#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsn s ASP 2 N 0.00 6.42 0.07 0.00 -0.00 -1.26 -5.09 116.67 116.82 3dsn s ASP 2 Ca 0.00 0.50 0.08 0.00 -0.00 0.00 0.00 52.55 53.13 3dsn s ASP 2 Cb 0.00 -2.22 -0.04 0.00 -0.00 0.00 0.00 42.92 40.67 3dsn s ASP 2 CO 0.00 -0.04 -0.19 -0.76 -0.00 0.00 0.00 175.17 174.17 3dsn s LEU 3 N 1.16 2.59 0.20 1.23 1.43 -1.26 -5.15 118.68 118.90 3dsn s LEU 3 Ca 0.18 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3dsn s LEU 3 Cb -0.14 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3dsn s LEU 3 CO 0.07 0.22 -0.15 0.42 0.23 0.00 0.00 176.35 177.15 3dsn s THR 4 N -1.01 1.77 0.30 5.49 -4.23 -1.26 -5.15 115.64 111.56 3dsn s THR 4 Ca 0.16 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 3dsn s THR 4 Cb -0.10 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3dsn s THR 4 CO 0.07 -0.56 0.53 0.00 -0.54 0.00 0.00 174.62 174.12 3dsn s ALA 5 N -2.86 0.02 0.07 3.99 0.00 -1.26 -5.19 121.76 116.53 3dsn s ALA 5 Ca 0.22 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3dsn s ALA 5 Cb -0.01 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.15 3dsn s ALA 5 CO 0.07 -0.86 0.28 -1.54 0.00 0.00 0.00 175.76 173.71 3dsn s SER 6 N -3.10 -0.06 -0.05 0.00 1.04 -1.26 -5.17 113.70 105.10 3dsn s SER 6 Ca 0.24 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 56.06 3dsn s SER 6 Cb -0.01 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.53 3dsn s SER 6 CO 0.13 -0.68 0.56 0.12 0.98 0.00 0.00 173.24 174.35 3dsn s PHE 7 N -3.14 -0.51 -0.53 5.02 5.36 -1.26 -5.11 117.98 117.81 3dsn s PHE 7 Ca -0.01 0.88 -0.21 0.00 -0.96 0.00 0.00 56.93 56.63 3dsn s PHE 7 Cb 0.01 0.30 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 3dsn s PHE 7 CO -0.07 -0.53 0.77 0.99 -1.46 0.00 0.00 175.22 174.92 3dsn s THR 8 N -1.16 4.65 0.39 0.12 2.01 -1.26 -5.04 115.64 115.36 3dsn s THR 8 Ca -0.11 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 3dsn s THR 8 Cb -0.02 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 3dsn s THR 8 CO 0.08 -0.96 1.37 0.00 -0.69 0.00 0.00 174.62 174.42 3dsn s ALA 9 N 3.24 3.38 0.07 7.40 0.00 -1.26 -5.04 121.76 129.54 3dsn s ALA 9 Ca 0.22 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.60 3dsn s ALA 9 Cb -0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3dsn s ALA 9 CO 0.15 -0.90 -0.17 0.95 0.00 0.00 0.00 175.76 175.78 3dsn s THR 10 N -1.19 1.40 0.00 0.00 -4.23 -1.26 -5.16 115.64 105.20 3dsn s THR 10 Ca 0.55 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 3dsn s THR 10 Cb -0.41 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.15 3dsn s THR 10 CO 0.54 -0.05 0.13 0.00 -0.54 0.00 0.00 174.62 174.71 3dsn s ALA 11 N -1.06 -0.31 -0.17 3.99 0.00 -1.26 -5.14 121.76 117.80 3dsn s ALA 11 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3dsn s ALA 11 Cb -0.09 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3dsn s ALA 11 CO 0.03 -0.21 -0.17 0.99 0.00 0.00 0.00 175.76 176.40 3dsn s THR 12 N -1.43 2.39 -0.06 0.00 2.01 -1.26 -5.12 115.64 112.18 3dsn s THR 12 Ca -0.15 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.03 3dsn s THR 12 Cb -0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3dsn s THR 12 CO 0.01 0.52 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.62 3dsn s LEU 13 N 1.13 3.11 0.07 4.42 1.43 -1.26 -5.13 118.68 122.45 3dsn s LEU 13 Ca 0.01 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 3dsn s LEU 13 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3dsn s LEU 13 CO -0.07 0.35 -0.20 0.68 0.23 0.00 0.00 176.35 177.34 3dsn s VAL 14 N -0.83 1.62 -0.37 -1.59 -7.23 -1.26 -5.12 120.40 105.63 3dsn s VAL 14 Ca 0.13 -1.35 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 3dsn s VAL 14 Cb -0.11 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 35.46 3dsn s VAL 14 CO 0.02 0.04 0.14 -0.70 -0.31 0.00 0.00 175.10 174.29 3dsn s GLU 15 N -1.55 2.38 1.01 4.82 2.56 -1.26 -5.11 118.70 121.55 3dsn s GLU 15 Ca 0.06 -1.45 -0.12 0.00 0.00 0.00 0.00 54.97 53.46 3dsn s GLU 15 Cb -0.09 -3.48 0.20 0.00 2.00 0.00 0.00 34.13 32.75 3dsn s GLU 15 CO 0.03 -0.83 1.08 -2.14 -0.56 0.00 0.00 175.26 172.83 3dsn s PRO 16 N 1.29 0.32 -0.42 4.30 0.02 -1.26 -5.01 135.00 134.24 3dsn s PRO 16 Ca 0.01 0.81 -0.14 0.00 0.02 0.00 0.00 61.00 61.71 3dsn s PRO 16 Cb -0.21 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 32.65 3dsn s PRO 16 CO -0.01 -2.88 0.30 0.00 -0.33 0.00 0.00 177.00 174.08 3dsn s ALA 17 N -2.77 3.44 -0.22 -1.55 0.00 -1.26 -5.03 121.76 114.37 3dsn s ALA 17 Ca 0.66 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 3dsn s ALA 17 Cb -0.21 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3dsn s ALA 17 CO 0.60 -1.53 0.07 1.03 0.00 0.00 0.00 175.76 175.93 3dsn s ARG 18 N 1.62 3.81 -0.11 0.00 0.52 -1.26 -5.08 118.95 118.45 3dsn s ARG 18 Ca 0.04 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 3dsn s ARG 18 Cb -0.21 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3dsn s ARG 18 CO 0.08 0.02 -0.18 0.42 0.02 0.00 0.00 175.30 175.65 3dsn s ILE 19 N 1.08 1.65 0.28 1.52 -1.09 -1.26 -2.09 121.20 121.30 3dsn s ILE 19 Ca 0.04 -0.75 0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3dsn s ILE 19 Cb -0.14 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 3dsn s ILE 19 CO 0.03 0.47 -0.15 0.42 -1.23 0.00 0.00 174.94 174.48 3dsn s THR 20 N 0.78 2.24 -0.16 2.92 -4.23 0.04 -4.95 115.64 112.27 3dsn s THR 20 Ca -0.10 -2.31 -0.07 0.00 -1.18 0.00 0.00 61.69 58.03 3dsn s THR 20 Cb -0.16 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.39 3dsn s THR 20 CO 0.01 -0.37 0.34 -0.22 -0.54 0.00 0.00 174.62 173.85 3dsn s LEU 21 N -3.50 -0.21 -0.14 4.79 2.96 -1.26 -1.41 118.68 119.92 3dsn s LEU 21 Ca 0.29 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 54.96 3dsn s LEU 21 Cb -0.02 1.07 -0.02 0.00 0.50 0.00 0.00 46.19 47.72 3dsn s LEU 21 CO 0.14 -0.21 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.98 3dsn s THR 22 N 1.97 3.41 -0.26 3.68 2.01 0.28 -4.95 115.64 121.77 3dsn s THR 22 Ca -0.05 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 3dsn s THR 22 Cb -0.11 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3dsn s THR 22 CO -0.11 0.51 0.03 -0.47 -0.69 0.00 0.00 174.62 173.89 3dsn s TYR 23 N 0.39 3.08 -0.42 4.92 5.04 -1.26 -0.36 117.35 128.74 3dsn s TYR 23 Ca -0.08 -0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 53.49 3dsn s TYR 23 Cb -0.15 -2.19 0.06 0.00 0.35 0.00 0.00 41.96 40.03 3dsn s TYR 23 CO 0.04 -0.55 0.28 0.21 -1.34 0.00 0.00 175.55 174.19 3dsn s LYS 24 N 1.49 2.78 0.13 4.97 2.20 0.09 -4.98 119.74 126.43 3dsn s LYS 24 Ca 0.04 -1.28 -0.35 0.00 -0.36 0.00 0.00 55.97 54.02 3dsn s LYS 24 Cb -0.16 -3.86 -0.16 0.00 -1.51 0.00 0.00 37.83 32.14 3dsn s LYS 24 CO 0.00 -0.88 1.27 0.39 -0.36 0.00 0.00 175.35 175.77 3dsn n GLU 25 N 5.03 1.20 -1.86 4.03 1.02 -1.26 -1.01 120.64 127.78 3dsn n GLU 25 Ca -0.11 0.43 -0.22 0.00 -0.02 0.00 0.00 57.16 57.23 3dsn n GLU 25 Cb 0.44 -2.01 0.14 0.00 -0.02 0.00 0.00 31.44 30.00 3dsn n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dsn n GLY 26 N 2.30 -0.58 3.43 0.62 0.00 -0.32 -4.86 105.19 105.78 3dsn n GLY 26 Ca 0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3dsn n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dsn n ALA 27 N -3.39 -2.33 -1.45 4.61 0.00 -1.26 -4.94 120.51 111.75 3dsn n ALA 27 Ca -0.16 -0.53 -0.32 0.00 0.00 0.00 0.00 53.44 52.42 3dsn n ALA 27 Cb 0.49 -1.82 0.06 0.00 0.00 0.00 0.00 19.45 18.18 3dsn n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dsn s PRO 28 N -3.50 2.71 -0.06 0.00 0.04 -1.26 -4.93 135.00 128.00 3dsn s PRO 28 Ca 0.59 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 3dsn s PRO 28 Cb -0.24 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3dsn s PRO 28 CO 0.65 -1.29 0.17 0.42 0.04 0.00 0.00 177.00 176.99 3dsn s ILE 29 N -2.75 5.46 -0.23 0.56 1.09 -1.26 -5.09 121.20 118.99 3dsn s ILE 29 Ca 0.62 0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 60.20 3dsn s ILE 29 Cb -0.17 -3.47 0.01 0.00 -1.06 0.00 0.00 42.46 37.76 3dsn s ILE 29 CO 0.50 0.48 -0.06 0.42 -0.10 0.00 0.00 174.94 176.18 3dsn s THR 30 N -1.17 3.11 -0.17 2.92 -4.23 -1.26 -5.09 115.64 109.76 3dsn s THR 30 Ca 0.21 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 3dsn s THR 30 Cb -0.12 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 3dsn s THR 30 CO 0.11 0.36 1.26 -0.63 -0.54 0.00 0.00 174.62 175.18 3dsn s ILE 31 N 1.42 4.29 -0.03 2.99 1.01 -1.26 -3.99 121.20 125.63 3dsn s ILE 31 Ca 0.04 1.55 -0.10 0.00 0.00 0.00 0.00 60.65 62.15 3dsn s ILE 31 Cb -0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3dsn s ILE 31 CO -0.04 -0.14 0.53 0.24 0.00 0.00 0.00 174.94 175.52 3dsn h MET 32 N 8.20 -0.34 0.00 2.79 2.86 -1.26 -3.47 114.93 123.70 3dsn h MET 32 Ca -0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3dsn h MET 32 Cb 1.10 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3dsn h MET 32 CO 0.97 -0.23 0.00 0.27 1.06 0.00 0.00 176.91 178.99 3dsn n ASN 34 N -4.10 0.00 0.00 1.22 0.23 -1.26 -4.97 115.26 106.38 3dsn n ASN 34 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 3dsn n ASN 34 Cb 0.14 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 3dsn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dsn n GLY 35 N -2.00 0.65 3.81 4.83 0.00 -1.26 -4.85 105.19 106.37 3dsn n GLY 35 Ca 0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3dsn n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dsn s ASN 36 N -2.67 5.93 0.33 1.61 0.01 -1.26 -3.02 114.94 115.86 3dsn s ASN 36 Ca 0.00 0.29 -0.08 0.00 -0.71 0.00 0.00 52.86 52.36 3dsn s ASN 36 Cb 0.00 -1.81 -0.06 0.00 0.41 0.00 0.00 41.25 39.79 3dsn s ASN 36 CO 0.00 0.35 0.65 0.27 -1.51 0.00 0.00 177.10 176.86 3dsn s ILE 37 N -1.08 4.89 0.42 0.60 -4.36 -1.26 -0.67 121.20 119.74 3dsn s ILE 37 Ca 0.18 0.40 -0.25 0.00 -0.26 0.00 0.00 60.65 60.72 3dsn s ILE 37 Cb -0.12 -3.71 -0.08 0.00 1.25 0.00 0.00 42.46 39.80 3dsn s ILE 37 CO 0.08 -0.35 1.20 -0.62 0.24 0.00 0.00 174.94 175.50 3dsn s ASP 38 N -2.98 6.37 0.64 4.36 3.68 -1.26 -4.96 116.67 122.54 3dsn s ASP 38 Ca 0.48 2.42 -0.11 0.00 2.13 