#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 -1.70 0.00 0.44 0.00 -1.26 -4.99 105.19 97.69 1n4i n GLY 2 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.90 0.00 0.00 1.61 7.64 -1.26 -4.86 113.62 115.85 1n4i n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1n4i n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -2.25 0.00 -1.04 -1.26 -1.40 114.28 108.33 1n4i n THR 5 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1n4i n THR 5 Cb 0.00 -1.46 -0.01 0.00 -1.82 0.00 0.00 70.33 67.04 1n4i n THR 5 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n4i n ASN 6 N -0.96 -3.47 0.00 8.00 5.15 -1.26 0.25 115.26 122.97 1n4i n ASN 6 Ca -0.11 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1n4i n ASN 6 Cb 0.56 -3.02 0.00 0.00 -0.53 0.00 0.00 39.78 36.79 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1n4i n THR 7 N -3.03 0.00 0.00 -0.44 -1.04 -0.49 -1.89 114.28 107.39 1n4i n THR 7 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1n4i n THR 7 Cb 0.56 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 0.00 0.00 8.00 5.03 0.69 -4.98 115.26 124.01 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1n4i n SER 9 N 0.00 0.00 -0.05 6.41 3.41 0.06 -3.91 113.62 119.54 1n4i n SER 9 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1n4i n SER 9 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1n4i n GLN 10 N 0.00 0.25 -3.13 4.33 7.27 -1.26 -4.86 117.38 119.98 1n4i n GLN 10 Ca 0.00 0.08 -0.10 0.00 0.07 0.00 0.00 57.00 57.05 1n4i n GLN 10 Cb 0.00 -1.08 0.01 0.00 2.41 0.00 0.00 30.24 31.58 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1n4i n LEU 11 N -3.09 -4.73 -4.33 1.69 7.94 0.66 -4.75 117.00 110.39 1n4i n LEU 11 Ca -0.20 0.51 -0.40 0.00 -1.11 0.00 0.00 56.01 54.81 1n4i n LEU 11 Cb 0.68 -2.15 0.01 0.00 0.53 0.00 0.00 43.42 42.49 1n4i n LEU 11 CO 0.07 -1.58 -0.35 -0.24 -1.11 0.00 0.00 177.39 174.18 1n4i n SER 12 N 0.66 -2.56 0.32 1.96 2.88 0.50 -4.69 113.62 112.69 1n4i n SER 12 Ca -0.01 0.74 0.20 0.00 -1.33 0.00 0.00 58.87 58.48 1n4i n SER 12 Cb 0.43 -0.96 1.07 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.23 1.11 -0.01 -1.46 0.00 -1.87 0.54 119.26 117.81 1n4i h ALA 13 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n4i h ALA 13 Cb 1.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1n4i h ALA 13 CO 0.45 0.01 -0.15 -1.71 0.00 0.00 0.00 179.25 177.85 1n4i n ASN 14 N -3.26 0.82 -2.66 0.00 5.15 -1.26 -0.79 115.26 113.27 1n4i n ASN 14 Ca -0.02 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 1n4i n ASN 14 Cb 0.11 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.68 -0.02 -2.99 1.20 2.88 0.18 -4.46 113.62 109.72 1n4i n SER 15 Ca 0.14 -0.36 -0.11 0.00 -1.33 0.00 0.00 58.87 57.22 1n4i n SER 15 Cb 0.31 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.11 2.16 0.00 -1.46 2.20 -1.01 -3.24 119.74 117.27 1n4i s LYS 16 Ca 0.00 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 1n4i s LYS 16 Cb 0.00 0.57 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 1n4i s LYS 16 CO 0.00 -0.98 0.00 0.00 -0.36 0.00 0.00 175.35 174.01 1n4i h GLU 18 N 0.00 -0.00 -0.65 0.00 4.81 -1.90 -3.36 114.58 113.48 1n4i h GLU 18 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1n4i h GLU 18 Cb 0.00 