 0.89 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1o0m h TYR 25 CO 0.32 -0.10 0.10 0.00 -1.64 0.00 0.00 178.16 176.84 1o0m h ASN 27 N 0.67 0.75 -0.06 0.00 2.35 -1.74 0.19 115.58 117.74 1o0m h ASN 27 Ca 0.15 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1o0m h ASN 27 Cb 0.37 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1o0m h ASN 27 CO 0.01 0.51 -0.24 1.56 -1.65 0.00 0.00 177.43 177.62 1o0m h GLN 28 N 0.89 0.26 -0.35 0.81 4.20 -1.03 -3.12 115.11 116.77 1o0m h GLN 28 Ca 0.30 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 1o0m h GLN 28 Cb 0.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1o0m h GLN 28 CO -0.12 0.85 -0.29 0.52 -0.67 0.00 0.00 178.83 179.12 1o0m h MET 29 N -0.27 0.82 -0.97 1.46 2.86 -0.37 -1.22 114.93 117.24 1o0m h MET 29 Ca -0.01 -0.41 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 1o0m h MET 29 Cb 0.89 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.50 1o0m h MET 29 CO 0.05 1.05 0.64 0.52 1.06 0.00 0.00 176.91 180.22 1o0m h MET 30 N 0.61 1.19 -0.21 1.72 2.86 -0.75 -1.08 114.93 119.27 1o0m h MET 30 Ca 0.06 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1o0m h MET 30 Cb 0.87 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1o0m h MET 30 CO 0.08 0.79 -0.17 -0.22 1.06 0.00 0.00 176.91 178.44 1o0m h LYS 31 N 1.22 0.48 0.00 1.72 3.64 -1.46 -0.14 116.57 122.03 1o0m h LYS 31 Ca 0.39 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1o0m h LYS 31 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1o0m h LYS 31 CO -0.12 0.81 -0.03 0.77 -2.27 0.00 0.00 179.45 178.60 1o0m h SER 32 N 0.16 0.00 -0.55 4.20 0.02 -0.68 -1.83 113.55 114.87 1o0m h SER 32 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o0m h SER 32 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1o0m h SER 32 CO 0.04 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.31 1o0m n ARG 33 N -4.21 3.44 -2.29 3.45 5.12 -0.46 -4.92 116.66 116.78 1o0m n ARG 33 Ca -0.03 -2.46 -0.20 0.00 -1.93 0.00 0.00 57.85 53.24 1o0m n ARG 33 Cb 0.12 -1.84 -0.02 0.00 -1.16 0.00 0.00 32.46 29.56 1o0m n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1o0m n ASN 34 N 0.89 -5.61 -1.21 0.55 3.02 -0.69 -4.85 115.26 107.37 1o0m n ASN 34 Ca 0.22 0.03 0.07 0.00 -0.03 0.00 0.00 54.58 54.88 1o0m n ASN 34 Cb 0.81 -4.66 0.26 0.00 -0.61 0.00 0.00 39.78 35.57 1o0m n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1o0m n LEU 35 N -2.76 3.52 0.00 3.41 4.77 -0.07 -3.68 117.00 122.19 1o0m n LEU 35 Ca -0.23 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 1o0m n LEU 35 Cb 0.67 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1o0m n LEU 35 CO 0.27 0.64 0.26 0.35 -1.33 0.00 0.00 177.39 177.58 1o0m n THR 36 N 0.82 0.14 0.01 -5.08 -2.24 -1.24 -1.59 114.28 105.11 1o0m n THR 36 Ca 0.19 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1o0m n THR 36 Cb 0.65 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1o0m n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1o0m h LYS 37 N 0.00 -0.03 0.00 -0.78 3.64 -1.90 -3.37 116.57 114.13 1o0m h LYS 37 Ca 0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1o0m h LYS 37 Cb 0.85 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 1o0m h LYS 37 CO 