0.00 0.00 52.55 57.47 3dsn s ASP 38 Cb -0.11 -2.62 -0.02 0.00 -1.45 0.00 0.00 42.92 38.72 3dsn s ASP 38 CO 0.28 -0.78 1.04 0.28 0.13 0.00 0.00 175.17 176.12 3dsn s THR 39 N -1.39 4.48 -1.11 1.71 -1.32 -1.26 -3.82 115.64 112.93 3dsn s THR 39 Ca 0.59 0.80 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 3dsn s THR 39 Cb -0.32 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 66.94 3dsn s THR 39 CO 0.41 -1.05 0.00 -0.62 -2.21 0.00 0.00 174.62 171.14 3dsn n GLU 40 N -2.86 -1.52 -1.73 7.08 -0.58 -1.11 -4.93 120.64 114.98 3dsn n GLU 40 Ca 0.06 0.84 -0.42 0.00 -0.42 0.00 0.00 57.16 57.23 3dsn n GLU 40 Cb 0.54 -5.16 -0.03 0.00 -0.57 0.00 0.00 31.44 26.22 3dsn n GLU 40 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dsn s LEU 41 N -2.38 4.41 -0.72 -4.62 1.43 -1.25 -4.75 118.68 110.81 3dsn s LEU 41 Ca 0.00 2.62 -0.26 0.00 -1.03 0.00 0.00 54.13 55.46 3dsn s LEU 41 Cb 0.00 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 3dsn s LEU 41 CO 0.00 -1.02 2.13 -0.22 0.23 0.00 0.00 176.35 177.46 3dsn s LEU 42 N 4.11 3.17 0.19 1.79 2.96 -1.26 -2.74 118.68 126.90 3dsn s LEU 42 Ca 0.85 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.75 3dsn s LEU 42 Cb -0.42 -2.54 0.12 0.00 0.50 0.00 0.00 46.19 43.85 3dsn s LEU 42 CO 0.39 -2.95 1.85 0.58 -1.32 0.00 0.00 176.35 174.90 3dsn h VAL 43 N 7.35 1.18 -1.61 1.68 2.07 -1.31 -3.36 116.25 122.26 3dsn h VAL 43 Ca -0.08 -0.38 0.24 0.00 0.82 0.00 0.00 66.70 67.30 3dsn h VAL 43 Cb 1.10 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 30.93 3dsn h VAL 43 CO 1.15 0.19 0.76 -0.83 0.02 0.00 0.00 177.57 178.86 3dsn s GLY 44 N -2.87 -0.33 -0.17 2.17 0.00 -1.20 -1.18 107.32 103.74 3dsn s GLY 44 Ca -0.13 1.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 3dsn s GLY 44 CO 0.77 0.44 -0.08 -1.59 0.00 0.00 0.00 173.10 172.65 3dsn s THR 45 N -2.54 3.37 -0.18 0.90 2.01 -0.18 -0.94 115.64 118.08 3dsn s THR 45 Ca 0.09 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 3dsn s THR 45 Cb -0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 3dsn s THR 45 CO -0.05 0.48 0.06 -0.76 -0.69 0.00 0.00 174.62 173.66 3dsn s LEU 46 N 0.79 3.81 -0.30 4.42 1.43 0.17 -0.73 118.68 128.28 3dsn s LEU 46 Ca -0.03 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3dsn s LEU 46 Cb -0.15 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.18 3dsn s LEU 46 CO 0.01 0.19 -0.02 -0.89 0.23 0.00 0.00 176.35 175.87 3dsn s THR 47 N 0.30 2.63 -0.03 5.49 2.01 0.51 0.27 115.64 126.81 3dsn s THR 47 Ca 0.03 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 60.15 3dsn s THR 47 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3dsn s THR 47 CO 0.00 -0.18 0.72 -0.22 -0.69 0.00 0.00 174.62 174.26 3dsn s LEU 48 N 1.15 4.36 0.00 4.42 2.96 -0.49 -0.56 118.68 130.52 3dsn s LEU 48 Ca -0.04 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.18 3dsn s LEU 48 Cb -0.20 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 3dsn s LEU 48 CO -0.04 -0.08 0.24 0.61 -1.32 0.00 0.00 176.35 175.77 3dsn n GLY 49 N 2.87 2.98 2.49 7.98 0.00 -0.50 -0.91 105.19 120.11 3dsn n GLY 49 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3dsn n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsn n GLY 50 N -0.43 2.74 3.71 -0.02 0.00 -1.19 -0.78 105.19 109.21 3dsn n GLY 50 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3dsn n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dsn s TYR 51 N -1.20 1.93 0.34 1.61 -0.85 -0.89 -4.33 117.35 113.97 3dsn s TYR 51 Ca 0.00 1.70 -0.26 0.00 -0.52 0.00 0.00 57.07 57.99 3dsn s TYR 51 Cb 0.00 -3.29 -0.09 0.00 0.38 0.00 0.00 41.96 38.95 3dsn s TYR 51 CO 0.00 -2.52 1.01 0.21 -1.52 0.00 0.00 175.55 172.73 3dsn s LYS 52 N -4.57 4.46 0.22 -3.49 2.20 -1.26 -4.73 119.74 112.56 3dsn s LYS 52 Ca 0.67 1.49 -0.32 0.00 -0.36 0.00 0.00 55.97 57.44 3dsn s LYS 52 Cb -0.22 -2.80 -0.12 0.00 -1.51 0.00 0.00 37.83 33.17 3dsn s LYS 52 CO 0.55 0.13 1.70 2.41 -0.36 0.00 0.00 175.35 179.78 3dsn n THR 53 N 0.50 0.13 0.00 3.43 -1.04 -1.26 -1.57 114.28 114.47 3dsn n THR 53 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3dsn n THR 53 Cb 0.49 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 3dsn n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dsn n GLY 54 N 3.72 2.02 3.60 3.41 0.00 -1.26 -5.08 105.19 111.59 3dsn n GLY 54 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 3dsn n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dsn n THR 55 N -0.36 0.43 -3.80 2.61 -1.04 -0.61 -4.77 114.28 106.74 3dsn n THR 55 Ca 0.00 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 3dsn n THR 55 Cb 0.00 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.53 3dsn n THR 55 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dsn s THR 56 N 0.21 3.37 0.23 12.58 -4.23 -1.26 -1.03 115.64 125.51 3dsn s THR 56 Ca 0.78 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 3dsn s THR 56 Cb -0.87 -3.14 -0.06 0.00 1.34 0.00 0.00 72.50 69.77 3dsn s THR 56 CO 0.48 -0.15 1.54 0.77 -0.54 0.00 0.00 174.62 176.72 3dsn h SER 57 N 1.24 0.25 0.76 3.99 4.64 -1.31 -2.85 113.55 120.28 3dsn h SER 57 Ca -0.44 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3dsn h SER 57 Cb 1.