#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4i s GLY 2 N 0.00 -0.23 0.06 0.44 0.00 -1.26 -5.06 107.32 101.27 1n4i s GLY 2 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 1n4i s GLY 2 CO 0.00 -0.24 1.59 0.23 0.00 0.00 0.00 173.10 174.68 1n4i h SER 3 N 2.26 0.06 -1.79 1.64 0.87 -1.93 -3.43 113.55 111.23 1n4i h SER 3 Ca -0.32 -0.17 0.14 0.00 -1.23 0.00 0.00 61.79 60.22 1n4i h SER 3 Cb 1.26 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 1n4i h SER 3 CO 0.42 0.21 -0.19 0.00 -0.53 0.00 0.00 176.83 176.74 1n4i n THR 5 N -2.78 0.00 -3.19 0.00 -1.04 -1.26 -4.89 114.28 101.11 1n4i n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n4i n THR 5 Cb 0.24 0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.00 -3.54 8.00 0.23 -1.26 0.27 115.26 118.96 1n4i n ASN 6 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 1n4i n ASN 6 Cb 0.55 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.31 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1n4i n THR 7 N -0.89 -6.32 -2.67 5.53 -1.04 -1.26 -3.54 114.28 104.09 1n4i n THR 7 Ca 0.00 -0.86 -0.00 0.00 -2.04 0.00 0.00 64.05 61.14 1n4i n THR 7 Cb 0.00 -4.83 0.00 0.00 -1.82 0.00 0.00 70.33 63.68 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 -3.01 -7.80 0.00 8.00 3.02 0.76 -3.02 115.26 113.22 1n4i n ASN 8 Ca -0.18 1.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1n4i n ASN 8 Cb 0.64 -5.18 0.00 0.00 -0.61 0.00 0.00 39.78 34.63 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n4i n SER 9 N 0.64 0.28 -3.86 6.41 7.64 -1.05 -4.07 113.62 119.60 1n4i n SER 9 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1n4i n SER 9 Cb 0.02 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.07 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 2.23 1.10 -0.56 1.43 1.11 -1.24 -4.90 119.66 118.83 1n4i s GLN 10 Ca 0.00 -1.36 -0.11 0.00 0.01 0.00 0.00 55.36 53.90 1n4i s GLN 10 Cb 0.00 -2.52 0.14 0.00 -1.01 0.00 0.00 33.01 29.62 1n4i s GLN 10 CO 0.00 -0.92 0.45 -1.17 0.01 0.00 0.00 175.29 173.66 1n4i s LEU 11 N 1.32 5.92 0.05 2.90 2.96 -1.26 0.24 118.68 130.81 1n4i s LEU 11 Ca 0.09 -2.11 -0.28 0.00 -0.22 0.00 0.00 54.13 51.60 1n4i s LEU 11 Cb -0.18 -2.07 -0.15 0.00 0.50 0.00 0.00 46.19 44.30 1n4i s LEU 11 CO -0.16 -0.67 0.69 -0.24 -1.32 0.00 0.00 176.35 174.64 1n4i n SER 12 N 4.68 -0.34 0.17 3.68 2.88 -1.04 -4.67 113.62 118.98 1n4i n SER 12 Ca -0.04 0.90 0.16 0.00 -1.33 0.00 0.00 58.87 58.56 1n4i n SER 12 Cb 0.41 -0.73 0.59 0.00 -0.75 0.00 0.00 64.21 63.73 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i h ALA 13 N 1.82 1.97 0.00 -1.46 0.00 -1.93 0.87 119.26 120.53 1n4i h ALA 13 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1n4i h ALA 13 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n4i h ALA 13 CO 0.49 -0.80 -1.00 0.27 0.00 0.00 0.00 179.25 178.22 1n4i n ASN 14 N -3.13 0.68 -3.19 0.00 6.94 -1.26 -4.83 115.26 110.46 1n4i n ASN 14 Ca 0.06 -0.48 -0.21 0.00 -0.02 0.00 0.00 54.58 53.93 1n4i n ASN 14 Cb 0.76 0.86 0.19 0.00 -2.36 0.00 0.00 39.78 39.23 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1n4i n SER 15 N -1.74 -2.72 -4.20 0.53 2.88 0.30 -4.80 113.62 103.87 1n4i n SER 15 Ca 0.03 -0.77 -0.22 0.00 -1.33 0.00 0.00 58.87 56.57 1n4i n SER 15 Cb 0.39 -0.70 -0.13 0.00 -0.75 0.00 0.00 64.21 63.02 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 -4.58 1.11 -0.23 -1.46 2.20 -0.96 -4.72 119.74 111.09 1n4i s LYS 16 Ca 0.48 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 1n4i s LYS 16 Cb -0.07 -1.19 0.06 0.00 -1.51 0.00 0.00 37.83 35.12 1n4i s LYS 16 CO 0.39 0.29 -0.07 0.00 -0.36 0.00 0.00 175.35 175.60 1n4i n GLU 18 N 4.65 3.34 -0.30 0.00 4.07 -1.26 -4.92 120.64 126.23 1n4i n GLU 18 Ca -0.13 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.05 1n4i n GLU 18 Cb 0.44 0.00 0.23 0.00 -0.06 0.00 0.00 31.44 32.05 1n4i n GLU 18 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1n4i n LYS 19 N 0.00 2.35 -0.65 5.31 2.85 -1.25 -4.95 118.16 121.83 1n4i n LYS 19 Ca 0.00 -1.83 -0.28 0.00 -1.05 0.00 0.00 58.31 55.15 1n4i n LYS 19 Cb 0.00 -1.47 0.24 0.00 -0.65 0.00 0.00 35.03 33.15 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1n4i s SER 20 N -0.93 1.21 -0.42 -5.58 1.04 0.19 -4.86 113.70 104.35 1n4i s SER 20 Ca 0.34 1.47 -0.16 0.00 0.48 0.00 0.00 55.95 58.08 1n4i s SER 20 Cb 0.19 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 64.10 1n4i s SER 20 CO 0.21 -4.05 0.34 -0.89 0.98 0.00 0.00 173.24 169.84 1n4i s THR 21 N -2.54 5.21 -0.04 2.02 2.01 0.37 -4.95 115.64 117.72 1n4i s THR 21 Ca 0.68 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 1n4i s THR 21 Cb -0.24 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1n4i s THR 21 CO 0.63 -0.36 0.18 -0.76 -0.69 0.00 0.00 174.62 173.63 1n4i s LEU 22 N 1.80 4.38 -0.25 4.42 2.01 -1.25 -2.97 118.68 126.81 1n4i s LEU 22 Ca 0.07 0.42 -0.02 0.00 0.01 0.00 0.00 54.13 54.61 1n4i s LEU 22 Cb -0.19 -2.46 0.14 0.00 0.01 0.00 0.00 46.19 43.68 1n4i s LEU 22 CO 0.11 0.31 0.37 -0.89 1.01 0.00 0.00 176.35 177.25 1n4i s THR 23 N -1.23 -0.58 -1.42 5.49 2.01 -1.04 -4.31 115.64 114.55 1n4i s THR 23 Ca 0.24 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 1n4i s THR 23 Cb -0.13 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.59 1n4i s THR 23 CO 0.14 -0.17 0.88 0.59 -0.69 0.00 0.00 174.62 175.37 1n4i n ASN 24 N 5.36 -3.32 -3.62 3.53 5.03 -1.17 -1.84 115.26 119.23 1n4i n ASN 24 Ca -0.03 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.64 1n4i n ASN 24 Cb 0.50 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.21 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4i n TYR 26 N -0.46 0.00 -1.24 0.00 9.36 -1.10 -3.72 117.16 120.00 1n4i n TYR 26 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 1n4i n TYR 26 Cb 0.00 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.87 1n4i n TYR 26 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1n4i s VAL 27 N 0.00 2.27 0.00 2.97 1.01 0.66 -3.63 120.40 123.68 1n4i s VAL 27 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1n4i s VAL 27 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1n4i s VAL 27 CO 0.00 -0.11 0.00 -0.67 0.00 0.00 0.00 175.10 174.32 1n4i n ASP 28 N -4.02 0.00 -2.79 3.32 -0.08 -1.23 -2.50 116.55 109.25 1n4i n ASP 28 Ca 0.06 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.24 1n4i n ASP 28 Cb 0.57 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.09 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1n4i n LYS 29 N -1.01 0.90 -3.23 -0.67 5.02 -1.26 -4.56 118.16 113.36 1n4i n LYS 29 Ca 0.00 -2.00 -0.11 0.00 -2.02 0.00 0.00 58.31 54.19 1n4i n LYS 29 Cb 0.00 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1n4i n LYS 29 