#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0h s GLU 2 N 0.00 4.16 0.76 1.97 2.12 -1.26 -5.01 118.70 121.43 1o0h s GLU 2 Ca 0.00 2.49 -0.11 0.00 0.36 0.00 0.00 54.97 57.71 1o0h s GLU 2 Cb 0.00 -3.82 0.05 0.00 0.26 0.00 0.00 34.13 30.61 1o0h s GLU 2 CO 0.00 -0.86 1.08 0.95 -0.54 0.00 0.00 175.26 175.89 1o0h s THR 3 N 3.42 3.48 0.27 -1.70 -4.23 -1.26 -4.85 115.64 110.77 1o0h s THR 3 Ca 0.81 0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 61.75 1o0h s THR 3 Cb -0.42 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1o0h s THR 3 CO 0.36 -0.63 1.94 0.00 -0.54 0.00 0.00 174.62 175.75 1o0h h ALA 4 N -1.00 1.33 -0.58 3.99 0.00 -1.96 0.28 119.26 121.33 1o0h h ALA 4 Ca -0.45 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1o0h h ALA 4 Cb 1.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1o0h h ALA 4 CO 0.56 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.57 1o0h h ALA 5 N 1.41 0.76 -0.58 0.00 0.00 -1.91 -1.17 119.26 117.77 1o0h h ALA 5 Ca 0.36 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1o0h h ALA 5 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1o0h h ALA 5 CO -0.08 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.66 1o0h h ALA 6 N 1.03 0.97 -0.74 0.00 0.00 -1.74 -2.42 119.26 116.36 1o0h h ALA 6 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1o0h h ALA 6 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1o0h h ALA 6 CO 0.00 0.63 0.24 -0.22 0.00 0.00 0.00 179.25 179.91 1o0h h LYS 7 N 0.90 1.13 -0.62 0.00 3.64 -0.70 -1.07 116.57 119.86 1o0h h LYS 7 Ca 0.17 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1o0h h LYS 7 Cb 0.48 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1o0h h LYS 7 CO 0.02 0.95 0.37 0.35 -2.27 0.00 0.00 179.45 178.87 1o0h h PHE 8 N 1.09 0.82 -0.70 1.91 3.04 -0.87 0.57 116.94 122.80 1o0h h PHE 8 Ca 0.24 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1o0h h PHE 8 Cb 0.28 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 1o0h h PHE 8 CO 0.02 0.56 0.43 0.93 -2.02 0.00 0.00 178.31 178.23 1o0h h GLU 9 N 0.83 0.95 -0.53 1.11 5.08 -0.99 0.12 114.58 121.15 1o0h h GLU 9 Ca 0.22 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1o0h h GLU 9 Cb -0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1o0h h GLU 9 CO -0.04 0.67 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.42 1o0h h ARG 10 N 0.96 1.01 0.00 2.33 2.43 -0.80 -1.67 114.38 118.63 1o0h h ARG 10 Ca 0.25 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1o0h h ARG 10 Cb -0.04 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1o0h h ARG 10 CO -0.05 1.06 -0.80 1.96 -1.51 0.00 0.00 179.97 180.64 1o0h h GLN 11 N 0.89 0.00 0.00 0.20 4.20 -0.70 -3.42 115.11 116.28 1o0h h GLN 11 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1o0h h GLN 11 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1o0h h GLN 11 CO 0.05 0.28 0.00 0.72 -0.67 0.00 0.00 178.83 179.21 1o0h n HIS 12 N -3.01 0.00 -3.98 2.96 8.25 0.40 -4.70 115.22 115.14 1o0h n HIS 12 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1o0h n HIS 12 Cb 0.71 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.72 1o0h n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1o0h s MET 13 N -0.22 3.97 -0.42 -0.41 -1.94 -0.63 0.26 119.30 119.91 1o0h s MET 13 Ca 0.00 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 53.72 1o0h s MET 13 Cb 0.00 -3.23 0.22 0.00 2.01 0.00 0.00 34.83 33.83 1o0h s MET 13 CO 0.00 0.30 0.54 -3.47 -0.01 0.00 0.00 175.02 172.38 1o0h n ASP 14 N 3.45 -0.81 0.28 3.03 2.03 -0.09 -4.81 116.55 119.64 1o0h n ASP 14 Ca -0.17 -2.70 0.18 0.00 0.52 0.00 0.00 54.79 52.62 1o0h n ASP 14 Cb 0.52 -0.04 0.74 0.00 -0.72 0.00 0.00 41.12 41.62 1o0h n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1o0h h SER 15 N 4.59 0.00 -0.97 1.67 0.02 -1.75 -3.33 113.55 113.78 1o0h h SER 15 Ca 0.10 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.32 1o0h h SER 15 Cb 0.93 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.37 1o0h h SER 15 CO 0.37 0.00 2.62 -1.20 -1.14 0.00 0.00 176.83 177.49 