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3dsn h SER 57 CO 0.59 0.83 0.00 0.35 -0.87 0.00 0.00 176.83 177.72 3dsn n THR 58 N -3.84 0.41 1.30 2.95 -2.24 -1.26 -2.98 114.28 108.62 3dsn n THR 58 Ca -0.02 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3dsn n THR 58 Cb 0.64 -0.71 0.42 0.00 -2.10 0.00 0.00 70.33 68.59 3dsn n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dsn n SER 59 N -1.48 1.71 -4.32 3.42 3.41 -1.07 -4.77 113.62 110.52 3dsn n SER 59 Ca 0.06 -1.64 -0.34 0.00 -0.26 0.00 0.00 58.87 56.68 3dsn n SER 59 Cb 0.26 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 3dsn n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dsn s VAL 60 N -1.87 3.25 -0.19 -3.33 1.01 -1.16 -0.17 120.40 117.93 3dsn s VAL 60 Ca 0.35 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3dsn s VAL 60 Cb 0.19 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 34.18 3dsn s VAL 60 CO 0.30 0.45 0.01 0.21 0.00 0.00 0.00 175.10 176.07 3dsn s ASN 61 N 1.22 2.99 -0.30 3.32 2.47 0.27 -0.77 114.94 124.14 3dsn s ASN 61 Ca 0.02 -0.83 -0.21 0.00 0.42 0.00 0.00 52.86 52.26 3dsn s ASN 61 Cb -0.14 -0.70 -0.01 0.00 -1.45 0.00 0.00 41.25 38.94 3dsn s ASN 61 CO -0.02 -0.28 0.68 -0.36 -3.72 0.00 0.00 177.10 173.40 3dsn s PHE 62 N 1.77 3.22 0.19 0.43 0.40 -0.76 -0.43 117.98 122.80 3dsn s PHE 62 Ca -0.01 0.69 0.10 0.00 -0.60 0.00 0.00 56.93 57.11 3dsn s PHE 62 Cb -0.17 -3.04 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 3dsn s PHE 62 CO -0.07 -0.48 -0.21 0.95 0.70 0.00 0.00 175.22 176.10 3dsn s THR 63 N 2.71 2.15 0.29 0.64 -4.23 0.45 -0.07 115.64 117.57 3dsn s THR 63 Ca 0.28 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3dsn s THR 63 Cb -0.15 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 3dsn s THR 63 CO 0.11 -0.22 0.31 1.51 -0.54 0.00 0.00 174.62 175.80 3dsn s ASP 64 N -2.73 0.82 0.32 3.99 1.47 -1.26 -0.87 116.67 118.41 3dsn s ASP 64 Ca 0.19 -1.48 0.00 0.00 1.18 0.00 0.00 52.55 52.45 3dsn s ASP 64 Cb -0.07 0.54 0.52 0.00 -0.34 0.00 0.00 42.92 43.57 3dsn s ASP 64 CO 0.09 -1.07 1.95 0.00 0.68 0.00 0.00 175.17 176.81 3dsn h ALA 65 N 2.29 1.42 -0.85 2.11 0.00 -1.96 -2.71 119.26 119.55 3dsn h ALA 65 Ca -0.29 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3dsn h ALA 65 Cb 1.24 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3dsn h ALA 65 CO 0.42 0.48 0.52 0.00 0.00 0.00 0.00 179.25 180.67 3dsn h ALA 66 N 1.50 1.16 -0.25 0.00 0.00 -1.96 -3.46 119.26 116.26 3dsn h ALA 66 Ca 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3dsn h ALA 66 Cb 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3dsn h ALA 66 CO -0.04 0.26 -0.10 0.41 0.00 0.00 0.00 179.25 179.78 3dsn n GLY 67 N -1.33 0.75 3.62 0.00 0.00 -1.02 -4.97 105.19 102.23 3dsn n GLY 67 Ca 0.12 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3dsn n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dsn s ASP 68 N -2.57 6.16 0.18 1.61 2.15 -1.26 -4.91 116.67 118.04 3dsn s ASP 68 Ca 0.00 1.51 -0.33 0.00 0.43 0.00 0.00 52.55 54.15 3dsn s ASP 68 Cb 0.00 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 3dsn s ASP 68 CO 0.00 -1.45 1.53 -2.65 -0.17 0.00 0.00 175.17 172.43 3dsn n PRO 69 N 8.01 2.13 -0.25 4.34 -0.02 -1.26 -2.12 135.00 145.81 3dsn n PRO 69 Ca 0.21 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3dsn n PRO 69 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3dsn n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dsn n MET 70 N 3.03 0.00 -3.92 -0.52 2.81 0.47 -4.99 117.12 114.00 3dsn n MET 70 Ca 0.15 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.91 3dsn n MET 70 Cb 0.30 -1.33 -0.14 0.00 -0.71 0.00 0.00 33.22 31.33 3dsn n MET 70 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dsn s TYR 71 N -2.97 0.12 -0.00 2.03 1.51 -0.90 -4.60 117.35 112.54 3dsn s TYR 71 Ca 0.00 -0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 55.89 3dsn s TYR 71 Cb 0.00 -0.11 -0.06 0.00 -0.11 0.00 0.00 41.96 41.68 3dsn s TYR 71 CO 0.00 -0.02 0.47 -0.51 -1.11 0.00 0.00 175.55 174.38 3dsn s LEU 72 N 0.17 4.45 -0.21 -1.29 1.43 -0.79 -4.34 118.68 118.10 3dsn s LEU 72 Ca -0.01 1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 3dsn s LEU 72 Cb -0.03 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3dsn s LEU 72 CO -0.00 0.24 -0.01 -0.89 0.23 0.00 0.00 176.35 175.91 3dsn s THR 73 N -0.70 3.79 -0.12 5.49 2.01 -1.26 -0.74 115.64 124.10 3dsn s THR 73 Ca 0.26 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3dsn s THR 73 Cb -0.17 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 3dsn s THR 73 CO 0.14 0.42 0.13 -0.36 -0.69 0.00 0.00 174.62 174.27 3dsn s PHE 74 N 1.16 3.57 0.01 4.92 0.40 -0.13 -4.60 117.98 123.30 3dsn s PHE 74 Ca 0.03 0.50 0.04 0.00 -0.60 0.00 0.00 56.93 56.90 3dsn s PHE 74 Cb -0.14 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 3dsn s PHE 74 CO 0.01 0.70 -0.12 0.99 0.70 0.00 0.00 175.22 177.49 3dsn s THR 75 N -0.94 0.97 