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1n4i n SER 30 N 0.93 -0.62 0.03 4.39 7.64 -1.26 0.13 113.62 124.85 1n4i n SER 30 Ca 0.09 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.70 1n4i n SER 30 Cb 0.66 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 65.13 1n4i n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n4i n GLU 31 N -0.37 0.00 -0.81 1.43 1.02 -1.22 -2.27 120.64 118.41 1n4i n GLU 31 Ca 0.03 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.27 1n4i n GLU 31 Cb 0.37 -0.16 -0.04 0.00 -0.02 0.00 0.00 31.44 31.58 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n4i n VAL 32 N -2.89 -0.22 0.02 2.62 0.31 -0.94 -4.21 118.33 113.02 1n4i n VAL 32 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 1n4i n VAL 32 Cb 0.00 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1n4i n VAL 32 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n4i n TYR 33 N -3.44 -2.72 -0.13 3.52 4.01 -1.21 -4.69 117.16 112.50 1n4i n TYR 33 Ca -0.04 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1n4i n TYR 33 Cb 0.38 0.87 0.00 0.00 -0.31 0.00 0.00 39.34 40.28 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n4i n GLY 34 N -1.48 -0.51 3.31 2.72 0.00 -1.16 0.53 105.19 108.60 1n4i n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1n4i n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n4i n THR 35 N -0.22 0.00 0.28 2.61 -1.04 0.56 -4.01 114.28 112.45 1n4i n THR 35 Ca 0.00 -0.25 0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1n4i n THR 35 Cb 0.03 -0.49 -0.13 0.00 -1.82 0.00 0.00 70.33 67.92 1n4i n THR 35 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1n4i n THR 36 N -3.57 0.00 -2.82 12.58 -2.24 -1.13 -0.48 114.28 116.62 1n4i n THR 36 Ca 0.04 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 1n4i n THR 36 Cb 0.56 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n4i s THR 38 N -0.38 3.45 -1.26 0.00 2.01 -1.25 -2.48 115.64 115.73 1n4i s THR 38 Ca -0.16 -3.10 -0.19 0.00 0.31 0.00 0.00 61.69 58.54 1n4i s THR 38 Cb 0.01 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1n4i s THR 38 CO 0.44 -0.87 0.60 0.61 -0.69 0.00 0.00 174.62 174.71 1n4i n GLY 39 N 3.33 -0.69 2.08 4.40 0.00 -0.76 -3.90 105.19 109.64 1n4i n GLY 39 Ca 0.08 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.58 0.79 -3.62 1.61 2.88 -1.24 -4.72 113.62 106.74 1n4i n SER 40 Ca -0.17 -2.36 -0.15 0.00 -1.33 0.00 0.00 58.87 54.86 1n4i n SER 40 Cb 0.61 0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 64.74 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 -2.95 0.92 0.29 -1.46 1.70 -1.26 -2.71 118.95 113.48 1n4i s ARG 41 Ca 0.15 -0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.41 1n4i s ARG 41 Cb 0.01 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1n4i s ARG 41 CO 0.11 -0.29 0.06 1.19 -1.08 0.00 0.00 175.30 175.29 1n4i n PHE 42 N 0.91 0.25 -2.46 5.89 3.72 -1.24 -3.80 117.46 120.73 1n4i n PHE 42 Ca -0.20 -1.38 -0.02 0.00 -0.05 0.00 0.00 57.45 55.80 1n4i n PHE 42 Cb 0.57 -0.20 0.06 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.36 -0.91 0.00 4.37 2.03 -1.26 -3.58 116.55 115.84 1n4i n ASP 43 Ca -0.09 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.51 1n4i n ASP 43 Cb 0.36 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n4i n GLY 44 N -0.83 0.19 0.00 0.27 0.00 0.34 -4.14 105.19 101.03 1n4i