1o0h n SER 16 N -3.06 7.74 -3.65 3.07 7.64 -1.26 -4.54 113.62 119.56 1o0h n SER 16 Ca 0.00 -3.04 -0.03 0.00 1.01 0.00 0.00 58.87 56.82 1o0h n SER 16 Cb 0.28 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.00 1o0h n SER 16 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1o0h s THR 17 N -0.35 0.00 0.00 0.44 -1.32 -1.25 -4.95 115.64 108.21 1o0h s THR 17 Ca 0.55 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 1o0h s THR 17 Cb 0.17 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1o0h s THR 17 CO -0.08 0.00 1.22 -1.20 -2.21 0.00 0.00 174.62 172.35 1o0h n SER 18 N 2.51 3.45 0.00 8.08 7.64 -1.26 -4.71 113.62 129.33 1o0h n SER 18 Ca -0.14 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1o0h n SER 18 Cb 0.57 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1o0h n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o0h n ALA 19 N 0.90 0.00 0.95 -0.43 0.00 -1.26 -4.96 120.51 115.71 1o0h n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o0h n ALA 19 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1o0h n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o0h n ALA 20 N -1.84 2.42 -1.09 0.00 0.00 -1.26 -4.87 120.51 113.87 1o0h n ALA 20 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.94 1o0h n ALA 20 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 1o0h n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1o0h n SER 21 N 0.05 0.68 -4.72 0.00 7.64 -1.26 -4.95 113.62 111.06 1o0h n SER 21 Ca 0.00 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.23 1o0h n SER 21 Cb 0.25 -0.72 0.15 0.00 -1.01 0.00 0.00 64.21 62.88 1o0h n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1o0h s SER 22 N 4.36 3.11 0.47 6.43 1.04 -1.26 -4.83 113.70 123.02 1o0h s SER 22 Ca 0.95 1.01 0.32 0.00 0.48 0.00 0.00 55.95 58.70 1o0h s SER 22 Cb -1.21 -1.60 1.69 0.00 0.10 0.00 0.00 66.02 65.00 1o0h s SER 22 CO 0.56 -2.81 1.97 0.77 0.98 0.00 0.00 173.24 174.71 1o0h h SER 23 N -1.67 0.00 -0.38 7.02 4.64 -1.93 -0.42 113.55 120.81 1o0h h SER 23 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1o0h h SER 23 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1o0h h SER 23 CO 0.60 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.15 1o0h n ASN 24 N -2.63 3.44 -0.08 4.97 3.02 -1.26 -4.44 115.26 118.28 1o0h n ASN 24 Ca -0.02 -1.98 -0.06 0.00 -0.03 0.00 0.00 54.58 52.48 1o0h n ASN 24 Cb 0.07 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1o0h n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1o0h h TYR 25 N 4.40 -0.20 -0.59 3.10 3.20 -1.39 -1.76 116.97 123.74 1o0h h TYR 25 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1o0h h TYR 25 Cb 0.98 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1o0h h TYR 25 CO 0.24 -0.15 -0.04 0.00 -1.64 0.00 0.00 178.16 176.58 1o0h h ASN 27 N 0.96 0.59 -0.01 0.00 2.35 -1.69 0.29 115.58 118.08 1o0h h ASN 27 Ca 0.16 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1o0h h ASN 27 Cb 0.60 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1o0h h ASN 27 CO 0.04 0.38 -0.07 1.56 -1.65 0.00 0.00 177.43 177.69 1o0h h GLN 28 N 0.73 0.07 -0.50 0.81 4.20 -0.91 -3.26 115.11 116.24 1o0h h GLN 28 Ca 0.31 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 1o0h h GLN 28 Cb 0.19 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1o0h h GLN 28 CO -0.18 0.72 -0.08 0.52 -0.67 0.00 0.00 178.83 179.14 1o0h h MET 29 N -0.57 0.94 -0.45 1.46 2.86 -0.25 -0.67 114.93 118.24 1o0h h MET 29 Ca -0.00 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1o0h h MET 29 Cb 0.74 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1o0h h MET 29 CO 0.01 1.00 0.23 0.52 1.06 0.00 0.00 176.91 179.74 1o0h h MET 30 N 0.80 0.62 0.15 1.72 2.86 -1.07 -0.37 114.93 119.64 1o0h h MET 30 Ca 0.13 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 1o0h h MET 30 Cb 0.63 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 32.19 1o0h h MET 30 CO 0.04 0.47 -0.99 1.57 1.06 0.00 0.00 176.91 179.06 1o0h h LYS 31 N 0.63 0.31 -0.31 1.72 2.10 -1.56 0.21 116.57 119.67 1o0h h LYS 31 Ca 0.16 -0.53 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1o0h h LYS 31 Cb 0.04 0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 1o0h h LYS 31 CO -0.02 1.25 0.14 0.66 -2.00 0.00 0.00 179.45 179.48 1o0h h SER 32 N -0.32 0.38 -0.36 7.07 4.64 -0.90 -1.00 113.55 123.05 1o0h h SER 32 Ca -0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1o0h h SER 32 Cb 1.71 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1o0h h SER 32 CO 0.14 0.33 0.00 0.54 -0.87 0.00 0.00 176.83 176.98 1o0h n ARG 33 N -4.43 1.88 -2.84 4.77 5.12 -0.17 -4.94 116.66 116.06 1o0h n ARG 33 Ca 0.02 -1.31 -0.17 0.00 -1.93 0.00 0.00 57.85 54.45 1o0h n ARG 33 Cb 0.12 -1.30 0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1o0h n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1o0h n ASN 34 N 0.55 -5.12 -0.98 0.55 3.02 -0.38 -4.82 115.26 108.08 1o0h n ASN 34 Ca 0.12 -0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1o0h n ASN 34 Cb 0.32 -3.97 0.27 0.00 -0.61 0.00 0.00 39.78 35.78 1o0h n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1o0h n LEU 35 N -3.17 2.90 -1.60 3.41 4.77 0.06 -4.14 117.00 119.24 1o0h n LEU 35 Ca -0.09 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1o0h n LEU 35 Cb 0.60 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1o0h n LEU 35 CO 0.36 0.65 0.14 0.35 -1.33 0.00 0.00 177.39 177.57 1o0h n THR 36 N 1.11 1.15 -0.06 -5.08 -2.24 -1.21 -2.86 114.28 105.09 1o0h n THR 36 Ca 0.19 -2.38 -0.07 0.00 -2.27 0.00 0.00 64.05 59.52 1o0h n THR 36 Cb 0.50 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 1o0h n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1o0h h LYS 37 N 1.47 0.00 0.00 -0.78 3.64 -1.91 -3.38 116.57 115.62 1o0h h LYS 37 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1o0h h LYS 37 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1o0h h LYS 37 CO 0.17 0.48 -0.82 -0.25 -2.27 0.00 0.00 179.45 176.76 1o0h n ASP 38 N -4.70 0.63 0.00 4.20 8.00 -1.26 -5.01 116.55 118.41 1o0h n ASP 38 Ca -0.05 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1o0h n ASP 38 Cb 0.23 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1o0h n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1o0h n ARG 39 N -1.91 -3.00 -3.11 -1.24 1.85 -1.26 -5.11 116.66 102.89 1o0h n ARG 39 Ca 0.03 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.45 1o0h n ARG 39 Cb 0.42 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.76 1o0h n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1o0h s LYS 41 N 2.80 4.15 0.18 0.00 2.20 -1.14 -4.89 119.74 123.04 1o0h s LYS 41 Ca 0.23 2.55 -0.13 0.00 -0.36 0.00 0.00 55.97 58.26 1o0h s LYS 41 Cb -0.14 -3.70 0.15 0.00 -1.51 0.00 0.00 37.83 32.62 1o0h s LYS 41 CO 0.18 -0.85 1.76 -1.35 -0.36 0.00 0.00 175.35 174.74 1o0h h PRO 42 N 8.93 0.40 -3.64 4.03 0.11 -1.94 -3.43 132.00 136.46 1o0h h PRO 42 Ca -0.46 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1o0h h PRO 42 Cb 1.22 -0.09 -0.25 0.00 0.11 0.00 0.00 31.00 31.99 1o0h h PRO 42 CO 0.94 0.26 -0.62 0.54 -0.21 0.00 0.00 178.00 178.91 1o0h s VAL 43 N -6.13 0.04 -0.27 3.15 0.11 -1.26 -0.92 120.40 115.11 1o0h s VAL 43 Ca -0.13 -0.32 -0.23 0.00 -2.93 0.00 0.00 61.98 58.37 1o0h s VAL 43 Cb 0.14 -0.20 0.08 0.00 -1.53 0.00 0.00 36.38 34.87 1o0h s VAL 43 CO 0.73 -0.18 0.75 0.21 -3.33 0.00 0.00 175.10 173.28 1o0h s ASN 44 N -0.54 -0.76 -0.08 3.54 2.47 -0.55 -5.01 114.94 114.01 1o0h s ASN 44 Ca -0.06 1.39 0.01 0.00 0.42 0.00 0.00 52.86 54.62 1o0h s ASN 44 Cb -0.04 1.38 -0.03 0.00 -1.45 0.00 0.00 41.25 41.12 1o0h s ASN 44 CO 0.00 -0.23 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.16 1o0h s THR 45 N 0.69 3.46 -0.09 -5.21 2.01 -1.26 -0.83 115.64 114.41 1o0h s THR 45 Ca -0.02 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1o0h s THR 45 Cb -0.05 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1o0h s THR 45 CO -0.05 0.58 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.07 1o0h s PHE 46 N -0.57 3.07 -0.17 4.92 0.08 0.13 -4.39 117.98 121.05 1o0h s PHE 46 Ca 0.08 0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 