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 1n4i h GLU 18 CO 0.00 -0.00 -0.45 1.63 -0.73 0.00 0.00 179.01 179.46 1n4i n LYS 19 N -5.58 0.56 0.00 1.92 4.76 -1.26 -5.15 118.16 113.42 1n4i n LYS 19 Ca 0.14 -1.83 0.00 0.00 -2.87 0.00 0.00 58.31 53.75 1n4i n LYS 19 Cb 0.45 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1n4i n LYS 19 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1n4i n SER 20 N 2.53 0.50 -2.88 4.39 7.64 -0.81 -4.37 113.62 120.62 1n4i n SER 20 Ca 0.15 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1n4i n SER 20 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1n4i n SER 20 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n4i n THR 21 N 0.00 -0.24 -2.35 0.44 -2.24 -1.21 -4.94 114.28 103.74 1n4i n THR 21 Ca 0.00 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 1n4i n THR 21 Cb 0.00 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1n4i n THR 21 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n4i n LEU 22 N 2.53 0.00 0.00 3.22 4.77 -1.26 -3.90 117.00 122.36 1n4i n LEU 22 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1n4i n LEU 22 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1n4i n LEU 22 CO 0.02 -0.37 0.00 0.41 -1.33 0.00 0.00 177.39 176.13 1n4i n THR 23 N -0.87 0.00 -2.14 -5.08 -1.04 -0.79 -4.70 114.28 99.66 1n4i n THR 23 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1n4i n THR 23 Cb 0.00 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1n4i n THR 23 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 24 N -2.30 0.20 -3.55 8.00 3.02 -1.24 -3.61 115.26 115.79 1n4i n ASN 24 Ca 0.00 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1n4i n ASN 24 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.24 -3.10 -1.89 0.00 4.02 -1.00 -4.17 117.16 110.77 1n4i n TYR 26 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1n4i n TYR 26 Cb 0.00 1.53 0.00 0.00 -0.02 0.00 0.00 39.34 40.85 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1n4i n VAL 27 N -2.77 -6.62 -0.01 -0.72 0.31 -1.26 0.24 118.33 107.50 1n4i n VAL 27 Ca 0.00 1.66 0.05 0.00 -0.01 0.00 0.00 64.34 66.04 1n4i n VAL 27 Cb 0.00 -3.14 -0.10 0.00 -0.91 0.00 0.00 33.84 29.69 1n4i n VAL 27 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1n4i n ASP 28 N 1.78 2.18 -2.83 4.52 -0.08 -0.56 0.19 116.55 121.75 1n4i n ASP 28 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1n4i n ASP 28 Cb 0.00 1.50 0.01 0.00 2.34 0.00 0.00 41.12 44.97 1n4i n ASP 28 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1n4i s LYS 29 N -2.81 0.61 0.21 -0.67 1.02 -1.26 -4.61 119.74 112.24 1n4i s LYS 29 Ca -0.05 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 1n4i s LYS 29 Cb 0.08 0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1n4i s LYS 29 CO 0.51 -0.80 0.64 -1.12 -0.92 0.00 0.00 175.35 173.66 1n4i s SER 30 N 1.31 -0.42 -0.41 2.83 0.01 -1.26 0.27 113.70 116.04 1n4i s SER 30 Ca 0.22 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1n4i s SER 30 Cb 0.03 0.65 0.11 0.00 0.21 0.00 0.00 66.02 67.02 1n4i s SER 30 CO -0.09 -1.12 0.13 -0.70 0.41 0.00 0.00 173.24 171.87 1n4i s GLU 31 N -3.83 1.68 0.50 12.44 2.12 -0.97 -2.40 118.70 128.24 1n4i s GLU 31 Ca 0.06 -2.13 0.02 0.00 0.36 0.00 0.00 54.97 53.28 1n4i s GLU 31 Cb -0.03 