n GLY 44 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.70 1.61 0.24 0.90 -1.94 118.33 116.44 1n4i n VAL 45 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 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 -1.65 3.34 -1.04 0.90 -3.41 114.28 112.42 1n4i n THR 46 Ca 0.00 -1.25 -0.29 0.00 -2.04 0.00 0.00 64.05 60.47 1n4i n THR 46 Cb 0.00 1.18 0.14 0.00 -1.82 0.00 0.00 70.33 69.83 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 0.18 1.98 0.00 12.58 2.07 -1.26 -3.87 121.20 132.88 1n4i s ILE 47 Ca 0.20 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 1n4i s ILE 47 Cb 0.30 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 40.06 1n4i s ILE 47 CO -0.08 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.30 1n4i n THR 48 N -3.71 0.00 -1.81 4.00 -2.24 -0.33 -2.21 114.28 107.98 1n4i n THR 48 Ca 0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1n4i n THR 48 Cb 0.60 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1n4i n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n4i s THR 49 N 2.77 3.23 -0.03 4.28 2.01 -1.26 -0.33 115.64 126.31 1n4i s THR 49 Ca 0.00 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1n4i s THR 49 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1n4i s THR 49 CO 0.00 -0.49 0.19 -0.44 -0.69 0.00 0.00 174.62 173.20 1n4i s SER 50 N 9.47 -0.11 -0.31 3.53 0.01 -1.26 -1.71 113.70 123.33 1n4i s SER 50 Ca 0.81 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 58.05 1n4i s SER 50 Cb -0.10 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1n4i s SER 50 CO 0.04 -0.26 0.22 -0.89 0.41 0.00 0.00 173.24 172.76 1n4i s THR 51 N -0.77 5.29 -0.05 1.44 2.01 -0.57 -2.86 115.64 120.13 1n4i s THR 51 Ca -0.09 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1n4i s THR 51 Cb -0.05 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1n4i s THR 51 CO 0.01 0.13 0.01 -0.44 -0.69 0.00 0.00 174.62 173.64 1n4i s SER 52 N 1.74 1.07 -0.45 3.53 0.01 -1.23 0.25 113.70 118.62 1n4i s SER 52 Ca 0.07 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1n4i s SER 52 Cb -0.17 -0.32 0.11 0.00 0.21 0.00 0.00 66.02 65.86 1n4i s SER 52 CO 0.11 -0.16 0.29 -0.89 0.41 0.00 0.00 173.24 173.00 1n4i s THR 53 N 1.59 3.88 -0.06 1.44 2.01 -0.91 -3.86 115.64 119.71 1n4i s THR 53 Ca -0.02 -1.86 -0.02 0.00 0.31 0.00 0.00 61.69 60.11 1n4i s THR 53 Cb -0.13 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1n4i s THR 53 CO -0.03 -0.73 0.06 0.61 -0.69 0.00 0.00 174.62 173.84 1n4i n GLY 54 N 4.80 -1.64 3.43 4.40 0.00 -1.25 0.26 105.19 115.18 1n4i n GLY 54 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 -1.10 -0.42 1.61 1.04 -1.26 0.63 113.70 113.30 1n4i s SER 55 Ca 0.03 1.26 -0.29 0.00 0.48 0.00 0.00 55.95 57.43 1n4i s SER 55 Cb -0.01 2.14 0.01 0.00 0.10 0.00 0.00 66.02 68.26 1n4i s SER 55 CO 0.13 -0.24 1.39 -0.60 0.98 0.00 0.00 173.24 174.91 1n4i s ARG 56 N 2.85 3.57 0.00 4.02 3.52 0.16 -4.35 118.95 128.71 1n4i s ARG 56 Ca 0.04 0.89 0.23 0.00 -0.13 0.00 0.00 55.73 56.76 1n4i s ARG 56 Cb -0.13 -4.02 0.94 0.00 -1.56 0.00 0.00 34.95 30.17 1n4i s ARG 56 CO -0.19 -1.57 1.66 -0.89 -0.81 0.00 0.00 175.30 173.49 1n4i n ILE 57 N 7.07 0.12 -0.96 4.11 2.08 -1.24 -3.07 119.36 127.46 1n4i n ILE 57 Ca 0.16 -0.26 -0.36 0.00 0.56 0.00 0.00 62.75 62.85 1n4i n ILE 57 Cb 0.48 0.26 0.05 0.00 -0.75 0.00 0.00 39.64 39.69 