#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 0.15 0.00 6.12 0.00 -1.26 -4.85 107.32 107.49 1n4i s GLY 2 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1n4i s GLY 2 CO 0.00 3.52 0.00 1.44 0.00 0.00 0.00 173.10 178.06 1n4i n SER 3 N 14.15 0.00 -0.71 1.64 7.64 -1.26 -4.97 113.62 130.11 1n4i n SER 3 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1n4i n SER 3 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i s THR 5 N -3.65 0.00 -0.39 0.00 2.01 -1.26 -4.86 115.64 107.49 1n4i s THR 5 Ca 0.00 -0.36 0.10 0.00 0.31 0.00 0.00 61.69 61.74 1n4i s THR 5 Cb 0.00 -1.99 0.30 0.00 0.01 0.00 0.00 72.50 70.82 1n4i s THR 5 CO 0.00 0.00 0.70 -0.46 -0.69 0.00 0.00 174.62 174.17 1n4i n ASN 6 N -0.48 0.06 -0.89 3.53 6.94 -1.26 -4.38 115.26 118.78 1n4i n ASN 6 Ca -0.08 -2.97 -0.12 0.00 -0.02 0.00 0.00 54.58 51.39 1n4i n ASN 6 Cb 0.62 -0.24 -0.05 0.00 -2.36 0.00 0.00 39.78 37.75 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 0.79 0.00 0.00 5.53 -1.04 -1.26 0.69 114.28 118.99 1n4i n THR 7 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1n4i n THR 7 Cb 0.61 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 -0.18 0.00 -1.58 8.00 5.15 -1.26 -4.78 115.26 120.62 1n4i n ASN 8 Ca -0.12 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1n4i n ASN 8 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1n4i n ASN 8 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1n4i n SER 9 N 0.00 -2.36 -0.19 1.20 2.88 -1.26 -5.02 113.62 108.87 1n4i n SER 9 Ca 0.00 0.06 0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1n4i n SER 9 Cb 0.00 -1.26 0.07 0.00 -0.75 0.00 0.00 64.21 62.26 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1n4i n GLN 10 N -0.20 0.99 -1.52 -1.46 7.27 -1.26 -4.92 117.38 116.27 1n4i n GLN 10 Ca 0.00 -1.77 -0.21 0.00 0.07 0.00 0.00 57.00 55.09 1n4i n GLN 10 Cb 0.01 -1.04 -0.16 0.00 2.41 0.00 0.00 30.24 31.47 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 -0.75 -0.04 -4.04 1.69 7.94 -0.67 -4.49 117.00 116.64 1n4i n LEU 11 Ca 0.08 -0.81 -0.47 0.00 -1.11 0.00 0.00 56.01 53.70 1n4i n LEU 11 Cb 0.60 -1.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 1n4i n LEU 11 CO 0.00 -1.80 0.15 -0.24 -1.11 0.00 0.00 177.39 174.40 1n4i n SER 12 N 10.91 -0.80 0.25 1.96 2.88 -0.39 -4.64 113.62 123.78 1n4i n SER 12 Ca 0.59 1.04 0.09 0.00 -1.33 0.00 0.00 58.87 59.26 1n4i n SER 12 Cb 0.25 -0.86 0.47 0.00 -0.75 0.00 0.00 64.21 63.32 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 1.46 1.37 -0.01 -1.46 0.00 -1.90 0.95 119.26 119.67 1n4i h ALA 13 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n4i h ALA 13 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n4i h ALA 13 CO 0.54 -0.37 -0.18 -1.71 0.00 0.00 0.00 179.25 177.53 1n4i n ASN 14 N -2.41 1.25 -1.65 0.00 5.15 -1.26 -4.89 115.26 111.45 1n4i n ASN 14 Ca -0.01 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 1n4i n ASN 14 Cb 0.46 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1n4i n ASN 14 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1n4i n SER 15 N -0.33 0.00 -3.51 1.20 7.64 0.33 -3.94 113.62 115.00 1n4i n SER 15 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.92 1n4i n SER 15 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1n4i n SER 15 