#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4i n GLY 2 N 0.00 0.65 0.00 0.27 0.00 -1.26 -4.86 105.19 99.99 1n4i n GLY 2 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n4i n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 3 N 0.00 0.00 -1.43 1.61 7.64 -1.26 -4.82 113.62 115.36 1n4i n SER 3 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.07 1n4i n SER 3 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n THR 5 N -4.23 0.00 -3.92 0.00 -1.04 -1.26 -4.75 114.28 99.07 1n4i n THR 5 Ca -0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.71 1n4i n THR 5 Cb 0.67 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.19 1n4i n THR 5 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n4i n ASN 6 N 0.00 -2.21 0.00 8.00 6.94 -1.26 0.49 115.26 127.22 1n4i n ASN 6 Ca 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 53.76 1n4i n ASN 6 Cb 0.45 -0.96 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1n4i n THR 7 N -3.45 0.00 0.00 5.53 -1.04 -1.17 -3.52 114.28 110.63 1n4i n THR 7 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1n4i n THR 7 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1n4i n THR 7 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 8 N 2.22 0.00 0.00 8.00 4.13 0.18 -4.96 115.26 124.83 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1n4i n SER 9 N 0.00 0.00 -3.15 6.41 7.64 -1.12 -4.31 113.62 119.09 1n4i n SER 9 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1n4i n SER 9 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1n4i n SER 9 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1n4i s GLN 10 N 0.00 0.20 -0.62 1.43 -0.21 -1.26 -4.95 119.66 114.25 1n4i s GLN 10 Ca 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 55.36 55.49 1n4i s GLN 10 Cb 0.00 0.12 0.16 0.00 1.00 0.00 0.00 33.01 34.29 1n4i s GLN 10 CO 0.00 -0.31 0.55 -1.17 -2.12 0.00 0.00 175.29 172.24 1n4i s LEU 11 N 2.94 6.21 0.08 2.90 2.96 -1.26 -0.62 118.68 131.90 1n4i s LEU 11 Ca 0.16 -2.17 -0.28 0.00 -0.22 0.00 0.00 54.13 51.62 1n4i s LEU 11 Cb -0.05 -2.15 -0.15 0.00 0.50 0.00 0.00 46.19 44.33 1n4i s LEU 11 CO -0.19 -0.71 0.67 -1.54 -1.32 0.00 0.00 176.35 173.26 1n4i n SER 12 N 4.66 -0.47 0.26 3.68 3.41 -0.73 -4.66 113.62 119.76 1n4i n SER 12 Ca -0.03 0.94 0.13 0.00 -0.26 0.00 0.00 58.87 59.65 1n4i n SER 12 Cb 0.42 -0.76 0.57 0.00 -0.26 0.00 0.00 64.21 64.18 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i h ALA 13 N 1.70 1.75 -0.02 7.33 0.00 -1.87 1.13 119.26 129.28 1n4i h ALA 13 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n4i h ALA 13 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n4i h ALA 13 CO 0.50 -0.66 -0.21 -1.71 0.00 0.00 0.00 179.25 177.17 1n4i n ASN 14 N -2.94 2.07 -2.43 0.00 5.15 -1.26 -3.09 115.26 112.76 1n4i n ASN 14 Ca 0.02 -1.56 0.00 0.00 -0.60 0.00 0.00 54.58 52.44 1n4i n ASN 14 Cb 0.66 0.19 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1n4i n SER 15 N 0.33 -0.63 -3.71 1.20 2.88 0.39 -4.50 113.62 109.57 1n4i n SER 15 Ca 0.13 -0.60 -0.11 0.00 -1.33 0.00 0.00 58.87 56.96 1n4i n SER 15 Cb 0.47 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.82 1n4i n SER 15 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1n4i s LYS 16 N -2.74 0.33 0.32 -1.46 2.47 -1.00 -0.19 119.74 117.47 1n4i s LYS 16 Ca 0.00 0.68 0.07 0.00 -1.56 0.00 0.00 55.97 55.16 1n4i s LYS 16 Cb 0.00 -0.03 -0.03 0.00 -1.46 0.00 0.00 37.83 36.31 1n4i s LYS 16 CO 0.00 -0.15 0.26 0.00 0.16 0.00 0.00 175.35 175.63 1n4i n GLU 18 N -0.61 0.00 -0.05 