#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 1.96 2.78 6.12 0.00 -1.26 -4.73 105.19 110.06 1n4i n GLY 2 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n4i s SER 3 N 0.00 3.95 -0.07 1.61 0.15 -1.26 -4.80 113.70 113.29 1n4i s SER 3 Ca 0.00 -3.55 0.21 0.00 0.70 0.00 0.00 55.95 53.30 1n4i s SER 3 Cb 0.00 -1.33 -0.29 0.00 -1.71 0.00 0.00 66.02 62.70 1n4i s SER 3 CO 0.00 -0.12 0.40 0.00 1.20 0.00 0.00 173.24 174.71 1n4i n THR 5 N -2.46 0.00 0.00 0.00 -1.04 -1.25 -4.22 114.28 105.31 1n4i n THR 5 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1n4i n THR 5 Cb 0.76 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 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 -0.13 0.00 0.00 8.00 6.94 -1.23 -2.33 115.26 126.51 1n4i n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1n4i n ASN 6 Cb 0.06 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 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 0.00 0.00 -1.51 5.53 -1.04 -1.26 -4.17 114.28 111.83 1n4i n THR 7 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1n4i n THR 7 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1n4i n THR 7 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n4i n ASN 8 N -0.94 -0.13 0.00 8.00 2.85 -0.99 -4.94 115.26 119.11 1n4i n ASN 8 Ca 0.00 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1n4i n ASN 8 Cb 0.00 0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.06 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1n4i n SER 9 N 0.00 0.00 -0.40 1.20 7.64 -0.98 -4.98 113.62 116.09 1n4i n SER 9 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1n4i n SER 9 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1n4i n GLN 10 N -0.45 0.00 -3.27 1.43 7.27 -0.89 -4.86 117.38 116.61 1n4i n GLN 10 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 1n4i n GLN 10 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1n4i n GLN 10 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1n4i s LEU 11 N 0.00 -0.40 0.26 1.69 1.98 0.05 -3.57 118.68 118.70 1n4i s LEU 11 Ca 0.00 0.46 -0.18 0.00 -2.89 0.00 0.00 54.13 51.53 1n4i s LEU 11 Cb 0.00 1.42 -0.12 0.00 0.66 0.00 0.00 46.19 48.15 1n4i s LEU 11 CO 0.00 -0.08 0.16 -1.54 -1.89 0.00 0.00 176.35 173.01 1n4i n SER 12 N 4.99 -1.81 0.18 3.68 3.41 0.66 -4.67 113.62 120.06 1n4i n SER 12 Ca -0.08 0.69 0.18 0.00 -0.26 0.00 0.00 58.87 59.40 1n4i n SER 12 Cb 0.54 -0.68 0.81 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.40 1.86 -0.21 7.33 0.00 -1.85 0.18 119.26 126.97 1n4i h ALA 13 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1n4i h ALA 13 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n4i h ALA 13 CO 0.38 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.47 1n4i n ASN 14 N -3.68 2.76 -3.10 0.00 6.94 -1.26 -4.85 115.26 112.07 1n4i n ASN 14 Ca 0.03 -1.81 -0.07 0.00 -0.02 0.00 0.00 54.58 52.71 1n4i n ASN 14 Cb 0.43 -0.13 0.07 0.00 -2.36 0.00 0.00 39.78 37.79 1n4i n ASN 14 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1n4i n SER 15 N 0.96 -2.22 -3.65 0.53 3.41 0.63 -4.75 113.62 108.53 1n4i n SER 15 Ca 0.13 -0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1n4i n SER 15 Cb 0.45 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1n4i n SER 15 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1n4i