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 0.06 -4.61 0.00 4.38 7.64 -1.26 -4.55 113.62 115.28 1n4i n SER 58 Ca 0.17 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1n4i n SER 58 Cb 0.29 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 3.20 4.36 2.62 0.23 0.00 -1.23 -4.57 105.19 109.80 1n4i n GLY 59 Ca -0.01 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.70 1.86 0.00 1.61 -0.04 -1.26 -3.00 135.00 132.47 1n4i n PRO 60 Ca 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1n4i n PRO 60 Cb 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 3.71 1.95 3.65 0.55 0.00 -1.13 -5.06 105.19 108.86 1n4i n GLY 61 Ca 0.40 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.93 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 1.13 1.36 -0.13 0.00 -0.14 -1.26 -0.07 119.74 120.63 1n4i s LYS 63 Ca 0.83 -1.30 -0.10 0.00 -1.36 0.00 0.00 55.97 54.04 1n4i s LYS 63 Cb -0.79 -1.81 0.04 0.00 -1.68 0.00 0.00 37.83 33.60 1n4i s LYS 63 CO 0.43 0.43 0.33 0.42 -0.76 0.00 0.00 175.35 176.20 1n4i s ILE 64 N -1.07 -0.02 -0.09 2.17 -1.09 -1.25 -4.55 121.20 115.31 1n4i s ILE 64 Ca 0.12 0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1n4i s ILE 64 Cb -0.10 -0.49 0.04 0.00 -1.58 0.00 0.00 42.46 40.33 1n4i s ILE 64 CO 0.06 0.02 0.08 -0.94 -1.23 0.00 0.00 174.94 172.93 1n4i s SER 65 N 0.75 1.50 -0.77 3.58 1.04 -1.26 -1.19 113.70 117.34 1n4i s SER 65 Ca -0.05 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 1n4i s SER 65 Cb -0.06 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1n4i s SER 65 CO -0.05 -0.28 0.63 0.41 0.98 0.00 0.00 173.24 174.93 1n4i n THR 66 N 5.30 -5.33 -4.05 2.02 -1.04 -0.69 -3.28 114.28 107.20 1n4i n THR 66 Ca -0.04 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.05 61.71 1n4i n THR 66 Cb 0.50 -4.11 -0.17 0.00 -1.82 0.00 0.00 70.33 64.73 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 1.28 4.85 0.46 0.00 1.09 -1.25 -1.52 121.20 126.11 1n4i s ILE 68 Ca -0.05 -2.42 -0.04 0.00 -1.10 0.00 0.00 60.65 57.04 1n4i s ILE 68 Cb -0.14 -4.95 -0.03 0.00 -1.06 0.00 0.00 42.46 36.28 1n4i s ILE 68 CO -0.02 -1.68 0.74 -0.63 -0.10 0.00 0.00 174.94 173.25 1n4i s ILE 69 N 2.13 4.85 -0.33 2.92 1.01 0.69 -1.39 121.20 131.07 1n4i s ILE 69 Ca 0.44 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.17 1n4i s ILE 69 Cb -0.02 -3.83 0.19 0.00 0.01 0.00 0.00 42.46 38.82 1n4i s ILE 69 CO 0.00 -0.75 0.63 -0.89 0.00 0.00 0.00 174.94 173.94 1n4i s THR 70 N -2.66 -0.95 0.00 2.92 2.01 0.94 -2.15 115.64 115.75 1n4i s THR 70 Ca 0.46 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1n4i s THR 70 Cb -0.10 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1n4i s THR 70 CO 0.43 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1n4i n GLY 71 N 5.05 1.30 1.88 4.40 0.00 0.72 -3.89 105.19 114.66 1n4i n GLY 71 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.99 0.48 3.11 -0.02 0.00 0.20 -4.23 105.19 103.74 1n4i n GLY 72 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 1.67 0.30 1.61 -7.23 -1.25 -4.18 120.40 109.32 1n4i s VAL 73 Ca 0.00 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.13 1n4i s VAL 73 Cb 0.00 -1.49 -0.10 0.00 0.56 0.00 0.00 36.38 35.35 1n4i s VAL 73 CO 0.00 0.47 0.94 -2.16 -0.31 0.00 0.00 175.10 174.05 1n4i s PRO 74 N 0.73 4.67 0.29 4.82 0.04 -1.26 -0.04 135.00 144.25 1n4i s PRO 74 