0.32 0.64 2.01 -0.68 -1.65 115.64 116.32 3dsn s THR 75 Ca 0.14 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 3dsn s THR 75 Cb -0.12 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.45 3dsn s THR 75 CO 0.04 0.16 1.31 -0.94 -0.69 0.00 0.00 174.62 174.50 3dsn s SER 76 N -0.59 6.78 -0.00 3.53 1.04 -0.67 0.78 113.70 124.57 3dsn s SER 76 Ca 0.03 2.67 0.01 0.00 0.48 0.00 0.00 55.95 59.14 3dsn s SER 76 Cb -0.06 -2.65 0.02 0.00 0.10 0.00 0.00 66.02 63.44 3dsn s SER 76 CO 0.00 -0.54 0.95 1.67 0.98 0.00 0.00 173.24 176.30 3dsn n GLN 77 N 0.94 1.07 0.00 4.02 7.27 0.70 -4.24 117.38 127.15 3dsn n GLN 77 Ca 0.00 -0.10 0.09 0.00 0.07 0.00 0.00 57.00 57.06 3dsn n GLN 77 Cb 0.42 -1.10 -0.14 0.00 2.41 0.00 0.00 30.24 31.83 3dsn n GLN 77 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3dsn n ASP 78 N -0.36 0.17 0.00 1.69 5.68 -1.26 -4.98 116.55 117.48 3dsn n ASP 78 Ca 0.01 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 3dsn n ASP 78 Cb 0.06 1.60 0.00 0.00 -1.14 0.00 0.00 41.12 41.64 3dsn n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dsn n GLY 79 N 1.30 2.50 0.01 6.12 0.00 -1.26 -4.98 105.19 108.88 3dsn n GLY 79 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3dsn n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dsn n ASN 80 N 0.00 0.06 -3.88 1.61 3.02 -1.26 -4.96 115.26 109.85 3dsn n ASN 80 Ca 0.00 0.51 -0.29 0.00 -0.03 0.00 0.00 54.58 54.76 3dsn n ASN 80 Cb 0.00 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.68 3dsn n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dsn n ASN 81 N -1.56 -4.68 -4.78 6.41 5.15 -1.26 -4.99 115.26 109.55 3dsn n ASN 81 Ca 0.06 -0.77 -0.36 0.00 -0.60 0.00 0.00 54.58 52.92 3dsn n ASN 81 Cb 0.32 -3.97 -0.02 0.00 -0.53 0.00 0.00 39.78 35.58 3dsn n ASN 81 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3dsn s HIS 82 N -3.33 3.00 -0.02 1.20 3.76 -1.26 -4.86 115.29 113.78 3dsn s HIS 82 Ca 0.62 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 57.08 3dsn s HIS 82 Cb -0.31 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3dsn s HIS 82 CO 0.82 -1.08 0.08 -0.65 -0.85 0.00 0.00 174.74 173.06 3dsn s GLN 83 N -2.82 0.18 0.04 1.40 -0.21 -1.26 -1.67 119.66 115.32 3dsn s GLN 83 Ca 0.64 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.98 3dsn s GLN 83 Cb -0.23 0.08 -0.03 0.00 1.00 0.00 0.00 33.01 33.83 3dsn s GLN 83 CO 0.28 -0.03 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.78 3dsn s PHE 84 N -0.33 0.53 0.12 0.91 -0.12 -0.66 -4.55 117.98 113.88 3dsn s PHE 84 Ca -0.04 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.26 3dsn s PHE 84 Cb -0.03 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 3dsn s PHE 84 CO 0.00 -0.16 0.08 0.95 -0.05 0.00 0.00 175.22 176.04 3dsn s THR 85 N -1.93 4.38 0.19 -4.49 -4.23 -0.58 -0.96 115.64 108.02 3dsn s THR 85 Ca -0.08 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 3dsn s THR 85 Cb -0.06 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 3dsn s THR 85 CO -0.02 0.03 -0.06 0.42 -0.54 0.00 0.00 174.62 174.44 3dsn s THR 86 N -1.53 1.15 0.24 3.99 -4.23 0.08 -0.84 115.64 114.50 3dsn s THR 86 Ca 0.29 -2.06 0.11 0.00 -1.18 0.00 0.00 61.69 58.85 3dsn s THR 86 Cb -0.11 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 3dsn s THR 86 CO 0.22 -0.56 -0.17 -1.59 -0.54 0.00 0.00 174.62 171.98 3dsn s LYS 87 N -3.79 1.78 -0.24 3.99 -2.85 -0.23 -1.89 119.74 116.51 3dsn s LYS 87 Ca 0.22 -1.59 -0.02 0.00 -1.00 0.00 0.00 55.97 53.58 3dsn s LYS 87 Cb 0.04 -1.90 0.02 0.00 -2.06 0.00 0.00 37.83 33.93 3dsn s LYS 87 CO 0.04 0.37 -0.06 0.08 0.10 0.00 0.00 175.35 175.88 3dsn s VAL 88 N -2.17 2.95 0.12 1.79 1.01 -1.26 -1.44 120.40 121.40 3dsn s VAL 88 Ca 0.27 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3dsn s VAL 88 Cb -0.06 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3dsn s VAL 88 CO 0.14 0.24 -0.02 0.27 0.00 0.00 0.00 175.10 175.74 3dsn s ILE 89 N 1.35 0.52 0.06 2.22 -4.36 -0.80 -4.18 121.20 116.01 3dsn s ILE 89 Ca 0.01 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 3dsn s ILE 89 Cb -0.16 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.72 3dsn s ILE 89 CO -0.04 -0.72 0.11 0.61 0.24 0.00 0.00 174.94 175.13 3dsn n GLY 90 N -0.08 2.18 3.19 6.27 0.00 0.14 0.01 105.19 116.90 3dsn n GLY 90 Ca -0.10 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 3dsn n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsn s LYS 91 N -2.05 1.44 0.00 1.61 -0.14 -1.26 -1.17 119.74 118.18 3dsn s LYS 91 Ca 0.03 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 3dsn s LYS 91 Cb -0.01 -1.43 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 3dsn s LYS 91 CO 0.02 0.39 0.00 -0.40 -0.76 0.00 0.00 175.35 174.60 3dsn n ASP 92 N 2.45 0.00 0.19 2.83 5.68 -0.83 -4.92 116.55 121.95 3dsn n ASP 92 Ca -0.15 -0.81 0.05 0.00 -0.50 0.00 0.00 54.79 53.37 3dsn n ASP 92 Cb 0.54 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.90 3dsn n ASP 92 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dsn h SER 93 N 0.00 0.00 -0.01 -1.12 4.64 -1.94 -2.22 113.55 