1o0h s PHE 46 Cb -0.12 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1o0h s PHE 46 CO 0.02 0.33 -0.02 0.08 -0.10 0.00 0.00 175.22 175.53 1o0h s VAL 47 N -0.63 3.95 -0.87 -0.44 1.01 0.14 -0.42 120.40 123.15 1o0h s VAL 47 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1o0h s VAL 47 Cb -0.12 -2.75 0.31 0.00 0.00 0.00 0.00 36.38 33.83 1o0h s VAL 47 CO 0.02 0.48 1.37 1.41 0.00 0.00 0.00 175.10 178.38 1o0h n HIS 48 N 3.68 3.12 -4.26 5.22 -0.00 0.95 -0.91 115.22 123.02 1o0h n HIS 48 Ca -0.17 -3.17 -0.14 0.00 -0.00 0.00 0.00 57.72 54.23 1o0h n HIS 48 Cb 0.52 -0.93 -0.10 0.00 -0.00 0.00 0.00 29.99 29.48 1o0h n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1o0h s GLU 49 N -3.51 1.24 0.79 -0.41 0.41 -1.26 -4.41 118.70 111.54 1o0h s GLU 49 Ca 0.40 -1.64 -0.12 0.00 -0.41 0.00 0.00 54.97 53.20 1o0h s GLU 49 Cb 0.18 -0.16 0.07 0.00 -1.78 0.00 0.00 34.13 32.44 1o0h s GLU 49 CO -0.06 -0.24 1.15 -1.54 -0.49 0.00 0.00 175.26 174.07 1o0h s SER 50 N -3.22 4.01 0.18 -0.19 1.04 -1.26 -4.31 113.70 109.94 1o0h s SER 50 Ca 0.32 2.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.74 1o0h s SER 50 Cb 0.07 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.71 1o0h s SER 50 CO 0.09 -2.38 1.83 0.25 0.98 0.00 0.00 173.24 174.02 1o0h h LEU 51 N -0.94 0.67 -0.83 2.42 5.85 -1.99 -2.28 115.31 118.21 1o0h h LEU 51 Ca -0.45 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1o0h h LEU 51 Cb 1.26 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1o0h h LEU 51 CO 0.48 0.51 0.54 0.00 -0.34 0.00 0.00 178.44 179.62 1o0h h ALA 52 N 1.20 1.10 -0.56 1.25 0.00 -1.99 0.32 119.26 120.58 1o0h h ALA 52 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1o0h h ALA 52 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1o0h h ALA 52 CO -0.04 0.37 0.06 -0.44 0.00 0.00 0.00 179.25 179.20 1o0h h ASP 53 N 1.05 0.87 -0.07 0.00 3.32 -1.83 -0.89 116.42 118.87 1o0h h ASP 53 Ca 0.33 -0.20 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 1o0h h ASP 53 Cb 0.00 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1o0h h ASP 53 CO -0.11 0.90 -0.75 0.58 -1.72 0.00 0.00 179.24 178.14 1o0h h VAL 54 N 0.86 1.33 -0.11 -1.35 2.07 -0.86 -3.08 116.25 115.10 1o0h h VAL 54 Ca 0.17 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 1o0h h VAL 54 Cb 0.43 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1o0h h VAL 54 CO 0.01 0.62 0.03 1.56 0.02 0.00 0.00 177.57 179.81 1o0h h GLN 55 N 0.28 0.15 0.00 1.57 4.20 -0.83 -1.70 115.11 118.77 1o0h h GLN 55 Ca -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1o0h h GLN 55 Cb 1.41 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 1o0h h GLN 55 CO 0.15 0.14 -0.05 0.00 -0.67 0.00 0.00 178.83 178.40 1o0h h ALA 56 N 1.88 1.07 0.00 3.87 0.00 -1.07 -2.60 119.26 122.41 1o0h h ALA 56 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1o0h h ALA 56 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1o0h h ALA 56 CO -0.00 0.07 -0.02 0.28 0.00 0.00 0.00 179.25 179.57 1o0h h VAL 57 N 0.00 0.54 0.00 0.00 2.07 -1.33 -1.48 116.25 116.05 1o0h h VAL 57 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1o0h h VAL 57 Cb 0.38 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1o0h h VAL 57 CO 0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1o0h n SER 59 N -1.77 2.74 -0.06 0.00 3.41 -0.56 -5.00 113.62 112.38 1o0h n SER 59 Ca 0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1o0h n SER 59 Cb 0.07 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1o0h n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o0h n GLN 60 N 0.49 3.23 -2.55 4.33 6.02 -0.12 -4.99 117.38 123.79 1o0h n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1o0h n GLN 60 Cb 0.40 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.63 1o0h n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1o0h s LYS 61 N 4.22 3.88 0.00 -1.09 2.20 -0.90 -4.83 119.74 123.22 1o0h s LYS 61 Ca 0.00 0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 1o0h s LYS 61 Cb 0.00 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 