0.00 1.02 -1.26 -4.93 120.64 114.81 1n4i n GLU 18 Ca 0.07 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.24 1n4i n GLU 18 Cb 0.58 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.03 1n4i n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n4i n LYS 19 N 0.00 2.03 0.00 3.49 0.00 -1.26 -5.03 118.16 117.39 1n4i n LYS 19 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 58.31 56.66 1n4i n LYS 19 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 33.98 1n4i n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1n4i n SER 20 N -0.67 0.00 -3.25 3.14 7.64 -1.22 -4.86 113.62 114.39 1n4i n SER 20 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 1n4i n SER 20 Cb 0.41 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 1n4i n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n4i s THR 21 N 0.00 -0.61 -0.72 0.44 2.01 -1.12 -4.92 115.64 110.72 1n4i s THR 21 Ca 0.00 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 1n4i s THR 21 Cb 0.00 -0.38 0.19 0.00 0.01 0.00 0.00 72.50 72.32 1n4i s THR 21 CO 0.00 -0.35 0.60 -0.76 -0.69 0.00 0.00 174.62 173.42 1n4i s LEU 22 N 1.45 5.98 -0.00 4.42 2.01 -1.26 -1.48 118.68 129.80 1n4i s LEU 22 Ca 0.19 -2.76 -0.15 0.00 0.01 0.00 0.00 54.13 51.42 1n4i s LEU 22 Cb -0.09 -2.03 -0.06 0.00 0.01 0.00 0.00 46.19 44.03 1n4i s LEU 22 CO -0.05 -0.48 0.41 -0.89 1.01 0.00 0.00 176.35 176.35 1n4i s THR 23 N 0.08 5.03 -1.58 5.49 2.01 -0.64 -3.03 115.64 122.98 1n4i s THR 23 Ca 0.17 0.84 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 1n4i s THR 23 Cb -0.16 -3.71 0.19 0.00 0.01 0.00 0.00 72.50 68.83 1n4i s THR 23 CO -0.06 0.58 0.46 0.59 -0.69 0.00 0.00 174.62 175.50 1n4i n ASN 24 N 1.83 -1.34 -2.75 3.53 3.02 -1.23 -2.73 115.26 115.59 1n4i n ASN 24 Ca -0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1n4i n ASN 24 Cb 0.52 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n4i n TYR 26 N 0.00 0.00 -1.57 0.00 9.36 -0.82 -4.07 117.16 120.06 1n4i n TYR 26 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 1n4i n TYR 26 Cb 0.00 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.76 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n4i n VAL 27 N 0.00 3.36 0.00 2.97 0.31 0.21 -4.01 118.33 121.18 1n4i n VAL 27 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1n4i n VAL 27 Cb 0.00 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1n4i n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n4i n ASP 28 N -0.47 2.26 -2.70 4.52 9.92 -1.20 -1.78 116.55 127.10 1n4i n ASP 28 Ca 0.13 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.33 1n4i n ASP 28 Cb 0.48 0.25 0.07 0.00 -0.64 0.00 0.00 41.12 41.27 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1n4i n LYS 29 N -1.13 0.45 -4.16 -1.24 5.02 -1.26 -4.68 118.16 111.17 1n4i n LYS 29 Ca 0.00 -1.20 -0.11 0.00 -2.02 0.00 0.00 58.31 54.98 1n4i n LYS 29 Cb 0.20 -0.78 -0.09 0.00 -0.02 0.00 0.00 35.03 34.34 1n4i n LYS 29 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n4i s SER 30 N -0.91 0.16 -0.21 4.39 1.04 -1.26 0.25 113.70 117.16 1n4i s SER 30 Ca 0.28 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1n4i s SER 30 Cb 0.23 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1n4i s SER 30 CO -0.16 -0.84 -0.10 -1.61 0.98 0.00 0.00 173.24 171.52 1n4i s GLU 31 N -4.11 1.99 0.09 4.02 2.02 -1.16 -2.38 118.70 119.17 1n4i s GLU 31 Ca 0.33 -0.93 0.06 0.00 0.02 0.00 0.00 54.97 54.46 1n4i s GLU 31 Cb 0.06 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1n4i s GLU 31 CO 0.09 -0.47 -0.09 0.08 0.02 0.00 0.00 175.26 174.88 1n4i s VAL 32 N 1.36 3.41 0.00 2.63 1.01 -1.14 -1.76 120.40 125.92 1n4i s VAL 32 Ca -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1n4i s VAL 32 Cb -0.17 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1n4i s VAL 32 CO -0.08 0.15 0.00 -1.22 0.00 0.00 0.00 175.10 173.96 1n4i n TYR 33 N 0.83 0.00 -2.01 5.22 4.02 -1.23 -4.46 117.16 119.53 1n4i n TYR 33 Ca -0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.72 1n4i n TYR 33 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n4i n GLY 34 N 1.70 0.30 3.81 2.72 0.00 -1.19 -3.43 105.19 109.10 1n4i n GLY 34 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1n4i n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4i s THR 35 N 0.02 4.39 -0.94 2.61 2.01 -0.93 -3.66 115.64 119.15 1n4i s THR 35 Ca 0.01 1.52 -0.11 0.00 0.31 0.00 0.00 61.69 63.42 1n4i s THR 35 Cb 0.07 -3.83 0.24 0.00 0.01 0.00 0.00 72.50 68.99 1n4i s THR 35 CO -0.02 0.01 0.90 -0.89 -0.69 0.00 0.00 174.62 173.92 1n4i s THR 36 N -1.78 5.66 -0.63 -0.82 2.01 -1.19 -2.81 115.64 116.07 1n4i s THR 36 Ca 0.52 -2.94 -0.27 0.00 0.31 0.00 0.00 61.69 59.31 1n4i s THR 36 Cb -0.15 -4.45 -0.00 0.00 0.01 0.00 0.00 72.50 67.91 1n4i s THR 36 CO 0.20 -1.09 1.62 0.00 -0.69 0.00 0.00 174.62 174.65 1n4i n THR 38 N 6.92 1.88 0.00 0.00 5.66 -1.26 -1.63 114.28 125.85 1n4i n THR 38 Ca 0.14 -0.83 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1n4i n THR 38 Cb 0.50 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 1n4i n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1n4i n GLY 39 N -0.16 0.58 1.30 1.09 0.00 -1.11 -4.87 105.19 102.02 1n4i n GLY 39 Ca 0.25 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n4i n SER 40 N 0.00 -0.27 -3.66 1.61 2.88 -1.23 -4.64 113.62 108.32 1n4i n SER 40 Ca 0.00 -1.89 -0.13 0.00 -1.33 0.00 0.00 58.87 55.52 1n4i n SER 40 Cb 0.00 0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 64.07 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i s ARG 41 N -2.55 0.93 0.00 -1.46 1.70 -1.26 -1.93 118.95 114.37 1n4i s ARG 41 Ca 0.16 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 1n4i s ARG 41 Cb 0.01 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1n4i s ARG 41 CO 0.11 -0.32 0.00 1.19 -1.08 0.00 0.00 175.30 175.20 1n4i n PHE 42 N 0.51 -0.11 -2.65 5.89 3.72 -1.26 -3.56 117.46 120.00 1n4i n PHE 42 Ca -0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1n4i n PHE 42 Cb 0.60 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.25 1n4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n4i n ASP 43 N -0.97 -1.01 0.00 4.37 -0.08 -1.26 -3.26 116.55 114.34 1n4i n ASP 43 Ca 0.00 -1.51 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1n4i n ASP 43 Cb 0.00 0.91 0.00 0.00 2.34 0.00 0.00 41.12 44.37 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n4i n GLY 44 N 0.69 0.72 0.00 0.27 0.00 0.70 -2.89 105.19 104.68 1n4i n GLY 44 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1n4i n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n4i n VAL 45 N 0.00 0.00 -2.69 1.61 0.24 0.21 -2.97 118.33 114.73 1n4i n VAL 45 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1n4i n VAL 45 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1n4i n VAL 45 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1n4i n THR 46 N 0.00 0.00 -1.57 3.34 -1.04 -0.61 -2.99 114.28 111.40 1n4i n THR 46 Ca 0.00 -1.11 -0.31 0.00 -2.04 0.00 0.00 64.05 60.59 1n4i n THR 46 Cb 0.00 1.17 0.07 0.00 -1.82 0.00 0.00 70.33 69.75 