s LYS 16 N -2.96 0.26 -0.74 4.33 3.01 -1.14 -4.80 119.74 117.71 1n4i s LYS 16 Ca 0.16 0.93 0.04 0.00 -1.01 0.00 0.00 55.97 56.09 1n4i s LYS 16 Cb -0.03 0.19 0.25 0.00 -1.01 0.00 0.00 37.83 37.23 1n4i s LYS 16 CO 0.13 -0.27 0.83 0.00 0.51 0.00 0.00 175.35 176.56 1n4i s GLU 18 N -2.33 0.12 -1.44 0.00 -1.05 -1.26 -4.81 118.70 107.93 1n4i s GLU 18 Ca 0.36 0.01 -0.09 0.00 -0.15 0.00 0.00 54.97 55.10 1n4i s GLU 18 Cb 0.09 -0.20 0.05 0.00 -0.44 0.00 0.00 34.13 33.63 1n4i s GLU 18 CO -0.02 -0.03 0.69 1.63 0.95 0.00 0.00 175.26 178.48 1n4i n LYS 19 N 3.45 -4.68 -4.01 -4.83 5.02 -1.26 -4.48 118.16 107.36 1n4i n LYS 19 Ca -0.18 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1n4i n LYS 19 Cb 0.56 -5.49 -0.08 0.00 -0.02 0.00 0.00 35.03 29.99 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n4i s SER 20 N -2.89 0.22 -0.34 4.39 0.01 -1.26 -2.98 113.70 110.84 1n4i s SER 20 Ca 0.45 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1n4i s SER 20 Cb -0.22 0.33 0.07 0.00 0.21 0.00 0.00 66.02 66.41 1n4i s SER 20 CO 0.55 -0.75 0.08 0.42 0.41 0.00 0.00 173.24 173.95 1n4i s THR 21 N -3.95 3.15 0.32 1.44 -4.23 -0.55 -4.91 115.64 106.91 1n4i s THR 21 Ca 0.14 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1n4i s THR 21 Cb 0.06 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1n4i s THR 21 CO -0.04 -0.33 0.56 -0.76 -0.54 0.00 0.00 174.62 173.50 1n4i s LEU 22 N 1.22 4.02 -0.30 4.79 2.01 -1.26 -3.03 118.68 126.13 1n4i s LEU 22 Ca 0.00 0.62 -0.13 0.00 0.01 0.00 0.00 54.13 54.63 1n4i s LEU 22 Cb -0.21 -3.46 0.15 0.00 0.01 0.00 0.00 46.19 42.68 1n4i s LEU 22 CO -0.02 -0.25 0.86 -0.89 1.01 0.00 0.00 176.35 177.06 1n4i s THR 23 N -2.21 -0.60 -0.96 5.49 2.01 -0.97 -4.58 115.64 113.82 1n4i s THR 23 Ca 0.42 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 1n4i s THR 23 Cb -0.10 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1n4i s THR 23 CO 0.33 0.00 0.65 0.59 -0.69 0.00 0.00 174.62 175.51 1n4i n ASN 24 N 5.00 -4.94 -4.22 3.53 4.13 -1.26 -2.39 115.26 115.10 1n4i n ASN 24 Ca -0.11 -1.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.03 1n4i n ASN 24 Cb 0.52 -2.14 -0.10 0.00 -1.54 0.00 0.00 39.78 36.52 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n4i n TYR 26 N -0.23 0.00 -2.01 0.00 4.01 -1.25 -2.09 117.16 115.60 1n4i n TYR 26 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1n4i n TYR 26 Cb 0.64 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1n4i n VAL 27 N -2.54-10.10 0.12 -0.72 0.31 -1.26 -0.77 118.33 103.37 1n4i n VAL 27 Ca 0.00 2.92 0.03 0.00 -0.01 0.00 0.00 64.34 67.28 1n4i n VAL 27 Cb 0.25 -4.44 -0.04 0.00 -0.91 0.00 0.00 33.84 28.70 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 1.49 2.00 -2.67 4.52 8.00 -0.76 0.24 116.55 129.37 1n4i n ASP 28 Ca 0.00 -0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.14 1n4i n ASP 28 Cb 0.00 1.12 0.09 0.00 -0.02 0.00 0.00 41.12 42.31 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n4i n LYS 29 N -1.40 0.19 -2.11 -1.24 5.02 -1.26 -4.59 118.16 112.77 1n4i n LYS 29 Ca 0.00 -0.78 -0.01 0.00 -2.02 0.00 0.00 58.31 55.50 1n4i n LYS 29 Cb 0.11 -0.29 -0.00 0.00 -0.02 0.00 0.00 35.03 34.83 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 1.15 0.09 0.06 4.39 7.64 -1.26 0.13 113.62 125.81 1n4i n SER 30 Ca -0.01 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1n4i n SER 30 Cb 0.72 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1n4i n SER 30 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1n4i n GLU 31 N -0.03 0.00 -1.11 1.43 2.13 -1.25 -3.61 120.64 118.21 1n4i n GLU 31 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1n4i n GLU 31 Cb 0.03 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.54 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1n4i n VAL 32 N -3.16 -3.92 -2.71 6.31 0.31 -0.90 -2.87 118.33 111.39 1n4i n VAL 32 Ca 0.00 1.62 -0.06 0.00 -0.01 0.00 0.00 64.34 65.90 1n4i n VAL 32 Cb 0.00 -2.35 0.07 0.00 -0.91 0.00 0.00 33.84 30.65 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 -0.43 -0.14 0.00 3.52 4.01 -1.11 -4.74 117.16 118.26 1n4i n TYR 33 Ca 0.00 -2.30 0.00 0.00 -0.16 0.00 0.00 57.90 55.44 1n4i n TYR 33 Cb 0.00 0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.50 0.44 3.73 2.72 0.00 -1.16 -2.83 105.19 107.59 1n4i n GLY 34 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 2.15 -0.71 2.61 2.01 -0.84 -4.07 115.64 116.80 1n4i s THR 35 Ca 0.00 0.09 0.24 0.00 0.31 0.00 0.00 61.69 62.33 1n4i s THR 35 Cb 0.00 -2.91 0.05 0.00 0.01 0.00 0.00 72.50 69.65 1n4i s THR 35 CO 0.00 -0.03 1.35 0.41 -0.69 0.00 0.00 174.62 175.67 1n4i n THR 36 N -2.16 0.29 -3.51 -0.82 -1.04 -1.03 -1.48 114.28 104.54 1n4i n THR 36 Ca 0.15 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 61.77 1n4i n THR 36 Cb 0.49 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i s THR 38 N -2.89 4.32 -0.91 0.00 2.01 -1.25 -2.28 115.64 114.64 1n4i s THR 38 Ca 0.03 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1n4i s THR 38 Cb -0.00 -4.67 0.01 0.00 0.01 0.00 0.00 72.50 67.84 1n4i s THR 38 CO 0.84 -1.42 0.66 0.61 -0.69 0.00 0.00 174.62 174.62 1n4i n GLY 39 N 5.30 -1.19 3.63 4.40 0.00 -1.01 -0.67 105.19 115.65 1n4i n GLY 39 Ca -0.03 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1n4i n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n4i s SER 40 N -3.13 0.13 0.10 1.61 0.15 -0.97 -4.27 113.70 107.32 1n4i s SER 40 Ca 0.14 -1.05 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 1n4i s SER 40 Cb -0.06 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1n4i s SER 40 CO 0.88 -1.28 0.28 -0.13 1.20 0.00 0.00 173.24 174.19 1n4i s ARG 41 N -3.54 0.93 0.38 5.44 3.00 -1.26 -3.80 118.95 120.10 1n4i s ARG 41 Ca 0.22 -0.83 0.02 0.00 0.00 0.00 0.00 55.73 55.14 1n4i s ARG 41 Cb -0.02 0.39 -0.01 0.00 0.00 0.00 0.00 34.95 35.32 1n4i s ARG 41 CO 0.12 -0.33 0.06 1.19 0.00 0.00 0.00 175.30 176.34 1n4i n PHE 42 N -0.09 0.54 -2.66 -0.53 3.72 -1.26 -3.67 117.46 113.52 1n4i n PHE 42 Ca -0.16 -2.12 -0.04 0.00 -0.05 0.00 0.00 57.45 55.08 1n4i n PHE 42 Cb 0.63 -0.14 0.04 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.43 -1.30 0.00 4.37 -0.08 -1.26 -1.82 116.55 115.02 1n4i n ASP 43 Ca -0.11 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.27 1n4i n ASP 43 Cb 0.52 0.88 0.00 0.00 2.34 0.00 0.00 41.12 44.86 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 -0.59 0.44 0.00 0.27 0.00 0.34 -3.93 105.19 101.73 1n4i n GLY 44 Ca -0.16 -0.47 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 -2.70 1.61 0.24 