1o0h s LYS 61 CO 0.00 -1.17 1.35 1.21 -0.36 0.00 0.00 175.35 176.38 1o0h s ASN 62 N 2.40 6.90 0.05 1.43 3.04 -1.26 -0.32 114.94 127.17 1o0h s ASN 62 Ca 0.50 2.07 0.02 0.00 0.04 0.00 0.00 52.86 55.50 1o0h s ASN 62 Cb -0.12 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 37.00 1o0h s ASN 62 CO 0.24 -0.68 -0.08 0.68 -3.04 0.00 0.00 177.10 174.23 1o0h s VAL 63 N 2.19 0.57 0.39 -5.21 -7.23 -0.40 -4.93 120.40 105.80 1o0h s VAL 63 Ca 0.62 -1.18 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 1o0h s VAL 63 Cb -0.31 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 35.79 1o0h s VAL 63 CO 0.26 -0.43 1.48 0.00 -0.31 0.00 0.00 175.10 176.10 1o0h s ALA 64 N -1.63 3.50 0.49 1.32 0.00 -1.26 -3.78 121.76 120.41 1o0h s ALA 64 Ca -0.07 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 1o0h s ALA 64 Cb -0.08 -3.61 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 1o0h s ALA 64 CO -0.00 -1.09 0.96 0.00 0.00 0.00 0.00 175.76 175.63 1o0h h LYS 66 N 1.16 0.39 -0.01 0.00 1.57 -1.92 0.05 116.57 117.81 1o0h h LYS 66 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1o0h h LYS 66 Cb 1.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1o0h h LYS 66 CO 0.62 0.26 0.00 0.27 -0.57 0.00 0.00 179.45 180.02 1o0h n ASN 67 N -4.47 0.50 0.00 0.86 6.94 -1.26 -4.92 115.26 112.92 1o0h n ASN 67 Ca 0.13 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 1o0h n ASN 67 Cb 0.48 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1o0h n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1o0h n GLY 68 N 1.04 0.85 3.68 4.83 0.00 0.00 -5.06 105.19 110.53 1o0h n GLY 68 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1o0h n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o0h s GLN 69 N -0.71 0.71 -0.11 1.61 -0.21 -1.26 -4.76 119.66 114.92 1o0h s GLN 69 Ca 0.00 0.74 0.15 0.00 0.02 0.00 0.00 55.36 56.27 1o0h s GLN 69 Cb 0.00 -1.75 0.51 0.00 1.00 0.00 0.00 33.01 32.77 1o0h s GLN 69 CO 0.00 -2.60 1.43 0.25 -2.12 0.00 0.00 175.29 172.25 1o0h n THR 70 N -4.12 1.83 -1.36 -0.19 -2.24 -1.26 -2.05 114.28 104.89 1o0h n THR 70 Ca 0.06 -1.45 -0.22 0.00 -2.27 0.00 0.00 64.05 60.18 1o0h n THR 70 Cb 0.56 0.06 0.15 0.00 -2.10 0.00 0.00 70.33 69.00 1o0h n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1o0h n ASN 71 N 0.20 4.37 -4.68 3.42 6.94 -1.26 -4.86 115.26 119.38 1o0h n ASN 71 Ca 0.20 -3.71 -0.30 0.00 -0.02 0.00 0.00 54.58 50.75 1o0h n ASN 71 Cb 0.76 -0.79 -0.08 0.00 -2.36 0.00 0.00 39.78 37.31 1o0h n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1o0h s TYR 73 N -1.33 -0.07 -0.14 0.00 1.51 -0.02 -1.27 117.35 116.03 1o0h s TYR 73 Ca 0.26 0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 56.50 1o0h s TYR 73 Cb -0.12 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 1o0h s TYR 73 CO 0.18 -0.09 0.08 -1.14 -1.11 0.00 0.00 175.55 173.47 1o0h s GLN 74 N 0.64 3.59 0.28 -0.62 0.74 0.56 -1.47 119.66 123.38 1o0h s GLN 74 Ca -0.05 -0.28 -0.29 0.00 0.05 0.00 0.00 55.36 54.79 1o0h s GLN 74 Cb -0.07 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 1o0h s GLN 74 CO -0.02 0.54 1.32 -1.54 -0.55 0.00 0.00 175.29 175.03 1o0h s SER 75 N -0.38 6.81 0.19 6.67 1.04 -0.15 -2.11 113.70 125.77 1o0h s SER 75 Ca 0.10 2.59 -0.06 0.00 0.48 0.00 0.00 55.95 59.06 1o0h s SER 75 Cb -0.12 -2.63 0.11 0.00 0.10 0.00 0.00 66.02 63.48 1o0h s SER 75 CO 0.02 -0.54 1.57 1.88 0.98 0.00 0.00 173.24 177.15 1o0h h TYR 76 N 4.17 0.93 -2.91 5.02 0.05 -1.96 -3.43 116.97 118.84 1o0h h TYR 76 Ca -0.47 -0.24 -0.54 0.00 0.05 0.00 0.00 58.73 57.53 1o0h h TYR 76 Cb 1.22 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 1o0h h TYR 76 CO 0.58 1.00 -0.31 -1.12 -1.05 0.00 0.00 178.16 177.26 1o0h s SER 77 N -6.80 6.40 0.57 3.88 0.01 -1.26 -5.05 113.70 111.46 1o0h s SER 77 Ca -0.10 0.45 -0.16 0.00 1.31 0.00 0.00 55.95 57.45 1o0h s SER 77 Cb 0.12 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 1o0h s SER 77 CO 0.85 -0.06 1.04 0.42 0.41 0.00 0.00 173.24 175.91 1o0h s THR 78 N -1.88 3.95 0.07 1.44 -4.23 -1.26 -4.54 115.64 109.19 1o0h