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1n4i s LYS 16 N 1.47 0.86 0.05 1.43 2.20 -0.46 -4.82 119.74 120.46 1n4i s LYS 16 Ca 0.00 -0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 1n4i s LYS 16 Cb 0.00 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1n4i s LYS 16 CO 0.00 -0.34 0.11 0.00 -0.36 0.00 0.00 175.35 174.76 1n4i n GLU 18 N 0.53 0.00 -1.09 0.00 1.02 -1.26 -4.94 120.64 114.90 1n4i n GLU 18 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.93 1n4i n GLU 18 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.00 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 -0.51 -3.54 3.49 4.81 -1.26 -4.02 118.16 117.13 1n4i n LYS 19 Ca 0.00 0.43 -0.20 0.00 -0.87 0.00 0.00 58.31 57.67 1n4i n LYS 19 Cb 0.00 -4.03 -0.01 0.00 0.02 0.00 0.00 35.03 31.00 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1n4i s SER 20 N -2.46 5.66 -0.08 3.14 0.01 -1.26 -3.77 113.70 114.93 1n4i s SER 20 Ca 0.00 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 1n4i s SER 20 Cb 0.00 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 1n4i s SER 20 CO 0.00 -0.45 -0.09 0.41 0.41 0.00 0.00 173.24 173.52 1n4i n THR 21 N -1.57 0.46 -1.33 1.44 -1.04 -1.01 -4.90 114.28 106.33 1n4i n THR 21 Ca 0.00 -0.16 0.14 0.00 -2.04 0.00 0.00 64.05 62.00 1n4i n THR 21 Cb 0.59 -1.09 -0.08 0.00 -1.82 0.00 0.00 70.33 67.93 1n4i n THR 21 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1n4i n LEU 22 N -2.97 -1.02 -3.25 -4.42 7.94 -0.82 -4.53 117.00 107.93 1n4i n LEU 22 Ca -0.15 2.27 0.03 0.00 -1.11 0.00 0.00 56.01 57.06 1n4i n LEU 22 Cb 0.64 -2.79 -0.03 0.00 0.53 0.00 0.00 43.42 41.77 1n4i n LEU 22 CO 0.05 -1.84 0.74 -0.89 -1.11 0.00 0.00 177.39 174.34 1n4i s THR 23 N -4.32 -0.27 -1.00 1.96 2.01 0.50 -4.68 115.64 109.84 1n4i s THR 23 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 1n4i s THR 23 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1n4i s THR 23 CO 0.00 0.00 0.79 0.59 -0.69 0.00 0.00 174.62 175.31 1n4i n ASN 24 N 4.93 -6.16 -0.67 3.53 4.13 0.22 -1.92 115.26 119.32 1n4i n ASN 24 Ca -0.08 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.45 1n4i n ASN 24 Cb 0.54 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.70 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 0.00 -0.10 -1.68 0.00 4.01 -1.26 -4.33 117.16 113.80 1n4i n TYR 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1n4i n TYR 26 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.55 -4.77 -3.70 -0.72 0.31 -1.26 -1.67 118.33 104.96 1n4i n VAL 27 Ca 0.00 2.20 -0.11 0.00 -0.01 0.00 0.00 64.34 66.42 1n4i n VAL 27 Cb 0.00 -2.97 -0.11 0.00 -0.91 0.00 0.00 33.84 29.85 1n4i n VAL 27 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n4i s ASP 28 N -3.06 -0.52 -1.46 4.52 -1.08 -1.05 -1.27 116.67 112.76 1n4i s ASP 28 Ca 0.00 0.89 -0.10 0.00 -0.52 0.00 0.00 52.55 52.82 1n4i s ASP 28 Cb 0.00 0.78 0.06 0.00 -1.46 0.00 0.00 42.92 42.30 1n4i s ASP 28 CO 0.00 -0.19 0.77 0.29 0.52 0.00 0.00 175.17 176.56 1n4i n LYS 29 N 4.16 -4.96 -4.48 4.34 5.02 -1.25 0.08 118.16 121.07 1n4i n LYS 29 Ca -0.23 0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 56.50 1n4i n LYS 29 Cb 0.55 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.95 1n4i n LYS 29 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n4i s SER 30 N -2.98 2.65 0.00 4.39 0.01 -1.26 -1.29 113.70 115.22 1n4i s SER 30 Ca 0.50 -1.