112.90 3dsn h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dsn h SER 93 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dsn h SER 93 CO 0.00 0.36 -0.00 0.54 -0.87 0.00 0.00 176.83 176.86 3dsn n ARG 94 N -3.72 1.55 -2.06 4.77 1.74 -1.26 -4.94 116.66 112.74 3dsn n ARG 94 Ca -0.01 -0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 56.14 3dsn n ARG 94 Cb 0.45 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 3dsn n ARG 94 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dsn n ASP 95 N -0.02 -3.98 -4.87 0.55 2.03 -0.84 -5.04 116.55 104.38 3dsn n ASP 95 Ca 0.20 0.05 -0.31 0.00 0.52 0.00 0.00 54.79 55.25 3dsn n ASP 95 Cb 0.32 -3.06 -0.05 0.00 -0.72 0.00 0.00 41.12 37.61 3dsn n ASP 95 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3dsn s PHE 96 N -2.57 3.43 0.03 -0.67 0.40 -1.26 -4.81 117.98 112.52 3dsn s PHE 96 Ca 0.00 1.08 -0.30 0.00 -0.60 0.00 0.00 56.93 57.11 3dsn s PHE 96 Cb 0.00 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 3dsn s PHE 96 CO 0.00 0.02 1.31 -0.51 0.70 0.00 0.00 175.22 176.73 3dsn s ASP 97 N -2.74 6.95 0.08 1.36 1.01 -1.26 -1.97 116.67 120.09 3dsn s ASP 97 Ca 0.52 2.08 0.02 0.00 0.71 0.00 0.00 52.55 55.88 3dsn s ASP 97 Cb -0.10 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 3dsn s ASP 97 CO 0.25 -0.61 -0.07 0.27 0.21 0.00 0.00 175.17 175.22 3dsn s ILE 98 N 1.69 0.66 0.00 0.77 -4.36 -0.32 -3.92 121.20 115.72 3dsn s ILE 98 Ca 0.61 -1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 59.37 3dsn s ILE 98 Cb -0.31 -1.24 -0.00 0.00 1.25 0.00 0.00 42.46 42.16 3dsn s ILE 98 CO 0.27 -0.65 0.10 -0.94 0.24 0.00 0.00 174.94 173.96 3dsn s SER 99 N -2.42 0.05 0.92 4.36 1.04 -1.11 0.23 113.70 116.77 3dsn s SER 99 Ca 0.03 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 3dsn s SER 99 Cb -0.01 0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.45 3dsn s SER 99 CO -0.02 -0.32 1.20 -2.16 0.98 0.00 0.00 173.24 172.92 3dsn s PRO 100 N -1.22 1.03 0.46 4.02 0.04 -1.26 -4.73 135.00 133.33 3dsn s PRO 100 Ca -0.13 0.02 -0.24 0.00 0.04 0.00 0.00 61.00 60.69 3dsn s PRO 100 Cb -0.07 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3dsn s PRO 100 CO 0.01 -2.22 1.30 0.15 0.04 0.00 0.00 177.00 176.27 3dsn s LYS 101 N -5.54 3.66 -0.10 4.56 1.02 0.05 -4.46 119.74 118.92 3dsn s LYS 101 Ca 0.67 2.12 -0.01 0.00 0.02 0.00 0.00 55.97 58.76 3dsn s LYS 101 Cb -0.10 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 3dsn s LYS 101 CO 0.52 -0.74 -0.03 0.08 -0.92 0.00 0.00 175.35 174.27 3dsn s VAL 102 N -1.33 0.67 -1.72 3.17 1.01 -0.08 -1.82 120.40 120.30 3dsn s VAL 102 Ca 0.63 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3dsn s VAL 102 Cb -0.37 -0.80 0.16 0.00 0.00 0.00 0.00 36.38 35.36 3dsn s VAL 102 CO 0.46 0.26 0.69 0.59 0.00 0.00 0.00 175.10 177.10 3dsn n ASN 103 N 5.05 -2.61 0.00 3.32 3.02 0.89 -0.40 115.26 124.53 3dsn n ASN 103 Ca -0.09 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3dsn n ASN 103 Cb 0.50 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 3dsn n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dsn n GLY 104 N -1.42 0.76 2.99 7.41 0.00 -1.26 -4.49 105.19 109.17 3dsn n GLY 104 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3dsn n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dsn s GLU 105 N -0.47 0.36 -0.01 1.61 0.41 -1.09 -5.01 118.70 114.50 3dsn s GLU 105 Ca 0.00 -0.50 -0.23 0.00 -0.41 0.00 0.00 54.97 53.82 3dsn s GLU 105 Cb 0.00 -0.13 -0.05 0.00 -1.78 0.00 0.00 34.13 32.17 3dsn s GLU 105 CO 0.00 0.02 0.70 -0.80 -0.49 0.00 0.00 175.26 174.69 3dsn s ASN 106 N -1.07 7.07 -0.05 -0.19 0.01 -1.26 -0.90 114.94 118.55 3dsn s ASN 106 Ca -0.09 1.28 -0.23 0.00 -0.71 0.00 0.00 52.86 53.12 3dsn s ASN 106 Cb -0.07 -2.42 -0.26 0.00 0.41 0.00 0.00 41.25 38.91 3dsn s ASN 106 CO -0.00 -0.01 0.99 0.25 -1.51 0.00 0.00 177.10 176.81 3dsn h LEU 107 N 6.06 0.33 -7.65 0.60 5.85 -1.87 -3.49 115.31 115.15 3dsn h LEU 107 Ca -0.43 -0.84 -0.13 0.00 0.84 0.00 0.00 57.88 57.32 3dsn h LEU 107 Cb 1.20 -0.10 -0.20 0.00 0.37 0.00 0.00 40.66 41.92 3dsn h LEU 107 CO 0.72 1.13 -0.40 0.54 -0.34 0.00 0.00 178.44 180.09 3dsn s VAL 108 N -2.89 0.07 0.00 1.05 0.11 -1.26 -5.09 120.40 112.39 3dsn s VAL 108 Ca -0.15 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3dsn s VAL 108 Cb 0.01 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 3dsn s VAL 108 CO 0.78 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 3dsn n GLY 109 N 1.42 -1.50 3.92 6.54 0.00 -1.25 -2.76 105.19 111.55 3dsn n GLY 109 Ca -0.22 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 3dsn n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dsn s ASP 110 N -4.20 5.85 0.08 1.61 1.11 -1.26 -4.90 116.67 114.95 3dsn s ASP 110 Ca 0.00 0.67 -0.35 0.00 0.18 0.00 0.00 52.55 53.04 3dsn s ASP 110 Cb 0.00 -1.82 -0.15 0.00 1.07 0.00 0.00 42.92 42.02 3dsn s ASP 110 CO 0.00 -0.83 1.53 -0.67 1.18 0.00 0.00 175.17 176.38 3dsn n ASP 111 N -2.36 2.52 -4.23 0.27 2.03 -1.26 -4.83 116.55 108.70 3dsn n ASP 111 Ca 0.02 1.09 -0.13 0.00 0.52 0.00 0.00 54.79 