s THR 78 Ca 0.39 0.94 0.05 0.00 -1.18 0.00 0.00 61.69 61.90 1o0h s THR 78 Cb -0.11 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 1o0h s THR 78 CO 0.29 -0.53 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.66 1o0h s MET 79 N -4.03 0.85 -0.05 3.99 -1.94 0.64 -4.87 119.30 113.90 1o0h s MET 79 Ca 0.63 -0.95 -0.30 0.00 -1.71 0.00 0.00 55.69 53.36 1o0h s MET 79 Cb -0.15 -0.88 -0.05 0.00 2.01 0.00 0.00 34.83 35.77 1o0h s MET 79 CO 0.35 0.20 1.42 0.45 -0.01 0.00 0.00 175.02 177.43 1o0h s SER 80 N -1.69 6.84 0.12 3.03 0.15 -1.26 -1.66 113.70 119.22 1o0h s SER 80 Ca -0.01 2.04 -0.00 0.00 0.70 0.00 0.00 55.95 58.68 1o0h s SER 80 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1o0h s SER 80 CO 0.02 -0.77 0.01 0.27 1.20 0.00 0.00 173.24 173.98 1o0h s ILE 81 N 2.99 0.29 -0.07 6.45 -4.36 -0.14 -0.03 121.20 126.32 1o0h s ILE 81 Ca 0.64 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1o0h s ILE 81 Cb -0.29 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1o0h s ILE 81 CO 0.24 -0.63 -0.04 -0.89 0.24 0.00 0.00 174.94 173.86 1o0h s THR 82 N -3.91 0.62 -0.05 8.37 2.01 0.44 -1.06 115.64 122.07 1o0h s THR 82 Ca 0.19 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1o0h s THR 82 Cb 0.07 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1o0h s THR 82 CO -0.01 0.28 0.41 -1.81 -0.69 0.00 0.00 174.62 172.80 1o0h s ASP 83 N 1.54 6.73 -0.14 3.53 1.01 -0.07 -0.70 116.67 128.57 1o0h s ASP 83 Ca -0.01 0.87 0.02 0.00 0.71 0.00 0.00 52.55 54.14 1o0h s ASP 83 Cb -0.13 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1o0h s ASP 83 CO -0.04 0.22 -0.19 0.00 0.21 0.00 0.00 175.17 175.37 1o0h s ARG 85 N 0.75 0.47 0.22 0.00 3.52 -0.87 -1.49 118.95 121.56 1o0h s ARG 85 Ca -0.08 0.11 -0.32 0.00 -0.13 0.00 0.00 55.73 55.32 1o0h s ARG 85 Cb -0.16 -1.01 -0.14 0.00 -1.56 0.00 0.00 34.95 32.08 1o0h s ARG 85 CO 0.00 -0.35 1.32 -1.91 -0.81 0.00 0.00 175.30 173.56 1o0h n GLU 86 N 5.17 1.76 -1.60 5.12 2.13 -0.10 -1.04 120.64 132.08 1o0h n GLU 86 Ca -0.06 0.63 -0.32 0.00 0.66 0.00 0.00 57.16 58.06 1o0h n GLU 86 Cb 0.50 -2.23 0.05 0.00 0.27 0.00 0.00 31.44 30.03 1o0h n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1o0h s THR 87 N -0.14 3.67 0.57 6.31 -4.23 0.08 -4.80 115.64 117.11 1o0h s THR 87 Ca 0.69 0.62 0.26 0.00 -1.18 0.00 0.00 61.69 62.09 1o0h s THR 87 Cb -0.71 -3.21 0.33 0.00 1.34 0.00 0.00 72.50 70.25 1o0h s THR 87 CO 0.51 -0.63 2.23 1.23 -0.54 0.00 0.00 174.62 177.42 1o0h h GLY 88 N -0.49 0.00 -2.16 3.99 0.00 -1.92 -2.26 103.07 100.23 1o0h h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1o0h h GLY 88 CO 0.55 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 1o0h n SER 89 N -4.01 3.65 -4.71 0.19 3.41 -1.26 -4.98 113.62 105.90 1o0h n SER 89 Ca -0.03 -2.07 -0.42 0.00 -0.26 0.00 0.00 58.87 56.09 1o0h n SER 89 Cb 0.08 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1o0h n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1o0h s SER 90 N -1.02 6.65 -0.25 4.04 0.15 -0.85 -4.98 113.70 117.44 1o0h s SER 90 Ca 0.39 2.51 -0.00 0.00 0.70 0.00 0.00 55.95 59.56 1o0h s SER 90 Cb 0.21 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1o0h s SER 90 CO 0.25 -0.79 0.00 -0.54 1.20 0.00 0.00 173.24 173.36 1o0h s LYS 91 N 1.42 1.23 0.36 5.44 -0.14 -1.01 -4.89 119.74 122.15 1o0h s LYS 91 Ca 0.69 -0.96 -0.27 0.00 -1.36 0.00 0.00 55.97 54.08 1o0h s LYS 91 Cb -0.41 -2.43 -0.12 0.00 -1.68 0.00 0.00 37.83 33.19 1o0h s LYS 91 CO 0.31 -0.71 1.11 0.98 -0.76 0.00 0.00 175.35 176.28 1o0h n TYR 92 N 4.75 1.58 1.64 3.18 9.36 -1.26 0.94 117.16 137.36 1o0h n TYR 92 Ca -0.08 0.60 0.14 0.00 3.32 0.00 0.00 57.90 61.88 1o0h n TYR 92 Cb 0.44 -2.30 0.81 0.00 -0.63 0.00 0.00 39.34 37.66 1o0h n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1o0h n PRO 93 N 0.44 0.72 -2.03 2.98 -0.04 -1.26 -4.95 135.00 130.87 1o0h n PRO 93 Ca 0.08 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1o0h n PRO 93 Cb 0.36 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1o0h n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o0h