0.07 -0.47 118.33 117.08 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 -2.10 3.34 -1.04 -1.11 -3.84 114.28 109.53 1n4i n THR 46 Ca 0.00 -1.20 -0.27 0.00 -2.04 0.00 0.00 64.05 60.54 1n4i n THR 46 Cb 0.00 1.13 0.08 0.00 -1.82 0.00 0.00 70.33 69.72 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 0.17 2.17 0.00 12.58 2.07 -1.25 -2.47 121.20 134.46 1n4i s ILE 47 Ca 0.19 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1n4i s ILE 47 Cb 0.29 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.88 1n4i s ILE 47 CO -0.09 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.29 1n4i n THR 48 N -3.08 0.00 -1.58 4.00 -2.24 -1.18 -2.12 114.28 108.07 1n4i n THR 48 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1n4i n THR 48 Cb 0.61 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 -0.89 -0.57 0.00 0.00 175.07 173.61 1n4i s THR 49 N 3.10 3.01 -0.03 4.28 2.01 -1.13 -1.99 115.64 124.89 1n4i s THR 49 Ca 0.00 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1n4i s THR 49 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1n4i s THR 49 CO 0.00 -0.02 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.16 1n4i s SER 50 N 9.35 3.53 -0.13 3.53 0.15 -1.26 -3.71 113.70 125.17 1n4i s SER 50 Ca 0.85 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.25 1n4i s SER 50 Cb -0.08 -0.59 0.46 0.00 -1.71 0.00 0.00 66.02 64.10 1n4i s SER 50 CO 0.15 0.33 1.21 0.41 1.20 0.00 0.00 173.24 176.54 1n4i n THR 51 N 2.36 1.50 -1.63 6.45 -1.04 -1.14 -2.47 114.28 118.30 1n4i n THR 51 Ca -0.17 -0.77 -0.58 0.00 -2.04 0.00 0.00 64.05 60.49 1n4i n THR 51 Cb 0.52 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.61 1n4i n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1n4i n SER 52 N 0.38 1.29 -4.24 8.00 3.41 0.65 -4.67 113.62 118.44 1n4i n SER 52 Ca 0.16 1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 59.47 1n4i n SER 52 Cb 0.76 -1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1n4i n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n4i s THR 53 N 1.58 4.61 -0.27 6.66 2.01 -1.11 -3.86 115.64 125.26 1n4i s THR 53 Ca 0.94 -1.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1n4i s THR 53 Cb -1.17 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 67.36 1n4i s THR 53 CO 0.61 -0.85 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 1n4i n GLY 54 N 4.65 -4.17 3.52 4.40 0.00 0.16 -3.56 105.19 110.19 1n4i n GLY 54 Ca -0.04 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.41 -0.84 -0.64 1.61 1.04 -0.61 -2.43 113.70 110.43 1n4i s SER 55 Ca -0.00 1.36 -0.27 0.00 0.48 0.00 0.00 55.95 57.52 1n4i s SER 55 Cb 0.00 1.75 0.01 0.00 0.10 0.00 0.00 66.02 67.88 1n4i s SER 55 CO 0.69 -0.22 1.52 -0.60 0.98 0.00 0.00 173.24 175.60 1n4i s ARG 56 N 2.44 3.03 -0.08 4.02 3.52 -1.26 -4.31 118.95 126.31 1n4i s ARG 56 Ca -0.06 0.26 0.09 0.00 -0.13 0.00 0.00 55.73 55.88 1n4i s ARG 56 Cb -0.10 -4.24 0.39 0.00 -1.56 0.00 0.00 34.95 29.44 1n4i s ARG 56 CO -0.17 -2.29 1.19 -0.89 -0.81 0.00 0.00 175.30 172.33 1n4i n ILE 57 N 6.80 1.07 -1.06 4.11 5.41 -1.24 -2.16 119.36 132.30 1n4i n ILE 57 Ca 0.12 -0.64 -0.36 0.00 1.00 0.00 0.00 62.75 62.87 1n4i n ILE 57 Cb 0.50 -0.15 0.06 0.00 -0.71 0.00 0.00 39.64 39.34 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1n4i n