1n4i n THR 46 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1n4i s ILE 47 N 0.15 3.59 0.00 12.58 2.07 -0.72 -3.78 121.20 135.09 1n4i s ILE 47 Ca 0.19 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 1n4i s ILE 47 Cb 0.28 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 39.60 1n4i s ILE 47 CO -0.10 -0.68 0.00 0.35 -1.91 0.00 0.00 174.94 172.60 1n4i n THR 48 N -3.26 0.00 -0.62 4.00 -2.24 -1.03 -3.51 114.28 107.61 1n4i n THR 48 Ca 0.07 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 1n4i n THR 48 Cb 0.55 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1n4i n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n4i n THR 49 N 0.00 1.15 -4.73 4.28 -1.04 -1.26 -2.18 114.28 110.50 1n4i n THR 49 Ca 0.00 -0.82 -0.23 0.00 -2.04 0.00 0.00 64.05 60.95 1n4i n THR 49 Cb 0.00 -2.00 -0.15 0.00 -1.82 0.00 0.00 70.33 66.35 1n4i n THR 49 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1n4i s SER 50 N 5.02 1.82 0.18 8.00 0.15 -1.24 -3.22 113.70 124.41 1n4i s SER 50 Ca 0.41 -0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 1n4i s SER 50 Cb 0.10 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1n4i s SER 50 CO 0.10 0.19 0.56 -0.89 1.20 0.00 0.00 173.24 174.40 1n4i s THR 51 N -0.35 4.86 -0.19 6.45 2.01 -0.84 -3.18 115.64 124.40 1n4i s THR 51 Ca 0.06 0.74 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 1n4i s THR 51 Cb -0.06 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1n4i s THR 51 CO -0.01 0.13 0.47 -0.55 -0.69 0.00 0.00 174.62 173.97 1n4i s SER 52 N -1.94 -0.60 -0.29 3.53 0.15 -1.22 0.26 113.70 113.58 1n4i s SER 52 Ca 0.42 1.02 -0.03 0.00 0.70 0.00 0.00 55.95 58.06 1n4i s SER 52 Cb -0.14 0.91 0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1n4i s SER 52 CO 0.20 -0.20 0.01 -0.89 1.20 0.00 0.00 173.24 173.56 1n4i s THR 53 N 1.34 3.20 -0.47 6.45 2.01 -0.16 -4.22 115.64 123.78 1n4i s THR 53 Ca -0.09 -1.19 -0.23 0.00 0.31 0.00 0.00 61.69 60.49 1n4i s THR 53 Cb -0.07 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.71 1n4i s THR 53 CO -0.13 -0.03 0.63 0.61 -0.69 0.00 0.00 174.62 175.01 1n4i n GLY 54 N 4.69 -0.76 3.16 4.40 0.00 -1.26 0.16 105.19 115.58 1n4i n GLY 54 Ca -0.14 1.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.92 1n4i n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4i s SER 55 N -2.22 -0.33 -0.47 1.61 1.04 -1.15 -2.60 113.70 109.56 1n4i s SER 55 Ca 0.28 0.63 -0.22 0.00 0.48 0.00 0.00 55.95 57.11 1n4i s SER 55 Cb -0.05 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1n4i s SER 55 CO 0.81 -0.14 0.75 -0.60 0.98 0.00 0.00 173.24 175.04 1n4i s ARG 56 N 0.75 3.31 0.00 4.02 3.52 0.80 -4.10 118.95 127.25 1n4i s ARG 56 Ca -0.05 -0.34 0.28 0.00 -0.13 0.00 0.00 55.73 55.50 1n4i s ARG 56 Cb -0.06 -3.99 1.14 0.00 -1.56 0.00 0.00 34.95 30.48 1n4i s ARG 56 CO -0.05 -1.17 1.79 -0.89 -0.81 0.00 0.00 175.30 174.17 1n4i n ILE 57 N 5.98 0.00 -1.31 4.11 2.08 -1.23 -3.61 119.36 125.39 1n4i n ILE 57 Ca -0.00 -0.17 -0.39 0.00 0.56 0.00 0.00 62.75 62.75 1n4i n ILE 57 Cb 0.47 0.28 0.02 0.00 -0.75 0.00 0.00 39.64 39.66 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1n4i n SER 58 N -0.27 -2.95 0.00 4.38 7.64 -1.26 -4.59 113.62 116.57 1n4i n SER 58 Ca 0.18 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1n4i n SER 58 Cb 0.31 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1n4i n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4i n GLY 59 N 2.31 2.89 0.00 0.23 0.00 -1.14 -4.77 105.19 104.71 1n4i n GLY 59 Ca 0.09 