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 1n4i s SER 30 Cb -0.24 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 1n4i s SER 30 CO 0.61 -0.56 -0.09 1.21 0.41 0.00 0.00 173.24 174.82 1n4i n GLU 31 N -0.73 0.13 -1.47 12.44 2.13 -1.19 -1.36 120.64 130.59 1n4i n GLU 31 Ca -0.03 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1n4i n GLU 31 Cb 0.66 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.75 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 -3.43 -3.95 -2.42 6.31 0.31 -0.35 -3.87 118.33 110.93 1n4i n VAL 32 Ca -0.03 1.84 -0.02 0.00 -0.01 0.00 0.00 64.34 66.11 1n4i n VAL 32 Cb 0.13 -2.71 0.02 0.00 -0.91 0.00 0.00 33.84 30.37 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 -1.65 -0.34 0.00 3.52 4.01 -1.05 -4.37 117.16 117.27 1n4i n TYR 33 Ca 0.00 -1.08 0.00 0.00 -0.16 0.00 0.00 57.90 56.66 1n4i n TYR 33 Cb 0.21 0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.40 0.94 3.23 2.72 0.00 -1.25 -3.21 105.19 107.22 1n4i n GLY 34 Ca -0.12 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.08 0.36 2.61 -1.04 -1.01 -3.79 114.28 111.48 1n4i n THR 35 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.62 1n4i n THR 35 Cb 0.00 -0.02 -0.09 0.00 -1.82 0.00 0.00 70.33 68.39 1n4i n THR 35 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1n4i n THR 36 N -1.61 0.10 -3.03 12.58 -1.04 -1.15 -2.40 114.28 117.73 1n4i n THR 36 Ca 0.07 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 1n4i n THR 36 Cb 0.48 0.22 0.01 0.00 -1.82 0.00 0.00 70.33 69.23 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 -1.88 4.79 -1.09 0.00 2.01 -1.24 -1.10 115.64 117.14 1n4i s THR 38 Ca 0.19 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1n4i s THR 38 Cb -0.04 -4.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.05 1n4i s THR 38 CO 0.69 -1.01 0.77 0.61 -0.69 0.00 0.00 174.62 174.99 1n4i n GLY 39 N 5.23 -1.03 0.00 4.40 0.00 -0.81 -2.76 105.19 110.23 1n4i n GLY 39 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.57 0.00 -3.54 1.61 2.88 -1.06 -4.55 113.62 106.39 1n4i n SER 40 Ca -0.11 -0.89 -0.09 0.00 -1.33 0.00 0.00 58.87 56.46 1n4i n SER 40 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1n4i n SER 40 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1n4i s ARG 41 N -1.67 0.68 0.53 -1.46 3.52 -1.26 -4.05 118.95 115.23 1n4i s ARG 41 Ca 0.00 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1n4i s ARG 41 Cb 0.00 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.71 1n4i s ARG 41 CO 0.00 -0.27 0.08 -0.06 -0.81 0.00 0.00 175.30 174.25 1n4i s PHE 42 N -2.31 1.74 -0.22 5.12 0.08 -1.26 -3.91 117.98 117.22 1n4i s PHE 42 Ca 0.03 -0.96 0.07 0.00 0.12 0.00 0.00 56.93 56.19 1n4i s PHE 42 Cb -0.01 -1.66 0.24 0.00 -0.57 0.00 0.00 43.02 41.03 1n4i s PHE 42 CO -0.05 0.06 1.13 -3.47 -0.10 0.00 0.00 175.22 172.79 1n4i n ASP 43 N -1.40 -0.95 0.00 1.36 -0.08 -0.85 -2.52 116.55 112.12 1n4i n ASP 43 Ca -0.17 -1.76 0.00 0.00 -1.51 0.00 0.00 54.79 51.35 1n4i n ASP 43 Cb 0.66 0.48 0.00 0.00 2.34 0.00 0.00 41.12 44.60 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 -0.88 0.35 0.00 0.27 0.00 0.11 -3.90 105.19 101.14 