0.00 -0.02 -1.79 -0.25 -2.27 0.00 0.00 179.45 175.12 1o0m n ASP 38 N -2.24 0.66 -3.83 4.20 8.00 -1.26 -5.00 116.55 117.07 1o0m n ASP 38 Ca -0.00 0.31 -0.08 0.00 0.71 0.00 0.00 54.79 55.72 1o0m n ASP 38 Cb 0.01 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1o0m n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o0m s ARG 39 N -2.68 1.67 -0.26 -1.24 1.70 -1.26 -5.06 118.95 111.82 1o0m s ARG 39 Ca -0.05 -0.97 -0.22 0.00 -0.47 0.00 0.00 55.73 54.02 1o0m s ARG 39 Cb 0.08 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 35.02 1o0m s ARG 39 CO 0.83 -0.75 0.69 0.00 -1.08 0.00 0.00 175.30 174.99 1o0m s LYS 41 N 2.62 4.22 0.12 0.00 2.20 -0.62 -4.91 119.74 123.37 1o0m s LYS 41 Ca 0.29 1.97 -0.21 0.00 -0.36 0.00 0.00 55.97 57.65 1o0m s LYS 41 Cb -0.15 -3.82 -0.06 0.00 -1.51 0.00 0.00 37.83 32.29 1o0m s LYS 41 CO 0.09 -0.74 1.71 -1.35 -0.36 0.00 0.00 175.35 174.69 1o0m h PRO 42 N 8.71 -0.03 -4.34 4.03 0.11 -1.94 -3.44 132.00 135.10 1o0m h PRO 42 Ca -0.35 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.33 1o0m h PRO 42 Cb 1.15 0.01 -0.33 0.00 0.11 0.00 0.00 31.00 31.94 1o0m h PRO 42 CO 0.95 -0.02 -0.79 0.08 -0.21 0.00 0.00 178.00 178.01 1o0m s VAL 43 N -6.19 0.76 -0.19 3.15 1.01 -1.26 -0.67 120.40 117.01 1o0m s VAL 43 Ca -0.13 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1o0m s VAL 43 Cb 0.09 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.81 1o0m s VAL 43 CO 0.68 0.26 0.49 0.21 0.00 0.00 0.00 175.10 176.74 1o0m s ASN 44 N 0.59 -0.53 -0.08 3.32 2.47 -0.15 -5.02 114.94 115.54 1o0m s ASN 44 Ca -0.10 1.00 0.01 0.00 0.42 0.00 0.00 52.86 54.19 1o0m s ASN 44 Cb -0.13 0.99 -0.03 0.00 -1.45 0.00 0.00 41.25 40.64 1o0m s ASN 44 CO 0.01 -0.18 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.23 1o0m s THR 45 N 0.46 3.47 -0.08 -5.21 2.01 -1.26 -0.42 115.64 114.60 1o0m s THR 45 Ca -0.02 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1o0m s THR 45 Cb -0.04 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1o0m s THR 45 CO -0.02 0.57 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.03 1o0m s PHE 46 N -0.47 2.86 -0.16 4.92 0.08 -0.27 -4.25 117.98 120.69 1o0m s PHE 46 Ca 0.06 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 1o0m s PHE 46 Cb -0.12 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1o0m s PHE 46 CO 0.02 0.15 -0.02 0.08 -0.10 0.00 0.00 175.22 175.35 1o0m s VAL 47 N -0.44 4.02 -2.46 -0.44 1.01 0.17 -0.69 120.40 121.56 1o0m s VAL 47 Ca 0.06 -0.31 0.23 0.00 0.00 0.00 0.00 61.98 61.95 1o0m s VAL 47 Cb -0.12 -2.77 0.42 0.00 0.00 0.00 0.00 36.38 33.90 1o0m s VAL 47 CO 0.02 0.49 1.46 1.41 0.00 0.00 0.00 175.10 178.48 1o0m n HIS 48 N 3.56 0.31 -1.96 5.22 -0.00 -0.08 -1.41 115.22 120.85 1o0m n HIS 48 Ca -0.17 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.72 57.11 1o0m n HIS 48 Cb 0.52 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.62 1o0m n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1o0m s GLU 49 N -1.69 1.69 0.70 -0.41 0.41 -1.26 -4.32 118.70 113.82 1o0m s GLU 49 Ca 0.35 -0.08 -0.13 0.00 -0.41 0.00 0.00 54.97 54.70 1o0m s GLU 49 Cb 0.20 -1.96 0.02 0.00 -1.78 0.00 0.00 34.13 30.61 1o0m s GLU 49 CO 0.29 -1.73 1.11 -1.54 -0.49 0.00 0.00 175.26 