Ca -0.11 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 1n4i s PRO 74 Cb -0.16 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 1n4i s PRO 74 CO 0.02 0.35 0.67 0.00 0.04 0.00 0.00 177.00 178.09 1n4i s ALA 75 N -1.48 3.40 -0.58 8.56 0.00 -0.48 -4.90 121.76 126.28 1n4i s ALA 75 Ca 0.47 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1n4i s ALA 75 Cb -0.21 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 1n4i s ALA 75 CO 0.26 0.39 1.91 -0.35 0.00 0.00 0.00 175.76 177.97 1n4i n PRO 76 N -0.28 1.52 -3.75 0.00 -0.04 -1.26 -4.66 135.00 126.52 1n4i n PRO 76 Ca 0.02 -1.09 -0.31 0.00 -0.04 0.00 0.00 63.50 62.09 1n4i n PRO 76 Cb 0.53 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 1n4i n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n4i s SER 77 N 3.44 6.43 0.00 3.54 0.15 -1.26 -4.97 113.70 121.04 1n4i s SER 77 Ca 0.32 0.46 0.20 0.00 0.70 0.00 0.00 55.95 57.63 1n4i s SER 77 Cb 0.10 -2.04 0.98 0.00 -1.71 0.00 0.00 66.02 63.35 1n4i s SER 77 CO -0.02 0.07 1.65 0.00 1.20 0.00 0.00 173.24 176.14 1n4i n ALA 78 N 0.02 2.03 0.22 5.45 0.00 -1.26 -2.96 120.51 124.00 1n4i n ALA 78 Ca -0.04 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1n4i n ALA 78 Cb 0.52 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.36 2.94 -2.12 0.00 0.00 -1.26 -4.96 120.51 113.75 1n4i n ALA 79 Ca 0.08 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1n4i n ALA 79 Cb 0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 1.24 2.50 -0.36 0.00 0.00 -1.21 -4.91 119.74 117.00 1n4i s LYS 81 Ca 0.66 -1.58 0.00 0.00 0.00 0.00 0.00 55.97 55.05 1n4i s LYS 81 Cb -0.38 -2.39 0.18 0.00 0.00 0.00 0.00 37.83 35.24 1n4i s LYS 81 CO 0.30 -0.31 0.80 0.42 0.00 0.00 0.00 175.35 176.57 1n4i s ILE 82 N -2.52 -0.67 0.06 3.79 1.09 -1.26 -4.79 121.20 116.90 1n4i s ILE 82 Ca 0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 60.01 1n4i s ILE 82 Cb -0.04 -0.10 -0.01 0.00 -1.06 0.00 0.00 42.46 41.26 1n4i s ILE 82 CO 0.28 0.00 -0.04 -0.24 -0.10 0.00 0.00 174.94 174.84 1n4i n SER 83 N 4.28 1.14 -2.77 3.58 2.88 -1.26 -4.94 113.62 116.54 1n4i n SER 83 Ca 0.08 0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1n4i n SER 83 Cb 0.59 -0.37 0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4i n GLY 84 N 3.20 1.84 0.00 0.46 0.00 -1.26 -5.10 105.19 104.34 1n4i n GLY 84 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i n THR 86 N 0.00 0.00 -0.02 0.00 5.66 -1.26 -4.97 114.28 113.69 1n4i n THR 86 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1n4i n THR 86 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 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 -0.75 0.00 -0.96 1.09 3.72 -1.17 -3.72 117.46 115.66 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 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1n4i n PHE 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1n4i n SER 88 N -3.31 -3.58 -2.94 4.37 2.88 -1.26 0.36 113.62 110.15 1n4i n SER 88 Ca -0.05 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1n4i n SER 88 Cb 0.17 -1.67 0.01 0.00 -0.75 0.00 0.00 64.21 61.96 1n4i n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 89 N 1.00 -2.95 0.00 -1.46 0.00 -1.26 -4.66 120.51 111.18 1n4i n ALA 89 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1n4i n ALA 89 Cb 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77