1n4i n GLY 44 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.71 1.61 0.24 -0.41 -0.73 118.33 116.32 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 -2.24 3.34 -1.04 0.21 -3.18 114.28 111.37 1n4i n THR 46 Ca 0.00 -1.33 -0.26 0.00 -2.04 0.00 0.00 64.05 60.42 1n4i n THR 46 Cb 0.00 1.31 0.09 0.00 -1.82 0.00 0.00 70.33 69.91 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 0.21 2.23 0.00 12.58 2.07 -1.25 -2.52 121.20 134.52 1n4i s ILE 47 Ca 0.21 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1n4i s ILE 47 Cb 0.30 -2.93 0.00 0.00 0.13 0.00 0.00 42.46 39.96 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 -3.01 0.00 -1.48 4.00 -2.24 -1.12 -1.21 114.28 109.23 1n4i n THR 48 Ca 0.10 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1n4i n THR 48 Cb 0.60 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 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 -4.91 4.28 -1.04 -1.20 -2.42 114.28 108.99 1n4i n THR 49 Ca 0.00 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.05 61.29 1n4i n THR 49 Cb 0.00 -0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 67.51 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 4.47 2.26 -0.07 8.00 0.15 -1.26 -3.74 113.70 123.51 1n4i s SER 50 Ca 1.01 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1n4i s SER 50 Cb -0.45 -0.25 0.28 0.00 -1.71 0.00 0.00 66.02 63.89 1n4i s SER 50 CO 0.31 0.23 0.98 0.41 1.20 0.00 0.00 173.24 176.37 1n4i n THR 51 N 2.56 0.86 -1.40 6.45 -1.04 -1.15 -2.92 114.28 117.64 1n4i n THR 51 Ca -0.15 -0.46 -0.61 0.00 -2.04 0.00 0.00 64.05 60.79 1n4i n THR 51 Cb 0.53 -0.33 -0.11 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 0.22 0.91 -4.11 8.00 3.41 0.21 -4.70 113.62 117.56 1n4i n SER 52 Ca 0.09 0.86 -0.37 0.00 -0.26 0.00 0.00 58.87 59.20 1n4i n SER 52 Cb 0.52 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 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 4.45 3.68 0.00 6.66 2.01 -1.02 -3.60 115.64 127.82 1n4i s THR 53 Ca 1.08 -2.66 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1n4i s THR 53 Cb -1.43 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 67.65 1n4i s THR 53 CO 0.70 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1n4i n GLY 54 N 3.85 -0.39 3.47 4.40 0.00 -1.11 0.11 105.19 115.51 1n4i n GLY 54 Ca 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.14 -0.73 -0.60 1.61 1.04 -1.26 0.48 113.70 113.09 1n4i s SER 55 Ca 0.00 1.28 -0.23 0.00 0.48 0.00 0.00 55.95 57.48 1n4i s SER 55 Cb 0.00 1.63 0.05 0.00 0.10 0.00 0.00 66.02 67.80 1n4i s SER 55 CO 0.00 -0.22 0.95 -0.60 0.98 0.00 0.00 173.24 174.35 1n4i s ARG 56 N 2.39 3.22 -0.05 4.02 3.00 0.76 -4.38 118.95 127.91 1n4i s ARG 56 Ca -0.06 -0.53 0.08 0.00 -1.00 0.00 0.00 55.73 54.23 1n4i s ARG 56 Cb -0.10 -4.13 0.33 0.00 0.00 0.00 0.00 34.95 31.05 1n4i s ARG 56 CO -0.16 -1.64 1.16 -0.89 0.00 0.00 0.00 175.30 173.77 1n4i n ILE 57 N 6.06 0.83 -1.43 4.11 -0.00 -1.22 -3.06 119.36 124.64 1n4i n ILE 57 Ca -0.01 -0.54 -0.46 0.00 -0.00 0.00 0.00 62.75 61.74 1n4i n ILE 57 Cb 0.47 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.64 40.02 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 0.39 -0.93 0.00 4.38 7.64 -1.26 -4.62 113.62 119.22 1n4i n SER 58 Ca 0.12 