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.12 1n4i s GLU 31 CO -0.04 -1.00 0.71 0.08 -0.54 0.00 0.00 175.26 174.46 1n4i s VAL 32 N 0.50 3.05 0.00 3.70 1.01 -1.23 -2.62 120.40 124.81 1n4i s VAL 32 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1n4i s VAL 32 Cb -0.21 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1n4i s VAL 32 CO -0.05 -0.07 0.00 -1.22 0.00 0.00 0.00 175.10 173.76 1n4i n TYR 33 N -2.18 -0.36 -2.28 5.22 4.02 -1.24 -4.17 117.16 116.16 1n4i n TYR 33 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.96 1n4i n TYR 33 Cb 0.59 0.14 -0.00 0.00 -0.02 0.00 0.00 39.34 40.05 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 -0.03 0.81 3.83 2.72 0.00 -1.22 -1.91 105.19 109.39 1n4i n GLY 34 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 4.49 -0.89 2.61 2.01 -0.95 -3.29 115.64 119.63 1n4i s THR 35 Ca 0.19 1.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 1n4i s THR 35 Cb 0.22 -3.60 0.23 0.00 0.01 0.00 0.00 72.50 69.36 1n4i s THR 35 CO -0.10 -0.28 2.22 1.07 -0.69 0.00 0.00 174.62 176.85 1n4i n THR 36 N -0.55 4.51 -1.37 -0.82 5.66 -1.19 -3.36 114.28 117.15 1n4i n THR 36 Ca 0.06 -4.44 -0.34 0.00 -3.05 0.00 0.00 64.05 56.28 1n4i n THR 36 Cb 0.54 -1.56 -0.15 0.00 -1.55 0.00 0.00 70.33 67.60 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n4i n THR 38 N 6.51 4.74 -1.90 0.00 -1.04 -1.26 -2.17 114.28 119.16 1n4i n THR 38 Ca 0.61 -5.80 -0.03 0.00 -2.04 0.00 0.00 64.05 56.79 1n4i n THR 38 Cb 0.05 -2.06 0.02 0.00 -1.82 0.00 0.00 70.33 66.52 1n4i n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n4i n GLY 39 N 1.15 0.46 0.00 3.41 0.00 -1.26 -4.48 105.19 104.47 1n4i n GLY 39 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1n4i n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 40 N -1.85 0.31 -3.60 1.61 7.64 -1.26 -4.66 113.62 111.82 1n4i n SER 40 Ca -0.02 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.83 1n4i n SER 40 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1n4i n SER 40 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1n4i s ARG 41 N -1.69 0.79 0.46 1.43 3.52 -1.26 -2.38 118.95 119.82 1n4i s ARG 41 Ca 0.00 0.65 0.06 0.00 -0.13 0.00 0.00 55.73 56.30 1n4i s ARG 41 Cb 0.00 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1n4i s ARG 41 CO 0.00 -0.15 0.19 -0.06 -0.81 0.00 0.00 175.30 174.47 1n4i s PHE 42 N -0.18 2.25 -0.34 5.12 0.08 -1.26 -3.53 117.98 120.13 1n4i s PHE 42 Ca -0.02 -0.71 0.14 0.00 0.12 0.00 0.00 56.93 56.45 1n4i s PHE 42 Cb -0.03 -1.88 0.42 0.00 -0.57 0.00 0.00 43.02 40.96 1n4i s PHE 42 CO 0.01 0.06 1.40 -3.47 -0.10 0.00 0.00 175.22 173.13 1n4i n ASP 43 N -1.34 -0.95 0.00 1.36 -0.08 -1.26 -1.49 116.55 112.78 1n4i n ASP 43 Ca -0.05 -2.28 0.00 0.00 -1.51 0.00 0.00 54.79 50.96 1n4i n ASP 43 Cb 0.65 0.52 0.00 0.00 2.34 0.00 0.00 41.12 44.63 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 -1.10 0.56 0.00 0.27 0.00 0.76 -4.03 105.19 101.65 1n4i n GLY 44 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.82 1.61 0.24 0.42 -2.52 118.33 115.27 1n4i n VAL 45 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1n4i n VAL 45 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.01 -1.96 3.34 -1.04 -1.12 -2.30 114.28 111.20 1n4i n THR 46 Ca 0.00 -2.17 -0.29 0.00 -2.04 0.00 