SER 58 N 0.43 -3.55 0.00 4.38 7.64 -1.26 -4.65 113.62 116.60 1n4i n SER 58 Ca 0.14 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1n4i n SER 58 Cb 0.58 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 2.42 2.64 2.57 0.23 0.00 -1.24 -4.55 105.19 107.26 1n4i n GLY 59 Ca 0.05 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.62 2.86 0.00 1.61 -0.04 -1.26 -3.29 135.00 134.26 1n4i n PRO 60 Ca 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1n4i n PRO 60 Cb 0.00 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.84 1.61 3.02 0.55 0.00 -1.05 -5.09 105.19 108.07 1n4i n GLY 61 Ca 0.61 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.99 0.54 0.13 0.00 2.20 -1.25 -2.76 119.74 116.61 1n4i s LYS 63 Ca 0.41 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.31 1n4i s LYS 63 Cb -0.20 0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1n4i s LYS 63 CO 0.82 -0.33 -0.04 0.42 -0.36 0.00 0.00 175.35 175.85 1n4i s ILE 64 N 2.85 0.73 -0.18 5.43 1.09 -1.03 -4.64 121.20 125.44 1n4i s ILE 64 Ca 0.02 -1.96 -0.07 0.00 -1.10 0.00 0.00 60.65 57.54 1n4i s ILE 64 Cb -0.13 -1.85 0.08 0.00 -1.06 0.00 0.00 42.46 39.50 1n4i s ILE 64 CO -0.19 -0.72 0.38 -0.94 -0.10 0.00 0.00 174.94 173.37 1n4i s SER 65 N -3.10 -0.14 -0.81 3.58 1.04 -1.26 -3.13 113.70 109.88 1n4i s SER 65 Ca 0.17 0.88 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 1n4i s SER 65 Cb 0.05 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1n4i s SER 65 CO -0.01 -0.23 0.63 0.41 0.98 0.00 0.00 173.24 175.02 1n4i n THR 66 N 5.23 -5.45 -3.96 2.02 -1.04 -1.24 -3.69 114.28 106.14 1n4i n THR 66 Ca -0.10 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.51 1n4i n THR 66 Cb 0.50 -4.17 -0.15 0.00 -1.82 0.00 0.00 70.33 64.69 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i h ILE 68 N 6.63 0.00 -2.92 0.00 5.03 -1.89 -3.01 117.51 121.35 1n4i h ILE 68 Ca -0.12 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 64.90 1n4i h ILE 68 Cb 1.04 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.69 1n4i h ILE 68 CO 0.47 0.00 -0.86 -0.38 -0.68 0.00 0.00 178.15 176.70 1n4i n ILE 69 N -4.25 -0.41 0.00 -0.67 5.41 -1.26 0.24 119.36 118.42 1n4i n ILE 69 Ca -0.04 0.58 0.00 0.00 1.00 0.00 0.00 62.75 64.29 1n4i n ILE 69 Cb 0.22 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1n4i n ILE 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1n4i n THR 70 N -3.93 0.00 -2.44 1.39 -1.04 0.16 -3.40 114.28 105.02 1n4i n THR 70 Ca -0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1n4i n THR 70 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1n4i n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n4i n GLY 71 N 0.00 3.56 2.76 3.41 0.00 -1.23 -2.75 105.19 110.94 1n4i n GLY 71 Ca 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 4.34 0.47 3.38 -0.02 0.00 -1.02 -4.33 105.19 108.01 1n4i n GLY 72 Ca 0.45 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.51 2.68 0.21 1.61 -7.23 -1.26 -4.21 120.40 110.69 1n4i s VAL 73 Ca 0.00 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1n4i s VAL 73 Cb 0.00 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 1n4i s VAL 73 CO 0.00 0.57 1.00 -2.16 -0.31 0.00 0.00 175.10 174.20 1n4i s PRO 74 N -0.31 4.74 0.52 4.82 0.04 -1.26 0.39 135.00 143.94 1n4i