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1n4i n SER 58 Cb 0.47 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.87 1.69 0.00 0.23 0.00 -1.25 -4.78 105.19 102.95 1n4i n GLY 59 Ca 0.15 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 0.39 0.00 1.61 -0.04 -1.25 -3.35 135.00 132.00 1n4i n PRO 60 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 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 0.06 0.00 3.62 0.55 0.00 -0.60 -4.93 105.19 103.89 1n4i n GLY 61 Ca 0.10 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.61 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 1.07 3.33 0.03 0.00 2.20 -1.24 0.65 119.74 125.77 1n4i s LYS 63 Ca 0.86 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1n4i s LYS 63 Cb -0.91 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1n4i s LYS 63 CO 0.48 0.12 -0.04 0.42 -0.36 0.00 0.00 175.35 175.97 1n4i s ILE 64 N 0.58 0.22 -0.25 5.43 1.01 -1.05 -4.62 121.20 122.53 1n4i s ILE 64 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1n4i s ILE 64 Cb -0.16 -0.34 0.12 0.00 0.01 0.00 0.00 42.46 42.09 1n4i s ILE 64 CO 0.03 -0.46 0.28 -0.94 0.00 0.00 0.00 174.94 173.85 1n4i s SER 65 N -1.47 1.30 -0.68 3.58 1.04 -1.26 -2.78 113.70 113.43 1n4i s SER 65 Ca -0.14 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 1n4i s SER 65 Cb -0.10 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1n4i s SER 65 CO -0.01 -0.35 0.65 0.41 0.98 0.00 0.00 173.24 174.92 1n4i n THR 66 N 5.32 -7.28 -3.91 2.02 -1.04 -1.25 -3.35 114.28 104.80 1n4i n THR 66 Ca -0.04 0.07 -0.27 0.00 -2.04 0.00 0.00 64.05 61.77 1n4i n THR 66 Cb 0.48 -5.25 -0.17 0.00 -1.82 0.00 0.00 70.33 63.58 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i n ILE 68 N 4.93 0.00 -1.50 0.00 -0.00 -1.26 -2.91 119.36 118.61 1n4i n ILE 68 Ca -0.13 1.24 0.00 0.00 -0.00 0.00 0.00 62.75 63.86 1n4i n ILE 68 Cb 0.50 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.19 1n4i n ILE 68 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1n4i n ILE 69 N -1.66 -5.01 -3.15 1.39 5.41 -1.26 0.66 119.36 115.75 1n4i n ILE 69 Ca 0.00 2.24 0.05 0.00 1.00 0.00 0.00 62.75 66.04 1n4i n ILE 69 Cb 0.00 -3.10 -0.00 0.00 -0.71 0.00 0.00 39.64 35.82 1n4i n ILE 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1n4i s THR 70 N -3.41 -0.71 0.00 1.39 2.01 -0.30 -2.44 115.64 112.18 1n4i s THR 70 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1n4i s THR 70 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.75 1n4i s THR 70 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1n4i n GLY 71 N 5.33 1.02 1.56 4.40 0.00 0.30 -3.86 105.19 113.93 1n4i n GLY 71 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.85 0.66 3.32 -0.02 0.00 0.18 -4.27 105.19 103.20 1n4i n GLY 72 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.16 3.29 -0.10 1.61 -7.23 -1.25 -4.13 120.40 110.43 1n4i s VAL 73 Ca 0.00 -0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1n4i s VAL 73 Cb 0.00 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1n4i s VAL 73 CO 0.00 0.45 1.13 -2.16 -0.31 0.00 0.00 175.10 174.21 1n4i s PRO 74 N 1.25 4.35 0.12 4.82 0.04 -1.26 -1.15 135.00 143.17 1n4i s PRO 74 Ca 0.03 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 1n4i s PRO 74 Cb -0.14 -3.59 