172.90 1o0m s SER 50 N -4.64 4.85 0.28 -0.19 1.04 -1.26 -4.17 113.70 109.60 1o0m s SER 50 Ca 0.65 1.95 -0.03 0.00 0.48 0.00 0.00 55.95 58.99 1o0m s SER 50 Cb -0.09 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.87 1o0m s SER 50 CO 0.49 -1.80 1.93 0.25 0.98 0.00 0.00 173.24 175.09 1o0m h LEU 51 N -0.40 0.98 -0.32 2.42 5.85 -1.97 -1.79 115.31 120.07 1o0m h LEU 51 Ca -0.46 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1o0m h LEU 51 Cb 1.24 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1o0m h LEU 51 CO 0.53 0.75 0.19 0.00 -0.34 0.00 0.00 178.44 179.56 1o0m h ALA 52 N 1.42 0.40 -0.82 1.25 0.00 -1.98 0.21 119.26 119.73 1o0m h ALA 52 Ca 0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1o0m h ALA 52 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1o0m h ALA 52 CO -0.06 -0.17 0.36 -0.44 0.00 0.00 0.00 179.25 178.94 1o0m h ASP 53 N 0.39 1.11 -0.26 0.00 5.19 -1.81 -0.70 116.42 120.34 1o0m h ASP 53 Ca 0.12 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.26 1o0m h ASP 53 Cb -0.00 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 39.22 1o0m h ASP 53 CO -0.06 0.96 -0.30 0.58 -3.12 0.00 0.00 179.24 177.30 1o0m h VAL 54 N 1.19 1.31 -0.14 -1.35 2.07 -0.97 -2.98 116.25 115.38 1o0m h VAL 54 Ca 0.28 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1o0m h VAL 54 Cb 0.17 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1o0m h VAL 54 CO -0.03 0.47 -0.08 1.56 0.02 0.00 0.00 177.57 179.51 1o0m h GLN 55 N 0.38 0.21 0.00 1.57 4.20 -0.41 -1.88 115.11 119.18 1o0m h GLN 55 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1o0m h GLN 55 Cb 0.87 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1o0m h GLN 55 CO 0.07 0.30 -0.04 0.00 -0.67 0.00 0.00 178.83 178.49 1o0m h ALA 56 N 1.72 1.19 -0.19 3.87 0.00 -0.97 -2.10 119.26 122.78 1o0m h ALA 56 Ca 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1o0m h ALA 56 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1o0m h ALA 56 CO 0.01 0.05 0.16 0.28 0.00 0.00 0.00 179.25 179.76 1o0m h VAL 57 N 0.00 0.68 0.00 0.00 2.07 -1.33 -0.43 116.25 117.24 1o0m h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1o0m h VAL 57 Cb 0.19 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1o0m h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1o0m n SER 59 N -1.30 2.38 0.00 0.00 7.64 -0.17 -5.00 113.62 117.17 1o0m n SER 59 Ca 0.04 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1o0m n SER 59 Cb 0.08 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1o0m n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o0m n GLN 60 N -1.42 0.00 -2.52 1.43 6.02 -0.39 -5.02 117.38 115.47 1o0m n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 1o0m n GLN 60 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.88 1o0m n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1o0m s LYS 61 N 3.94 3.65 -0.00 -1.09 2.20 -1.03 -4.90 119.74 122.51 1o0m s LYS 61 Ca 0.00 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 1o0m s LYS 61 Cb 0.00 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 1o0m s LYS 61 CO 0.00 -1.48 1.35 1.21 -0.36 0.00 0.00 175.35 176.07 1o0m s ASN 62 N 2.99 6.90 0.06 1.43 3.04 -1.26 -0.09 114.94 128.00 1o0m s ASN 62 Ca 0.52 2.06 -0.01 0.00 0.04 0.00 0.00 52.86 55.47 1o0m s ASN 62 Cb -0.09 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 1o0m s ASN 62 CO 0.32 -0.68 -0.01 0.68 -3.04 0.00 0.00 177.10 174.37 1o0m s VAL 63 N 2.22 0.21 0.48 -5.21 -7.23 0.15 -4.92 120.40 106.10 1o0m s VAL 63 Ca 0.62 -1.78 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 1o0m s VAL 63 Cb -0.30 -1.53 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 1o0m s VAL 63 CO 0.26 -0.95 1.16 0.00 -0.31 0.00 0.00 175.10 175.25 1o0m s ALA 64 N -3.92 2.90 0.43 1.32 0.00 -1.26 -3.19 121.76 118.04 1o0m s ALA 64 Ca 0.08 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 1o0m s ALA 64 Cb 0.08 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1o0m s ALA 64 CO -0.10 -0.69 0.75 0.00 0.00 0.00 0.00 175.76 175.72 1o0m h LYS 66 N 0.76 0.66 -0.03 0.00 3.64 -1.92 -0.99 116.57 118.69 1o0m h LYS 66 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1o0m h LYS 66 Cb 1.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1o0m h LYS 66 CO 0.63 0.44 0.00 0.27 -2.27 0.00 0.00 179.45 178.52 1o0m n ASN 67 N -4.48 0.25 0.00 4.20 0.23 -1.26 -4.89 115.26 109.31 1o0m n ASN 67 Ca 0.10 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 1o0m n ASN 67 Cb 0.24 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1o0m n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1o0m n GLY 68 N 0.82 1.97 3.73 4.83 0.00 -0.38 -5.05 105.19 111.11 1o0m n GLY 68 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1o0m n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o0m s GLN 69 N -0.77 2.08 -0.08 1.61 -0.21 -1.26 -4.72 119.66 116.32 1o0m s GLN 69 Ca 0.00 1.48 0.16 0.00 0.02 0.00 0.00 55.36 57.02 1o0m s GLN 69 Cb 0.00 -1.85 0.54 0.00 1.00 0.00 0.00 33.01 32.70 1o0m s GLN 69 CO 0.00 -1.82 1.46 0.25 -2.12 0.00 0.00 175.29 173.06 1o0m n THR 70 N -3.17 1.61 -1.27 -0.19 -2.24 -1.26 -1.11 114.28 106.65 1o0m n THR 70 Ca 0.11 -1.27 -0.20 0.00 -2.27 0.00 0.00 64.05 60.42 1o0m n THR 70 Cb 0.52 0.19 0.18 0.00 -2.10 0.00 0.00 70.33 69.12 1o0m n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1o0m n ASN 71 N 0.60 3.50 -4.91 3.42 6.94 -1.26 -4.79 115.26 118.76 1o0m n ASN 71 Ca 0.20 -3.64 -0.32 0.00 -0.02 0.00 0.00 54.58 50.80 1o0m n ASN 71 Cb 0.72 -0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 37.30 1o0m n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1o0m s TYR 73 N -1.49 0.31 -0.13 0.00 1.51 0.78 -0.67 117.35 117.66 1o0m s TYR 73 Ca 0.34 -0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1o0m s TYR 73 Cb -0.13 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1o0m s TYR 73 CO 0.26 -0.03 0.06 -1.14 -1.11 0.00 0.00 175.55 173.58 1o0m s GLN 74 N 0.17 3.49 0.25 -0.62 0.74 0.87 -0.95 119.66 123.61 1o0m s GLN 74 Ca -0.01 -0.32 -0.30 0.00 0.05 0.00 0.00 55.36 54.78 1o0m s GLN 74 Cb -0.04 -3.05 -0.10 0.00 1.10 0.00 0.00 33.01 30.92 1o0m s GLN 74 CO -0.00 0.55 1.34 -1.54 -0.55 0.00 0.00 175.29 175.08 1o0m s SER 75 N -0.41 6.81 0.19 6.67 1.04 0.08 -2.48 113.70 125.60 1o0m s SER 75 Ca 0.09 2.54 -0.09 0.00 0.48 0.00 0.00 55.95 58.97 1o0m s SER 75 Cb -0.12 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.47 1o0m s SER 75 CO 0.02 -0.56 1.70 1.88 0.98 0.00 0.00 173.24 