n ASN 94 N -1.11 4.21 -4.69 3.54 4.13 0.27 -4.95 115.26 116.66 1o0h n ASN 94 Ca 0.19 -2.86 -0.42 0.00 1.68 0.00 0.00 54.58 53.16 1o0h n ASN 94 Cb 0.15 -1.68 -0.03 0.00 -1.54 0.00 0.00 39.78 36.68 1o0h n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o0h s ALA 96 N 2.35 1.86 0.04 0.00 0.00 -1.26 -4.90 121.76 119.85 1o0h s ALA 96 Ca 0.62 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1o0h s ALA 96 Cb -0.29 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1o0h s ALA 96 CO 0.25 0.45 -0.07 0.71 0.00 0.00 0.00 175.76 177.10 1o0h s TYR 97 N -0.51 0.64 -0.10 0.00 1.51 -1.26 -0.74 117.35 116.89 1o0h s TYR 97 Ca 0.08 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.46 1o0h s TYR 97 Cb -0.09 -0.39 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1o0h s TYR 97 CO -0.01 -0.09 0.43 0.21 -1.11 0.00 0.00 175.55 174.98 1o0h s LYS 98 N -1.61 4.25 -0.23 -0.62 2.20 -0.20 -4.62 119.74 118.91 1o0h s LYS 98 Ca -0.10 0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.80 1o0h s LYS 98 Cb -0.10 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1o0h s LYS 98 CO 0.00 0.27 0.14 0.99 -0.36 0.00 0.00 175.35 176.39 1o0h s THR 99 N 0.28 5.22 -0.17 3.43 2.01 -1.26 -2.05 115.64 123.10 1o0h s THR 99 Ca 0.24 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 1o0h s THR 99 Cb -0.15 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.00 1o0h s THR 99 CO 0.10 0.38 0.03 -0.89 -0.69 0.00 0.00 174.62 173.55 1o0h s THR 100 N 0.88 0.46 0.35 -0.82 2.01 -0.47 -4.96 115.64 113.08 1o0h s THR 100 Ca 0.07 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1o0h s THR 100 Cb -0.13 -0.91 -0.10 0.00 0.01 0.00 0.00 72.50 71.37 1o0h s THR 100 CO 0.03 -0.13 0.96 -1.10 -0.69 0.00 0.00 174.62 173.69 1o0h s GLN 101 N 1.90 4.50 0.25 4.92 -1.52 -1.26 -0.89 119.66 127.55 1o0h s GLN 101 Ca 0.00 1.32 -0.20 0.00 -1.95 0.00 0.00 55.36 54.54 1o0h s GLN 101 Cb -0.16 -2.69 0.02 0.00 -0.22 0.00 0.00 33.01 29.96 1o0h s GLN 101 CO -0.08 0.20 0.65 0.00 -0.25 0.00 0.00 175.29 175.81 1o0h s ALA 102 N -1.70 -1.09 -0.31 6.09 0.00 -0.22 -4.96 121.76 119.57 1o0h s ALA 102 Ca 0.53 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1o0h s ALA 102 Cb -0.18 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.92 1o0h s ALA 102 CO 0.23 -0.96 0.04 -0.80 0.00 0.00 0.00 175.76 174.27 1o0h s ASN 103 N -2.91 4.35 0.12 0.00 0.01 -1.26 -0.97 114.94 114.29 1o0h s ASN 103 Ca 0.11 -1.78 -0.02 0.00 -0.71 0.00 0.00 52.86 50.47 1o0h s ASN 103 Cb -0.04 -1.31 -0.04 0.00 0.41 0.00 0.00 41.25 40.28 1o0h s ASN 103 CO 0.04 -0.35 0.07 -0.54 -1.51 0.00 0.00 177.10 174.81 1o0h s LYS 104 N 1.22 0.91 0.20 -0.60 1.02 -0.66 -4.79 119.74 117.04 1o0h s LYS 104 Ca 0.06 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1o0h s LYS 104 Cb -0.18 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.30 1o0h s LYS 104 CO -0.13 -0.26 1.10 -1.01 -0.92 0.00 0.00 175.35 174.13 1o0h s HIS 105 N -4.02 3.60 0.13 3.18 3.76 -0.42 -0.26 115.29 121.27 1o0h s HIS 105 Ca 0.20 1.63 0.02 0.00 -0.15 0.00 0.00 55.06 56.76 1o0h s HIS 105 Cb 0.07 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1o0h s HIS 105 CO -0.00 -0.57 0.27 0.96 -0.85 0.00 0.00 174.74 174.54 1o0h s ILE 106 N -0.47 5.33 -0.16 0.60 -4.36 -1.26 -0.73 121.20 120.16 1o0h s ILE 106 Ca 0.48 -0.60 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 1o0h s ILE 106 Cb -0.30 -3.72 0.02 0.00 1.25 0.00 0.00 42.46 39.72 1o0h s ILE 106 CO 0.36 -0.04 -0.14 -0.63 0.24 0.00 0.00 174.94 174.73 1o0h s ILE 107 N -1.69 1.65 0.16 8.37 1.01 0.44 -0.98 121.20 130.16 1o0h s ILE 107 Ca 0.35 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.36 1o0h s ILE 107 Cb -0.11 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1o0h s ILE 107 CO 0.28 0.43 -0.20 0.68 0.00 0.00 0.00 174.94 176.14 1o0h s VAL 108 N 1.45 1.92 -0.11 2.92 -7.23 -0.54 -0.51 120.40 118.30 1o0h s VAL 108 Ca 0.04 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1o0h s VAL 108 Cb -0.13 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1o0h s VAL 108 CO -0.11 -0.24 0.10 