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1n4i n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n4i n PRO 60 N -0.79 0.51 -0.99 1.61 -0.04 -1.26 -3.91 135.00 130.12 1n4i n PRO 60 Ca 0.00 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1n4i n PRO 60 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1n4i n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n4i n GLY 61 N 0.32 -0.50 3.72 0.55 0.00 -1.24 -5.01 105.19 103.04 1n4i n GLY 61 Ca 0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1n4i n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i s LYS 63 N 1.05 0.66 0.06 0.00 2.20 -1.21 -1.58 119.74 120.93 1n4i s LYS 63 Ca 0.68 0.02 0.07 0.00 -0.36 0.00 0.00 55.97 56.37 1n4i s LYS 63 Cb -0.42 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 35.02 1n4i s LYS 63 CO 0.31 -0.19 -0.18 0.42 -0.36 0.00 0.00 175.35 175.35 1n4i s ILE 64 N 1.42 1.49 -0.05 5.43 1.01 -1.25 -4.64 121.20 124.61 1n4i s ILE 64 Ca -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 60.65 59.37 1n4i s ILE 64 Cb -0.13 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.05 1n4i s ILE 64 CO -0.03 0.06 0.11 -0.94 0.00 0.00 0.00 174.94 174.14 1n4i s SER 65 N -1.36 0.33 -0.20 3.58 1.04 -1.26 -2.48 113.70 113.35 1n4i s SER 65 Ca 0.05 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.51 1n4i s SER 65 Cb -0.09 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1n4i s SER 65 CO 0.02 -0.18 0.29 0.41 0.98 0.00 0.00 173.24 174.76 1n4i n THR 66 N 4.63 -2.78 -3.31 2.02 -1.04 -1.20 -3.16 114.28 109.45 1n4i n THR 66 Ca -0.18 0.31 -0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1n4i n THR 66 Cb 0.51 -3.18 -0.06 0.00 -1.82 0.00 0.00 70.33 65.77 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i s ILE 68 N 2.60 3.59 0.35 0.00 1.09 -1.25 -1.99 121.20 125.59 1n4i s ILE 68 Ca 0.13 -0.63 -0.06 0.00 -1.10 0.00 0.00 60.65 58.99 1n4i s ILE 68 Cb -0.15 -4.37 -0.05 0.00 -1.06 0.00 0.00 42.46 36.83 1n4i s ILE 68 CO -0.19 -1.21 0.64 -0.63 -0.10 0.00 0.00 174.94 173.45 1n4i s ILE 69 N 8.94 4.95 -0.29 2.92 1.01 0.73 -0.59 121.20 138.87 1n4i s ILE 69 Ca 0.64 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1n4i s ILE 69 Cb -0.04 -3.76 0.18 0.00 0.01 0.00 0.00 42.46 38.85 1n4i s ILE 69 CO 0.00 -0.45 0.51 -0.89 0.00 0.00 0.00 174.94 174.11 1n4i s THR 70 N -2.25 -0.83 0.00 2.92 2.01 0.22 -0.99 115.64 116.72 1n4i s THR 70 Ca 0.46 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1n4i s THR 70 Cb -0.10 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1n4i s THR 70 CO 0.32 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1n4i n GLY 71 N 5.39 1.00 1.72 4.40 0.00 0.42 -3.76 105.19 114.37 1n4i n GLY 71 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1n4i n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4i n GLY 72 N -1.49 0.50 3.09 -0.02 0.00 -1.07 -4.43 105.19 101.77 1n4i n GLY 72 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1n4i n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n4i s VAL 73 N -2.00 1.30 0.37 1.61 -7.23 -1.25 -3.97 120.40 109.24 1n4i s VAL 73 Ca 0.00 -0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 59.33 1n4i s VAL 73 Cb 0.00 -1.14 -0.10 0.00 0.56 0.00 0.00 36.38 35.70 1n4i s VAL 73 CO 0.00 0.38 0.90 -2.16 -0.31 0.00 0.00 175.10 173.92 1n4i s PRO 74 N 0.24 4.30 0.16 4.82 0.04 -1.26 0.72 135.00 144.02 1n4i s PRO 74 Ca -0.07 1.10 -0.07 0.00 0.04 0.00 0.00 61.00 61.99 1n4i s PRO 74 Cb -0.13 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1n4i s PRO 74 