177.26 1o0m h TYR 76 N 4.73 1.12 -2.42 5.02 0.05 -1.94 -3.43 116.97 120.10 1o0m h TYR 76 Ca -0.46 -0.14 -0.46 0.00 0.05 0.00 0.00 58.73 57.72 1o0m h TYR 76 Cb 1.22 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.64 1o0m h TYR 76 CO 0.60 0.93 -0.33 -1.12 -1.05 0.00 0.00 178.16 177.19 1o0m s SER 77 N -6.40 6.28 0.57 3.88 0.01 -1.26 -5.04 113.70 111.74 1o0m s SER 77 Ca -0.12 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 1o0m s SER 77 Cb 0.14 -1.89 -0.06 0.00 0.21 0.00 0.00 66.02 64.42 1o0m s SER 77 CO 0.84 -0.19 1.01 0.42 0.41 0.00 0.00 173.24 175.73 1o0m s THR 78 N -2.13 4.60 0.08 1.44 -4.23 -1.26 -4.47 115.64 109.68 1o0m s THR 78 Ca 0.37 1.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.97 1o0m s THR 78 Cb -0.09 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1o0m s THR 78 CO 0.32 -0.90 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.35 1o0m s MET 79 N -4.60 0.80 -0.12 3.99 -1.94 0.13 -4.85 119.30 112.70 1o0m s MET 79 Ca 0.57 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.19 1o0m s MET 79 Cb -0.11 -0.56 -0.02 0.00 2.01 0.00 0.00 34.83 36.15 1o0m s MET 79 CO 0.42 0.10 1.21 0.45 -0.01 0.00 0.00 175.02 177.19 1o0m s SER 80 N -2.19 7.01 0.15 3.03 0.15 -1.26 -1.70 113.70 118.89 1o0m s SER 80 Ca 0.02 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1o0m s SER 80 Cb -0.05 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1o0m s SER 80 CO 0.01 -0.67 0.03 0.27 1.20 0.00 0.00 173.24 174.08 1o0m s ILE 81 N 2.88 0.34 -0.09 6.45 -4.36 -0.04 -0.91 121.20 125.48 1o0m s ILE 81 Ca 0.54 -1.93 -0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1o0m s ILE 81 Cb -0.22 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1o0m s ILE 81 CO 0.17 -0.49 -0.06 -0.89 0.24 0.00 0.00 174.94 173.91 1o0m s THR 82 N -3.88 0.87 -0.11 8.37 2.01 0.13 -1.12 115.64 121.91 1o0m s THR 82 Ca 0.23 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.84 1o0m s THR 82 Cb 0.07 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1o0m s THR 82 CO 0.02 0.33 0.48 -1.81 -0.69 0.00 0.00 174.62 172.95 1o0m s ASP 83 N 1.59 6.70 -0.21 3.53 1.01 0.11 -1.12 116.67 128.28 1o0m s ASP 83 Ca 0.02 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.10 1o0m s ASP 83 Cb -0.13 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1o0m s ASP 83 CO -0.06 0.02 -0.11 0.00 0.21 0.00 0.00 175.17 175.24 1o0m s ARG 85 N 1.36 1.24 0.24 0.00 3.52 -1.09 -0.97 118.95 123.26 1o0m s ARG 85 Ca 0.04 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.09 1o0m s ARG 85 Cb -0.14 -1.14 -0.13 0.00 -1.56 0.00 0.00 34.95 31.98 1o0m s ARG 85 CO -0.07 -0.06 1.45 -1.91 -0.81 0.00 0.00 175.30 173.90 1o0m n GLU 86 N 4.06 2.15 -1.12 5.12 2.13 0.16 -1.05 120.64 132.08 1o0m n GLU 86 Ca -0.22 0.77 -0.29 0.00 0.66 0.00 0.00 57.16 58.07 1o0m n GLU 86 Cb 0.51 -2.45 0.18 0.00 0.27 0.00 0.00 31.44 29.95 1o0m n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1o0m s THR 87 N -0.00 2.11 0.18 6.31 -4.23 -0.68 -4.83 115.64 114.50 1o0m s THR 87 Ca 0.68 0.03 0.32 0.00 -1.18 0.00 0.00 61.69 61.55 1o0m s THR 87 Cb -0.63 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.08 1o0m s THR 87 CO 0.49 -0.04 2.00 1.23 -0.54 0.00 0.00 174.62 177.75 1o0m h GLY 88 