56.29 3dsn n ASP 111 Cb 0.57 -1.31 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 3dsn n ASP 111 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3dsn s VAL 112 N 1.24 1.03 0.01 5.18 -7.23 -1.26 -4.98 120.40 114.39 3dsn s VAL 112 Ca 0.84 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3dsn s VAL 112 Cb -0.81 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3dsn s VAL 112 CO 0.45 -0.77 1.10 -0.69 -0.31 0.00 0.00 175.10 174.88 3dsn s VAL 113 N -3.42 4.43 0.75 1.32 1.01 -1.26 -0.79 120.40 122.44 3dsn s VAL 113 Ca 0.16 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 3dsn s VAL 113 Cb 0.03 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.35 3dsn s VAL 113 CO -0.01 0.10 1.19 -0.76 0.00 0.00 0.00 175.10 175.63 3dsn s LEU 114 N 1.30 3.25 0.59 3.92 1.43 -0.19 -4.90 118.68 124.07 3dsn s LEU 114 Ca 0.55 2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 55.76 3dsn s LEU 114 Cb -0.25 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.34 3dsn s LEU 114 CO 0.27 -2.32 1.07 0.00 0.23 0.00 0.00 176.35 175.59 3dsn n ALA 115 N -2.91 0.52 -1.85 4.21 0.00 -1.26 -4.72 120.51 114.49 3dsn n ALA 115 Ca 0.13 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3dsn n ALA 115 Cb 0.51 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 3dsn n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dsn s THR 116 N -1.44 2.49 0.00 0.00 2.01 -1.26 -4.04 115.64 113.40 3dsn s THR 116 Ca 0.75 0.41 0.00 0.00 0.31 0.00 0.00 61.69 63.16 3dsn s THR 116 Cb -0.42 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3dsn s THR 116 CO 0.47 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3dsn n GLY 117 N 2.31 2.13 3.22 4.40 0.00 -1.26 -4.84 105.19 111.15 3dsn n GLY 117 Ca 0.08 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3dsn n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dsn s SER 118 N -0.38 0.19 -0.03 1.61 1.04 -1.26 -3.16 113.70 111.71 3dsn s SER 118 Ca 0.00 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.52 3dsn s SER 118 Cb 0.00 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3dsn s SER 118 CO 0.00 -0.77 -0.01 -1.58 0.98 0.00 0.00 173.24 171.86 3dsn s GLN 119 N -3.95 0.44 0.04 4.02 2.00 -0.09 -4.50 119.66 117.63 3dsn s GLN 119 Ca 0.14 0.02 -0.23 0.00 -2.00 0.00 0.00 55.36 53.30 3dsn s GLN 119 Cb 0.05 -0.57 -0.06 0.00 0.80 0.00 0.00 33.01 33.23 3dsn s GLN 119 CO -0.04 -0.12 0.68 -0.51 -0.50 0.00 0.00 175.29 174.80 3dsn s ASP 120 N 0.97 7.12 0.01 6.67 1.01 -1.26 -1.39 116.67 129.81 3dsn s ASP 120 Ca -0.10 1.34 0.08 0.00 0.71 0.00 0.00 52.55 54.57 3dsn s ASP 120 Cb -0.14 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3dsn s ASP 120 CO -0.01 0.10 -0.24 -0.36 0.21 0.00 0.00 175.17 174.87 3dsn s PHE 121 N -0.36 2.13 -0.17 4.23 0.40 0.14 -4.52 117.98 119.84 3dsn s PHE 121 Ca 0.34 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 3dsn s PHE 121 Cb -0.20 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 3dsn s PHE 121 CO 0.21 0.03 -0.01 -0.06 0.70 0.00 0.00 175.22 176.08 3dsn s PHE 122 N -0.66 3.08 -0.27 0.36 0.40 0.10 0.47 117.98 121.45 3dsn s PHE 122 Ca 0.10 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 55.93 3dsn s PHE 122 Cb -0.09 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 3dsn s PHE 122 CO 0.00 -0.03 0.84 0.08 0.70 0.00 0.00 175.22 176.81 3dsn s VAL 123 N 0.48 4.78 -0.07 -0.44 1.01 -0.11 -1.91 120.40 124.14 3dsn s VAL 123 Ca -0.02 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.45 3dsn s VAL 123 Cb -0.14 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3dsn s VAL 123 CO 0.02 -0.18 -0.19 -0.13 0.00 0.00 0.00 175.10 174.62 3dsn s ARG 124 N 2.98 2.28 0.42 2.72 1.81 -0.52 -0.83 118.95 127.81 3dsn s ARG 124 Ca 0.35 -0.68 -0.25 0.00 -1.72 0.00 0.00 55.73 53.43 3dsn s ARG 124 Cb -0.14 -1.83 -0.08 0.00 -0.45 0.00 0.00 34.95 32.44 3dsn s ARG 124 CO 0.10 0.17 1.26 -1.54 -0.68 0.00 0.00 175.30 174.60 3dsn s SER 125 N 0.32 6.27 0.00 0.23 1.04 -1.11 -1.07 113.70 119.38 3dsn s SER 125 Ca -0.12 2.54 0.00 0.00 0.48 0.00 0.00 55.95 58.85 3dsn s SER 125 Cb -0.15 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3dsn s SER 125 CO 0.05 -0.87 0.00 -0.38 0.98 0.00 0.00 173.24 173.02 3dsn n ILE 126 N -0.05 0.00 -2.94 -1.02 2.08 -0.02 -2.75 119.36 114.67 3dsn n ILE 126 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 3dsn n ILE 126 Cb 0.45 -0.60 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 3dsn n ILE 126 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dsn n GLY 127 N 3.03 1.68 2.73 7.39 0.00 -1.24 -4.66 105.19 114.12 3dsn n GLY 127 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 3dsn n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dsn s SER 128 N 0.41 3.33 0.62 1.61 1.04 -1.26 -1.52 113.70 117.93 3dsn s SER 128 Ca 0.00 -1.11 0.26 0.00 0.48 0.00 0.00 55.95 55.58 3dsn s SER 128 Cb 0.00 -0.69 1.27 0.00 0.10 0.00 0.00 66.02 66.70 3dsn s SER 128 CO 0.00 -0.34 1.70 0.50 0.98 0.00 0.00 173.24 176.08 3dsn h LYS 129 N 8.19 0.00 0.00 4.02 3.64 -2.01 -3.07 116.57 127.35 3dsn h LYS 129 