s PRO 74 Ca 0.02 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 1n4i s PRO 74 Cb -0.13 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1n4i s PRO 74 CO 0.03 0.32 0.87 0.00 0.04 0.00 0.00 177.00 178.26 1n4i s ALA 75 N -0.79 3.29 -0.51 8.56 0.00 -1.26 -4.78 121.76 126.27 1n4i s ALA 75 Ca 0.44 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 1n4i s ALA 75 Cb -0.27 -2.78 -0.21 0.00 0.00 0.00 0.00 23.12 19.86 1n4i s ALA 75 CO 0.34 -0.42 3.34 -0.35 0.00 0.00 0.00 175.76 178.66 1n4i n PRO 76 N -2.30 2.47 -3.00 0.00 -0.04 -1.26 -4.78 135.00 126.10 1n4i n PRO 76 Ca 0.03 -1.35 -0.27 0.00 -0.04 0.00 0.00 63.50 61.87 1n4i n PRO 76 Cb 0.55 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.10 6.34 0.14 3.54 0.15 -1.26 -4.98 113.70 119.73 1n4i s SER 77 Ca 0.66 0.79 0.25 0.00 0.70 0.00 0.00 55.95 58.35 1n4i s SER 77 Cb 0.27 -2.18 0.63 0.00 -1.71 0.00 0.00 66.02 63.02 1n4i s SER 77 CO -0.02 -0.40 1.57 0.00 1.20 0.00 0.00 173.24 175.59 1n4i n ALA 78 N -1.73 2.64 -0.02 5.45 0.00 -1.26 -3.83 120.51 121.75 1n4i n ALA 78 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1n4i n ALA 78 Cb 0.55 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.76 2.32 -1.87 0.00 0.00 -1.26 -4.95 120.51 112.98 1n4i n ALA 79 Ca 0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1n4i n ALA 79 Cb 0.42 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 6.27 0.67 -1.58 0.00 -0.00 -1.24 -4.85 118.16 117.43 1n4i n LYS 81 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1n4i n LYS 81 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.43 1n4i n LYS 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1n4i n ILE 82 N -1.34 0.00 0.00 0.58 0.13 -1.26 -4.90 119.36 112.57 1n4i n ILE 82 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 1n4i n ILE 82 Cb 0.00 0.50 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1n4i n SER 83 N -0.04 0.00 -3.82 9.51 7.64 -1.26 -4.58 113.62 121.07 1n4i n SER 83 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1n4i n SER 83 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4i n GLY 84 N 2.34 5.36 2.02 0.23 0.00 -1.26 -4.94 105.19 108.94 1n4i n GLY 84 Ca 0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.51 0.00 0.23 0.00 -1.32 -1.26 -5.03 115.64 105.74 1n4i s THR 86 Ca 0.09 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.68 1n4i s THR 86 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 1n4i s THR 86 CO 0.06 0.00 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.92 1n4i s PHE 87 N -2.16 2.36 -0.00 9.09 0.08 -1.25 -3.99 117.98 122.11 1n4i s PHE 87 Ca 0.10 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1n4i s PHE 87 Cb -0.01 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 1n4i s PHE 87 CO -0.04 0.59 1.01 0.43 -0.10 0.00 0.00 175.22 177.11 1n4i n SER 88 N -0.15 0.10 -2.91 1.36 7.64 -0.92 -4.79 113.62 113.95 1n4i n SER 88 Ca -0.09 -2.03 -0.09 0.00 1.01 0.00 0.00 58.87 57.66 1n4i n SER 88 Cb 0.58 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.03 -3.01 -0.51 -0.43 0.00 -1.26 -4.44 120.51 110.84 1n4i n ALA 89 Ca 0.01 0.84 0.00 0.00 0.00 0.00 0.00 53.44 54.29 1n4i n ALA 89 Cb 0.71 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1n4i n ALA 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79