0.00 64.05 59.55 1n4i n THR 46 Cb 0.00 1.07 0.07 0.00 -1.82 0.00 0.00 70.33 69.66 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 -0.38 2.50 0.00 12.58 2.07 -1.08 -2.63 121.20 134.26 1n4i s ILE 47 Ca 0.26 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 1n4i s ILE 47 Cb 0.32 -3.14 0.00 0.00 0.13 0.00 0.00 42.46 39.76 1n4i s ILE 47 CO -0.06 -0.18 0.00 0.35 -1.91 0.00 0.00 174.94 173.14 1n4i n THR 48 N -3.15 0.00 -1.54 4.00 -2.24 -1.20 -3.57 114.28 106.57 1n4i n THR 48 Ca 0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1n4i n THR 48 Cb 0.60 0.00 -0.10 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 0.00 -3.85 4.28 -1.04 -1.26 -2.23 114.28 110.18 1n4i n THR 49 Ca 0.00 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1n4i n THR 49 Cb 0.00 -1.82 -0.14 0.00 -1.82 0.00 0.00 70.33 66.55 1n4i n THR 49 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1n4i s SER 50 N 8.65 -0.06 -0.30 8.00 0.01 -1.21 -2.58 113.70 126.22 1n4i s SER 50 Ca 0.83 0.12 -0.21 0.00 1.31 0.00 0.00 55.95 57.99 1n4i s SER 50 Cb -0.10 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1n4i s SER 50 CO 0.15 -0.03 0.69 -0.89 0.41 0.00 0.00 173.24 173.57 1n4i s THR 51 N 0.09 4.90 -0.16 1.44 2.01 -0.83 -3.15 115.64 119.94 1n4i s THR 51 Ca -0.01 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1n4i s THR 51 Cb -0.01 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.51 1n4i s THR 51 CO -0.00 -0.15 0.01 -0.94 -0.69 0.00 0.00 174.62 172.85 1n4i s SER 52 N 1.60 2.56 -0.80 3.53 1.04 -1.23 0.26 113.70 120.66 1n4i s SER 52 Ca 0.28 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1n4i s SER 52 Cb -0.15 -0.62 0.19 0.00 0.10 0.00 0.00 66.02 65.55 1n4i s SER 52 CO 0.11 -0.26 0.79 -0.89 0.98 0.00 0.00 173.24 173.98 1n4i s THR 53 N 1.84 5.43 -0.02 2.02 2.01 -0.79 -4.20 115.64 121.93 1n4i s THR 53 Ca 0.01 -2.20 -0.02 0.00 0.31 0.00 0.00 61.69 59.79 1n4i s THR 53 Cb -0.16 -4.50 0.01 0.00 0.01 0.00 0.00 72.50 67.86 1n4i s THR 53 CO -0.07 -1.08 0.04 0.61 -0.69 0.00 0.00 174.62 173.42 1n4i n GLY 54 N 4.35 -3.97 3.15 4.40 0.00 -1.26 0.26 105.19 112.11 1n4i n GLY 54 Ca 0.12 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.25 -0.36 -0.36 1.61 1.04 -1.26 0.24 113.70 114.37 1n4i s SER 55 Ca -0.04 0.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 1n4i s SER 55 Cb 0.00 1.25 -0.05 0.00 0.10 0.00 0.00 66.02 67.32 1n4i s SER 55 CO 0.12 -0.07 2.15 -0.60 0.98 0.00 0.00 173.24 175.82 1n4i s ARG 56 N 2.96 2.84 -0.01 4.02 3.52 -1.26 -4.65 118.95 126.37 1n4i s ARG 56 Ca 0.19 1.59 0.03 0.00 -0.13 0.00 0.00 55.73 57.41 1n4i s ARG 56 Cb -0.04 -4.40 0.11 0.00 -1.56 0.00 0.00 34.95 29.07 1n4i s ARG 56 CO -0.19 -2.44 1.02 -0.89 -0.81 0.00 0.00 175.30 171.99 1n4i n ILE 57 N 7.70 0.21 -1.03 4.11 2.08 -1.23 -2.82 119.36 128.38 1n4i n ILE 57 Ca 0.29 -0.17 -0.33 0.00 0.56 0.00 0.00 62.75 63.10 1n4i n ILE 57 Cb 0.49 -0.01 0.01 0.00 -0.75 0.00 0.00 39.64 39.38 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 -0.10 -3.37 0.00 4.38 7.64 -1.26 -4.60 113.62 116.30 1n4i n SER 58 Ca 0.04 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1n4i n SER 58 Cb 0.15 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 2.24 2.83 2.46 0.23 0.00 -1.17 -4.55 105.19 107.21 1n4i n GLY 59 Ca 