N -1.93 0.00 -0.82 3.99 0.00 -1.93 -3.04 103.07 99.33 1o0m h GLY 88 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1o0m h GLY 88 CO 0.57 0.00 -0.17 -1.14 0.00 0.00 0.00 176.54 175.80 1o0m n SER 89 N -3.19 1.74 -4.72 0.19 3.41 -1.26 -5.01 113.62 104.78 1o0m n SER 89 Ca -0.00 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 56.81 1o0m n SER 89 Cb 0.30 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1o0m n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1o0m n SER 90 N 0.20 3.38 -3.70 4.04 2.88 -1.15 -5.00 113.62 114.27 1o0m n SER 90 Ca 0.07 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1o0m n SER 90 Cb 0.31 -1.53 -0.13 0.00 -0.75 0.00 0.00 64.21 62.11 1o0m n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1o0m s LYS 91 N -0.69 0.16 0.46 -1.46 2.47 -1.17 -4.90 119.74 114.61 1o0m s LYS 91 Ca 0.64 0.61 -0.24 0.00 -1.56 0.00 0.00 55.97 55.42 1o0m s LYS 91 Cb -0.55 -0.10 -0.09 0.00 -1.46 0.00 0.00 37.83 35.62 1o0m s LYS 91 CO 0.51 -0.22 1.18 0.98 0.16 0.00 0.00 175.35 177.96 1o0m n TYR 92 N 4.73 1.76 1.22 4.03 9.36 -1.26 -0.74 117.16 136.26 1o0m n TYR 92 Ca -0.17 0.50 0.14 0.00 3.32 0.00 0.00 57.90 61.70 1o0m n TYR 92 Cb 0.51 -2.31 0.67 0.00 -0.63 0.00 0.00 39.34 37.59 1o0m n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1o0m n PRO 93 N -0.18 0.23 -2.41 2.98 -0.04 -1.26 -4.95 135.00 129.37 1o0m n PRO 93 Ca 0.09 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1o0m n PRO 93 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1o0m n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o0m n ASN 94 N -1.38 4.79 -4.71 3.54 4.13 0.08 -4.97 115.26 116.74 1o0m n ASN 94 Ca 0.11 -2.96 -0.42 0.00 1.68 0.00 0.00 54.58 52.99 1o0m n ASN 94 Cb 0.29 -1.62 -0.03 0.00 -1.54 0.00 0.00 39.78 36.88 1o0m n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o0m s ALA 96 N 1.29 1.87 0.11 0.00 0.00 -1.26 -4.95 121.76 118.82 1o0m s ALA 96 Ca 0.61 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1o0m s ALA 96 Cb -0.32 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1o0m s ALA 96 CO 0.29 0.35 -0.15 0.71 0.00 0.00 0.00 175.76 176.96 1o0m s TYR 97 N -0.06 1.41 -0.22 0.00 1.51 -1.26 -1.68 117.35 117.05 1o0m s TYR 97 Ca -0.04 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.39 1o0m s TYR 97 Cb -0.13 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1o0m s TYR 97 CO 0.03 0.14 0.15 0.21 -1.11 0.00 0.00 175.55 174.97 1o0m s LYS 98 N -2.49 4.14 -0.23 -0.62 2.47 -0.22 -4.70 119.74 118.10 1o0m s LYS 98 Ca 0.07 -0.24 -0.12 0.00 -1.56 0.00 0.00 55.97 54.13 1o0m s LYS 98 Cb -0.06 -3.47 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 1o0m s LYS 98 CO 0.03 0.20 0.22 0.99 0.16 0.00 0.00 175.35 176.95 1o0m s THR 99 N 0.66 5.32 -0.12 3.43 2.01 -1.26 -2.66 115.64 123.03 1o0m s THR 99 Ca 0.08 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 1o0m s THR 99 Cb -0.12 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1o0m s THR 99 CO 0.01 0.33 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.36 1o0m s THR 100 N 1.05 0.64 0.36 -0.82 2.01 -0.80 -4.98 115.64 113.10 1o0m s THR 100 Ca 0.11 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1o0m s THR 100 Cb -0.14 