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 1n4i s PRO 74 CO -0.02 -0.46 0.69 0.00 0.04 0.00 0.00 177.00 177.25 1n4i s ALA 75 N 2.42 3.50 -0.88 8.56 0.00 -1.26 -4.86 121.76 129.23 1n4i s ALA 75 Ca 0.52 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1n4i s ALA 75 Cb -0.21 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1n4i s ALA 75 CO 0.18 0.31 1.78 -1.25 0.00 0.00 0.00 175.76 176.78 1n4i s PRO 76 N -1.00 2.84 0.09 0.00 0.04 -1.26 -4.62 135.00 131.08 1n4i s PRO 76 Ca 0.33 -0.35 0.10 0.00 0.04 0.00 0.00 61.00 61.12 1n4i s PRO 76 Cb -0.21 -4.99 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 1n4i s PRO 76 CO 0.23 -2.95 -0.26 0.45 0.04 0.00 0.00 177.00 174.51 1n4i s SER 77 N 7.10 3.18 0.13 6.66 0.15 -1.26 -5.00 113.70 124.67 1n4i s SER 77 Ca 0.62 -0.67 0.13 0.00 0.70 0.00 0.00 55.95 56.73 1n4i s SER 77 Cb -0.06 -0.24 0.62 0.00 -1.71 0.00 0.00 66.02 64.62 1n4i s SER 77 CO 0.01 0.21 1.40 0.00 1.20 0.00 0.00 173.24 176.06 1n4i n ALA 78 N 1.33 1.26 0.14 5.45 0.00 -1.26 -1.78 120.51 125.66 1n4i n ALA 78 Ca -0.18 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1n4i n ALA 78 Cb 0.53 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.62 2.95 -1.47 0.00 0.00 -1.26 -4.98 120.51 114.13 1n4i n ALA 79 Ca 0.01 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 1n4i n ALA 79 Cb 0.08 -0.61 0.06 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.91 0.55 -3.10 0.00 0.00 -1.21 -4.87 118.16 106.61 1n4i n LYS 81 Ca 0.09 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.31 58.27 1n4i n LYS 81 Cb 0.53 -1.43 -0.03 0.00 -0.00 0.00 0.00 35.03 34.09 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 -1.59 -0.33 -2.18 0.58 2.08 -1.26 -4.85 119.36 111.81 1n4i n ILE 82 Ca 0.02 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1n4i n ILE 82 Cb 0.34 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 -0.71 0.63 -4.55 4.38 7.64 -1.26 -4.98 113.62 114.77 1n4i n SER 83 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 1n4i n SER 83 Cb 0.22 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.45 -0.42 0.00 0.23 0.00 -1.26 -4.79 107.32 100.62 1n4i s GLY 84 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1n4i s GLY 84 CO 0.00 4.08 0.00 0.00 0.00 0.00 0.00 173.10 177.18 1n4i s THR 86 N -2.46 0.00 -0.01 0.00 -1.32 -1.26 -5.09 115.64 105.50 1n4i s THR 86 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1n4i s THR 86 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1n4i s THR 86 CO 0.00 0.00 -0.02 0.49 -2.21 0.00 0.00 174.62 172.88 1n4i n PHE 87 N 0.05 0.00 -1.11 9.09 3.72 -1.17 -3.46 117.46 124.58 1n4i n PHE 87 Ca 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 1n4i n PHE 87 Cb 0.58 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 -3.04 -5.63 -2.07 4.37 7.64 -1.26 0.27 113.62 113.90 1n4i n SER 88 Ca -0.03 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1n4i n SER 88 Cb 0.52 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 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 1.07 -1.86 -1.63 -0.43 0.00 -1.26 -4.67 120.51 111.74 1n4i n ALA 89 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n4i n ALA 89 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1n4i n ALA 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79