0.06 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.68 3.40 0.00 1.61 -0.04 -1.26 -3.66 135.00 134.37 1n4i n PRO 60 Ca 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1n4i n PRO 60 Cb 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 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 3.76 1.60 3.05 0.55 0.00 -1.23 -5.07 105.19 107.85 1n4i n GLY 61 Ca 0.70 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.21 0.39 0.13 0.00 2.20 -1.15 -2.80 119.74 116.31 1n4i s LYS 63 Ca 0.42 0.64 0.08 0.00 -0.36 0.00 0.00 55.97 56.75 1n4i s LYS 63 Cb -0.15 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 1n4i s LYS 63 CO 0.79 -0.62 -0.19 0.42 -0.36 0.00 0.00 175.35 175.39 1n4i s ILE 64 N 2.61 1.70 -0.28 5.43 1.09 -1.08 -4.70 121.20 125.97 1n4i s ILE 64 Ca 0.13 -1.71 -0.01 0.00 -1.10 0.00 0.00 60.65 57.97 1n4i s ILE 64 Cb -0.15 -1.66 0.17 0.00 -1.06 0.00 0.00 42.46 39.76 1n4i s ILE 64 CO -0.17 -0.21 0.50 -0.44 -0.10 0.00 0.00 174.94 174.53 1n4i s SER 65 N -2.28 -0.66 -0.54 3.58 0.01 -1.26 -3.22 113.70 109.32 1n4i s SER 65 Ca 0.10 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 57.77 1n4i s SER 65 Cb -0.08 1.68 0.01 0.00 0.21 0.00 0.00 66.02 67.84 1n4i s SER 65 CO 0.05 -0.29 0.57 0.41 0.41 0.00 0.00 173.24 174.39 1n4i n THR 66 N 5.40 -9.12 -3.84 1.44 -1.04 -1.07 -3.85 114.28 102.19 1n4i n THR 66 Ca -0.01 0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 61.86 1n4i n THR 66 Cb 0.51 -6.55 -0.17 0.00 -1.82 0.00 0.00 70.33 62.29 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 1.83 4.31 0.33 0.00 1.09 -1.26 -1.97 121.20 125.53 1n4i s ILE 68 Ca 0.04 -1.58 0.02 0.00 -1.10 0.00 0.00 60.65 58.04 1n4i s ILE 68 Cb -0.12 -5.03 -0.03 0.00 -1.06 0.00 0.00 42.46 36.22 1n4i s ILE 68 CO -0.06 -1.84 0.51 -0.63 -0.10 0.00 0.00 174.94 172.82 1n4i s ILE 69 N 3.78 4.98 -0.29 2.92 1.01 0.74 -2.20 121.20 132.13 1n4i s ILE 69 Ca 0.46 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1n4i s ILE 69 Cb -0.00 -3.80 0.20 0.00 0.01 0.00 0.00 42.46 38.87 1n4i s ILE 69 CO -0.03 -0.46 0.67 -0.89 0.00 0.00 0.00 174.94 174.24 1n4i s THR 70 N -2.24 -0.87 0.00 2.92 2.01 0.12 -1.89 115.64 115.69 1n4i s THR 70 Ca 0.40 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1n4i s THR 70 Cb -0.09 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1n4i s THR 70 CO 0.34 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1n4i n GLY 71 N 5.37 1.05 2.16 4.40 0.00 0.72 -3.82 105.19 115.06 1n4i n GLY 71 Ca 0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.67 0.68 3.13 -0.02 0.00 0.66 -4.01 105.19 104.96 1n4i n GLY 72 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.10 1.68 0.23 1.61 -7.23 -1.25 -4.11 120.40 109.24 1n4i s VAL 73 Ca 0.00 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.14 1n4i s VAL 73 Cb 0.00 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1n4i s VAL 73 CO 0.00 0.48 0.81 -2.16 -0.31 0.00 0.00 175.10 173.92 1n4i s PRO 74 N 0.58 4.49 0.37 4.82 0.04 -1.26 -0.70 135.00 143.33 1n4i s PRO 74 Ca -0.15 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1n4i s PRO 74 Cb -0.17 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1n4i s PRO 74 CO 0.05 0.44 0.62 0.00 0.04 0.00 0.00 177.00 178.14 1n4i s ALA 75 N -1.39 3.59 -1.26 8.56 0.00 -0.93 -4.94 121.76 125.38 1n4i s ALA 75 Ca 0.42 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1n4i s ALA 75 Cb -0.20 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 1n4i s ALA 75 CO 0.24 -0.03 2.63 -0.35 0.00 0.00 0.00 175.76 178.26 1n4i n PRO 76 N -1.66 2.96 -3.74 0.00 -0.04 -1.26 -4.76 135.00 126.50 1n4i n PRO 76 Ca -0.02 -1.83 -0.36 0.00 -0.04 0.00 0.00 63.50 61.24 1n4i n PRO 76 Cb 0.55 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.33 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 2.66 6.34 0.00 3.54 0.15 -1.26 -4.95 113.70 120.18 1n4i s SER 77 Ca 0.57 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.72 1n4i s SER 77 Cb 0.15 -2.11 0.46 0.00 -1.71 0.00 0.00 66.02 62.82 1n4i s SER 77 CO -0.05 0.26 1.27 0.00 1.20 0.00 0.00 173.24 175.92 1n4i n ALA 78 N 2.89 1.53 0.36 5.45 0.00 -1.26 -1.83 120.51 127.65 1n4i n ALA 78 Ca -0.17 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1n4i n ALA 78 Cb 0.53 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.41 2.95 -1.81 0.00 0.00 -1.26 -4.92 120.51 114.05 1n4i n ALA 79 Ca 0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 1n4i n ALA 79 Cb 0.10 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1n4i n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i n LYS 81 N -3.16 0.47 -3.13 0.00 0.00 -1.25 -4.97 118.16 106.11 1n4i n LYS 81 Ca 0.07 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.31 58.25 1n4i n LYS 81 Cb 0.58 -1.45 -0.02 0.00 -0.00 0.00 0.00 35.03 34.14 1n4i n LYS 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n4i n ILE 82 N -1.63 -0.33 -0.33 0.58 2.08 -1.26 -4.81 119.36 113.65 1n4i n ILE 82 Ca 0.02 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1n4i n ILE 82 Cb 0.36 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 1n4i n ILE 82 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1n4i n SER 83 N -0.39 0.00 -4.56 4.38 2.88 -1.26 -4.96 113.62 109.71 1n4i n SER 83 Ca -0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 1n4i n SER 83 Cb 0.17 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 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 5.00 -0.36 3.95 0.46 0.00 -1.26 -4.72 105.19 108.27 1n4i n GLY 84 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i s THR 86 N -2.04 0.00 0.30 0.00 -1.32 -1.26 -5.05 115.64 106.27 1n4i s THR 86 Ca 0.29 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.85 1n4i s THR 86 Cb 0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 1n4i s THR 86 CO -0.02 0.00 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.95 1n4i s PHE 87 N -1.73 2.13 0.00 9.09 0.08 -1.26 -4.38 117.98 121.92 1n4i s PHE 87 Ca 0.11 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1n4i s PHE 87 Cb -0.01 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 1n4i s PHE 87 CO -0.04 0.42 0.57 0.43 -0.10 0.00 0.00 175.22 176.50 1n4i n SER 88 N -0.66 0.00 0.00 1.36 7.64 -1.13 -4.81 113.62 116.02 1n4i n SER 88 Ca -0.05 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1n4i n SER 88 Cb 0.63 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.00 0.00 -0.03 -0.43 0.00 -1.26 -4.60 120.51 114.19 1n4i n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n4i n ALA 89 Cb 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77