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3dsn h LYS 129 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3dsn h LYS 129 CO 0.39 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.98 3dsn n GLY 130 N -1.48 -0.69 0.00 5.01 0.00 -1.26 -5.10 105.19 101.67 3dsn n GLY 130 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3dsn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsn n GLY 131 N 1.46 -2.36 3.51 -0.02 0.00 -1.16 -5.13 105.19 101.49 3dsn n GLY 131 Ca 0.00 0.81 -0.43 0.00 0.00 0.00 0.00 46.02 46.40 3dsn n GLY 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dsn s LYS 132 N 0.00 3.29 0.07 1.61 2.20 -1.26 -4.67 119.74 120.98 3dsn s LYS 132 Ca 0.00 -0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 54.96 3dsn s LYS 132 Cb 0.00 -4.02 -0.06 0.00 -1.51 0.00 0.00 37.83 32.25 3dsn s LYS 132 CO 0.00 -1.24 0.80 -0.51 -0.36 0.00 0.00 175.35 174.04 3dsn s LEU 133 N 3.26 4.48 0.00 5.43 1.43 -1.17 -4.99 118.68 127.12 3dsn s LEU 133 Ca 0.25 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3dsn s LEU 133 Cb -0.14 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3dsn s LEU 133 CO 0.18 0.03 0.02 0.00 0.23 0.00 0.00 176.35 176.82 3dsn n ALA 134 N 2.61 0.00 -1.61 4.21 0.00 -1.26 -4.85 120.51 119.60 3dsn n ALA 134 Ca -0.02 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.87 3dsn n ALA 134 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 3dsn n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dsn n LYS 137 N -0.06 0.97 -4.51 0.00 5.02 -1.26 -5.16 118.16 113.16 3dsn n LYS 137 Ca 0.00 0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 3dsn n LYS 137 Cb 0.00 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 32.92 3dsn n LYS 137 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dsn s TYR 138 N 1.14 3.02 0.06 2.13 1.51 -1.26 -0.21 117.35 123.73 3dsn s TYR 138 Ca 0.89 0.02 0.05 0.00 -1.01 0.00 0.00 57.07 57.02 3dsn s TYR 138 Cb -1.04 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 3dsn s TYR 138 CO 0.53 0.31 -0.15 0.95 -1.11 0.00 0.00 175.55 176.08 3dsn s THR 139 N -0.63 1.18 0.04 -0.71 -4.23 0.23 -4.81 115.64 106.73 3dsn s THR 139 Ca 0.10 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3dsn s THR 139 Cb -0.12 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 3dsn s THR 139 CO 0.02 -0.10 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.31 3dsn s ASP 140 N -1.48 0.83 -0.29 3.99 2.15 -1.26 -1.69 116.67 118.91 3dsn s ASP 140 Ca 0.01 -0.58 -0.01 0.00 0.43 0.00 0.00 52.55 52.39 3dsn s ASP 140 Cb -0.09 0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.63 3dsn s ASP 140 CO 0.02 -0.23 -0.02 0.00 -0.17 0.00 0.00 175.17 174.77 3dsn s ALA 141 N -1.57 2.77 -0.14 3.66 0.00 -1.26 -5.10 121.76 120.11 3dsn s ALA 141 Ca -0.09 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 3dsn s ALA 141 Cb -0.09 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 3dsn s ALA 141 CO -0.00 -1.26 -0.12 0.08 0.00 0.00 0.00 175.76 174.46 3dsn s VAL 142 N 1.22 3.10 -0.19 0.00 1.01 -1.26 -4.37 120.40 119.91 3dsn s VAL 142 Ca -0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3dsn s VAL 142 Cb -0.20 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3dsn s VAL 142 CO -0.02 0.51 0.22 -0.89 0.00 0.00 0.00 175.10 174.92 3dsn s THR 143 N 0.53 5.35 -0.44 3.92 2.01 -0.05 -4.92 115.64 122.04 3dsn s THR 143 Ca -0.08 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 3dsn s THR 143 Cb -0.15 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 68.87 3dsn s THR 143 CO 0.04 0.39 0.30 -0.69 -0.69 0.00 0.00 174.62 173.97 3dsn s VAL 144 N 0.59 4.53 -0.24 3.82 1.01 -1.26 -0.41 120.40 128.45 3dsn s VAL 144 Ca 0.12 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 3dsn s VAL 144 Cb -0.12 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3dsn s VAL 144 CO 0.02 -0.53 0.19 -0.89 0.00 0.00 0.00 175.10 173.89 3dsn s THR 145 N 1.49 5.34 -0.22 3.92 2.01 0.42 -4.94 115.64 123.65 3dsn s THR 145 Ca 0.03 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 3dsn s THR 145 Cb -0.23 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.76 3dsn s THR 145 CO 0.03 0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.52 3dsn s VAL 146 N 1.13 2.95 -0.83 3.82 1.01 -1.26 -0.57 120.40 126.66 3dsn s VAL 146 Ca 0.09 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 3dsn s VAL 146 Cb -0.14 -2.38 0.15 0.00 0.00 0.00 0.00 36.38 34.01 3dsn s VAL 146 CO 0.05 0.37 0.95 -0.44 0.00 0.00 0.00 175.10 176.03 3dsn s SER 147 N 1.39 6.57 0.30 3.32 0.01 0.76 -5.02 113.70 121.03 3dsn s SER 147 Ca 0.04 -2.07 -0.29 0.00 1.31 0.00 0.00 55.95 54.94 3dsn s SER 147 Cb -0.15 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 3dsn s SER 147 CO -0.06 -0.96 1.41 0.20 0.41 0.00 0.00 173.24 174.25 3dsn s ASN 148 N 3.23 6.62 0.00 2.44 0.01 -1.26 -4.84 114.94 121.14 3dsn s ASN 148 Ca 0.25 2.76 0.06 0.00 -0.71 0.00 0.00 52.86 55.21 3dsn s ASN 148 Cb -0.10 -2.64 0.35 0.00 0.41 0.00 0.00 41.25 39.27 3dsn s ASN 148 CO -0.06 -0.69 0.81 0.00 -1.51 0.00 0.00 177.10 175.66