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.44 1o0m s THR 100 CO 0.05 0.18 0.87 -1.10 -0.69 0.00 0.00 174.62 173.92 1o0m s GLN 101 N 1.85 4.23 0.24 4.92 -0.21 -1.26 -0.71 119.66 128.72 1o0m s GLN 101 Ca 0.03 1.01 -0.20 0.00 0.02 0.00 0.00 55.36 56.22 1o0m s GLN 101 Cb -0.14 -2.43 0.03 0.00 1.00 0.00 0.00 33.01 31.47 1o0m s GLN 101 CO -0.07 0.12 0.64 0.00 -2.12 0.00 0.00 175.29 173.86 1o0m s ALA 102 N -1.96 -1.10 -0.28 6.09 0.00 -0.27 -4.93 121.76 119.30 1o0m s ALA 102 Ca 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1o0m s ALA 102 Cb -0.12 0.88 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1o0m s ALA 102 CO 0.17 -0.94 0.09 -0.80 0.00 0.00 0.00 175.76 174.28 1o0m s ASN 103 N -2.90 3.73 0.24 0.00 0.01 -1.26 -0.86 114.94 113.90 1o0m s ASN 103 Ca 0.11 -1.42 -0.06 0.00 -0.71 0.00 0.00 52.86 50.79 1o0m s ASN 103 Cb -0.04 -0.73 -0.02 0.00 0.41 0.00 0.00 41.25 40.87 1o0m s ASN 103 CO 0.03 -0.40 0.30 -0.54 -1.51 0.00 0.00 177.10 174.99 1o0m s LYS 104 N 1.75 1.42 0.34 -0.60 1.02 -0.69 -4.76 119.74 118.22 1o0m s LYS 104 Ca 0.07 -1.50 -0.26 0.00 0.02 0.00 0.00 55.97 54.30 1o0m s LYS 104 Cb -0.17 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.41 1o0m s LYS 104 CO -0.24 -0.54 0.97 -1.01 -0.92 0.00 0.00 175.35 173.61 1o0m s HIS 105 N -3.98 3.60 0.12 3.18 3.76 0.56 0.19 115.29 122.71 1o0m s HIS 105 Ca 0.32 1.75 0.06 0.00 -0.15 0.00 0.00 55.06 57.04 1o0m s HIS 105 Cb 0.03 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1o0m s HIS 105 CO 0.12 0.03 -0.02 0.96 -0.85 0.00 0.00 174.74 174.98 1o0m s ILE 106 N -1.64 3.78 -0.13 0.60 -4.36 -1.26 -0.50 121.20 117.69 1o0m s ILE 106 Ca 0.52 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.75 1o0m s ILE 106 Cb -0.19 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.72 1o0m s ILE 106 CO 0.24 0.06 -0.16 -0.63 0.24 0.00 0.00 174.94 174.69 1o0m s ILE 107 N -1.40 1.65 0.12 8.37 1.01 0.94 -0.74 121.20 131.14 1o0m s ILE 107 Ca 0.25 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.24 1o0m s ILE 107 Cb -0.11 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1o0m s ILE 107 CO 0.17 0.47 -0.12 0.68 0.00 0.00 0.00 174.94 176.15 1o0m s VAL 108 N 1.19 1.14 -0.04 2.92 -7.23 -0.13 -0.55 120.40 117.70 1o0m s VAL 108 Ca -0.01 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 1o0m s VAL 108 Cb -0.14 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1o0m s VAL 108 CO -0.06 -0.53 0.39 0.00 -0.31 0.00 0.00 175.10 174.58 1o0m s ALA 109 N -2.47 3.67 0.04 1.32 0.00 -0.34 -0.16 121.76 123.83 1o0m s ALA 109 Ca 0.09 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1o0m s ALA 109 Cb -0.03 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1o0m s ALA 109 CO 0.01 0.40 -0.23 0.00 0.00 0.00 0.00 175.76 175.94 1o0m s GLU 111 N -1.16 0.94 0.00 0.00 -1.05 -0.70 -4.89 118.70 111.84 1o0m s GLU 111 Ca 0.09 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1o0m s GLU 111 Cb -0.09 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 1o0m s GLU 111 CO 0.02 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.21 1o0m n GLY 112 N -0.38 -0.59 2.77 -3.83 0.00 -1.26 -2.57 105.19 99.33 1o0m n GLY 112 Ca -0.07 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 1o0m