0.00 -0.31 0.00 0.00 175.10 174.55 1o0h s ALA 109 N -1.84 3.70 0.12 1.32 0.00 -0.07 -0.84 121.76 124.15 1o0h s ALA 109 Ca 0.15 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.52 1o0h s ALA 109 Cb -0.07 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1o0h s ALA 109 CO 0.07 0.61 -0.26 0.00 0.00 0.00 0.00 175.76 176.19 1o0h s GLU 111 N -1.95 1.23 0.21 0.00 2.02 -0.72 -4.88 118.70 114.60 1o0h s GLU 111 Ca 0.12 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1o0h s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1o0h s GLU 111 CO 0.05 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.27 1o0h n GLY 112 N -0.25 -2.74 2.59 -1.39 0.00 -1.26 -2.15 105.19 99.99 1o0h n GLY 112 Ca -0.08 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1o0h n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o0h s ASN 113 N -2.27 2.68 0.71 1.61 2.47 -1.26 -2.74 114.94 116.13 1o0h s ASN 113 Ca 0.00 -0.80 -0.15 0.00 0.42 0.00 0.00 52.86 52.32 1o0h s ASN 113 Cb 0.00 -0.26 0.03 0.00 -1.45 0.00 0.00 41.25 39.57 1o0h s ASN 113 CO 0.00 -0.38 1.19 -2.16 -3.72 0.00 0.00 177.10 172.03 1o0h s PRO 114 N 2.13 2.29 -0.52 0.43 0.04 -1.26 -5.10 135.00 133.01 1o0h s PRO 114 Ca 0.04 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1o0h s PRO 114 Cb -0.16 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1o0h s PRO 114 CO -0.17 -1.71 1.05 -0.47 0.04 0.00 0.00 177.00 175.74 1o0h s TYR 115 N -2.03 2.77 0.14 0.56 5.04 -1.11 -4.88 117.35 117.84 1o0h s TYR 115 Ca 0.73 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.72 1o0h s TYR 115 Cb -0.28 -4.26 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 1o0h s TYR 115 CO 0.44 -1.35 -0.01 0.14 -1.34 0.00 0.00 175.55 173.43 1o0h s VAL 116 N 4.32 0.56 0.26 3.14 -7.23 -0.91 -4.88 120.40 115.65 1o0h s VAL 116 Ca 0.39 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 1o0h s VAL 116 Cb -0.09 -1.95 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 1o0h s VAL 116 CO 0.25 -0.62 1.37 -2.84 -0.31 0.00 0.00 175.10 172.95 1o0h s PRO 117 N -3.91 4.33 0.00 4.82 0.02 -1.26 -1.75 135.00 137.24 1o0h s PRO 117 Ca 0.20 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1o0h s PRO 117 Cb 0.06 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1o0h s PRO 117 CO 0.00 -0.31 0.02 1.33 -0.33 0.00 0.00 177.00 177.71 1o0h n VAL 118 N 2.01 0.00 -3.71 3.83 0.24 0.01 -4.44 118.33 116.27 1o0h n VAL 118 Ca 0.05 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1o0h n VAL 118 Cb 0.41 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 1o0h n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1o0h s HIS 119 N -0.54 -0.54 -0.35 6.34 5.65 -1.12 -4.68 115.29 120.06 1o0h s HIS 119 Ca 0.00 1.27 -0.16 0.00 0.25 0.00 0.00 55.06 56.42 1o0h s HIS 119 Cb 0.00 0.20 -0.01 0.00 -1.18 0.00 0.00 32.58 31.59 1o0h s HIS 119 CO 0.00 -0.27 0.40 0.12 -0.65 0.00 0.00 174.74 174.35 1o0h s PHE 120 N 0.47 3.20 -0.16 3.88 5.36 -1.26 -0.89 117.98 128.57 1o0h s PHE 120 Ca -0.02 0.00 -0.11 0.00 -0.96 0.00 0.00 56.93 55.84 1o0h s PHE 120 Cb -0.04 -2.74 -0.23 0.00 -0.34 0.00 0.00 43.02 39.66 1o0h s PHE 120 CO -0.02 -0.47 0.28 -3.47 -1.46 0.00 0.00 175.22 170.08 1o0h n ASP 121 N 5.48 2.04 -3.62 6.13 2.03 0.34 -4.96 116.55 123.99 1o0h n ASP 121 Ca -0.08 0.27 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 1o0h n ASP 121 Cb 0.49 -0.88 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 1o0h n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1o0h s ALA 122 N -2.50 -2.13 0.05 -1.67 0.00 -1.03 -4.95 121.76 109.54 1o0h s ALA 122 Ca -0.25 0.97 0.08 0.00 0.00 0.00 0.00 51.96 52.76 1o0h s ALA 122 Cb 0.07 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1o0h s ALA 122 CO 0.70 -0.89 -0.22 -1.54 0.00 0.00 0.00 175.76 173.81 1o0h s SER 123 N -2.69 2.64 0.00 0.00 1.04 -1.26 -0.42 113.70 113.01 1o0h s SER 123 Ca 0.12 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1o0h s SER 123 Cb 0.02 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1o0h s SER 123 CO -0.04 0.17 0.06 1.33 0.98 0.00 0.00 173.24 175.74