CO 0.03 0.11 0.44 0.00 0.04 0.00 0.00 177.00 177.61 1n4i s ALA 75 N -1.96 3.71 -0.26 8.56 0.00 0.24 -4.88 121.76 127.18 1n4i s ALA 75 Ca 0.56 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1n4i s ALA 75 Cb -0.12 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 1n4i s ALA 75 CO 0.17 0.60 1.50 -1.25 0.00 0.00 0.00 175.76 176.78 1n4i s PRO 76 N -2.60 3.83 0.00 0.00 0.04 -1.26 -4.50 135.00 130.50 1n4i s PRO 76 Ca 0.42 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1n4i s PRO 76 Cb -0.12 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1n4i s PRO 76 CO 0.23 -1.25 0.14 0.45 0.04 0.00 0.00 177.00 176.61 1n4i n SER 77 N 8.19 0.28 0.00 6.66 2.88 -1.26 -4.99 113.62 125.38 1n4i n SER 77 Ca 0.17 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1n4i n SER 77 Cb 0.46 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1n4i n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 78 N -0.02 0.00 0.00 -1.46 0.00 -1.26 -4.63 120.51 113.15 1n4i n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n4i n ALA 78 Cb 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1n4i n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i n ALA 79 N 1.00 1.53 -1.48 0.00 0.00 -1.26 -5.08 120.51 115.22 1n4i n ALA 79 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1n4i n ALA 79 Cb 0.24 0.12 0.08 0.00 0.00 0.00 0.00 19.45 19.88 1n4i n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i s LYS 81 N -3.27 2.43 -0.29 0.00 0.00 -1.19 -4.99 119.74 112.43 1n4i s LYS 81 Ca 0.76 -1.65 0.14 0.00 0.00 0.00 0.00 55.97 55.22 1n4i s LYS 81 Cb -0.36 -2.46 0.40 0.00 0.00 0.00 0.00 37.83 35.40 1n4i s LYS 81 CO 0.47 -0.55 1.42 -0.89 0.00 0.00 0.00 175.35 175.80 1n4i n ILE 82 N -1.89 0.23 0.00 3.79 2.08 -1.26 -4.76 119.36 117.54 1n4i n ILE 82 Ca 0.07 -1.26 0.00 0.00 0.56 0.00 0.00 62.75 62.12 1n4i n ILE 82 Cb 0.62 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.52 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1n4i n SER 83 N -1.22 0.00 -3.99 4.38 7.64 -1.26 -4.73 113.62 114.44 1n4i n SER 83 Ca -0.14 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.43 1n4i n SER 83 Cb 0.86 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.93 1n4i n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n4i s GLY 84 N 0.00 2.50 0.00 0.23 0.00 -1.26 -5.04 107.32 103.75 1n4i s GLY 84 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 44.72 41.41 1n4i s GLY 84 CO 0.00 1.04 0.00 0.00 0.00 0.00 0.00 173.10 174.14 1n4i n THR 86 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.98 114.28 113.70 1n4i n THR 86 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1n4i n THR 86 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1n4i n THR 86 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1n4i n PHE 87 N -0.50 0.00 0.00 1.09 3.72 -1.24 -3.99 117.46 116.54 1n4i n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1n4i n PHE 87 Cb 0.00 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1n4i n PHE 87 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1n4i n SER 88 N -1.59 0.00 0.00 4.37 7.64 -1.25 0.28 113.62 123.06 1n4i n SER 88 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1n4i n SER 88 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1n4i n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n ALA 89 N 5.69 0.00 0.73 -0.43 0.00 -1.26 -3.71 120.51 121.53 1n4i n ALA 89 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1n4i n ALA 89 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77