n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o0m s ASN 113 N -1.49 3.44 0.64 1.61 3.04 -1.26 -1.36 114.94 119.57 1o0m s ASN 113 Ca 0.00 -1.15 -0.18 0.00 0.04 0.00 0.00 52.86 51.57 1o0m s ASN 113 Cb 0.00 -0.78 -0.01 0.00 -1.54 0.00 0.00 41.25 38.91 1o0m s ASN 113 CO 0.00 -0.33 1.28 -2.16 -3.04 0.00 0.00 177.10 172.85 1o0m s PRO 114 N 1.70 2.59 -0.79 0.43 0.04 -1.26 -5.08 135.00 132.63 1o0m s PRO 114 Ca 0.02 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 1o0m s PRO 114 Cb -0.17 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1o0m s PRO 114 CO -0.13 -1.56 1.34 -0.47 0.04 0.00 0.00 177.00 176.23 1o0m s TYR 115 N -1.44 2.30 0.31 0.56 5.04 -0.46 -4.86 117.35 118.79 1o0m s TYR 115 Ca 0.82 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 55.32 1o0m s TYR 115 Cb -0.36 -4.61 -0.05 0.00 0.35 0.00 0.00 41.96 37.28 1o0m s TYR 115 CO 0.39 -2.06 0.09 0.14 -1.34 0.00 0.00 175.55 172.77 1o0m s VAL 116 N 5.78 0.82 0.31 3.14 -7.23 -1.06 -4.82 120.40 117.35 1o0m s VAL 116 Ca 0.39 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 1o0m s VAL 116 Cb -0.07 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 1o0m s VAL 116 CO 0.10 0.00 1.35 -2.84 -0.31 0.00 0.00 175.10 173.40 1o0m s PRO 117 N -3.91 4.32 0.00 4.82 0.02 -1.26 -1.73 135.00 137.25 1o0m s PRO 117 Ca 0.35 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1o0m s PRO 117 Cb 0.07 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1o0m s PRO 117 CO 0.15 -0.27 0.33 1.33 -0.33 0.00 0.00 177.00 178.21 1o0m n VAL 118 N 1.19 0.10 -3.64 3.83 0.24 0.48 -4.41 118.33 116.12 1o0m n VAL 118 Ca 0.02 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 1o0m n VAL 118 Cb 0.41 1.40 -0.07 0.00 -1.47 0.00 0.00 33.84 34.11 1o0m n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1o0m s HIS 119 N -0.10 -0.59 -0.39 6.34 5.65 -1.22 -4.72 115.29 120.27 1o0m s HIS 119 Ca 0.00 1.37 -0.16 0.00 0.25 0.00 0.00 55.06 56.51 1o0m s HIS 119 Cb 0.00 0.36 0.01 0.00 -1.18 0.00 0.00 32.58 31.77 1o0m s HIS 119 CO 0.00 -0.28 0.41 0.12 -0.65 0.00 0.00 174.74 174.33 1o0m s PHE 120 N 0.50 3.19 -0.04 3.88 5.36 -1.26 -1.20 117.98 128.41 1o0m s PHE 120 Ca 0.00 -0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 55.65 1o0m s PHE 120 Cb -0.05 -2.80 -0.30 0.00 -0.34 0.00 0.00 43.02 39.53 1o0m s PHE 120 CO -0.07 -0.59 0.69 0.22 -1.46 0.00 0.00 175.22 174.02 1o0m h ASP 121 N 8.61 0.59 0.00 6.13 3.58 -1.17 -3.49 116.42 130.67 1o0m h ASP 121 Ca -0.28 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.30 1o0m h ASP 121 Cb 1.12 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1o0m h ASP 121 CO 0.75 1.74 0.00 0.00 -2.88 0.00 0.00 179.24 178.85 1o0m n ALA 122 N -2.83 0.00 -2.50 -0.78 0.00 -1.07 -4.95 120.51 108.37 1o0m n ALA 122 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 1o0m n ALA 122 Cb 1.07 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.37 1o0m n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1o0m s SER 123 N 0.00 2.06 0.00 0.00 1.04 -1.26 -0.04 113.70 115.50 1o0m s SER 123 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1o0m s SER 123 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1o0m s SER 123 CO 0.00 0.20 0.06 1.33 0.98 0.00 0.00 173.24 175.81