#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 1.29 2.41 6.12 0.00 -1.26 -4.98 105.19 108.77 1n4i n GLY 2 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.23 -3.52 -4.72 1.61 7.64 -1.26 -4.89 113.62 108.26 1n4i n SER 3 Ca 0.03 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 1n4i n SER 3 Cb 0.71 -3.03 -0.03 0.00 -1.01 0.00 0.00 64.21 60.84 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 3.44 0.00 -3.94 0.00 -1.04 -1.26 -4.58 114.28 106.90 1n4i n THR 5 Ca 0.05 -0.20 -0.25 0.00 -2.04 0.00 0.00 64.05 61.61 1n4i n THR 5 Cb 0.49 0.64 -0.07 0.00 -1.82 0.00 0.00 70.33 69.57 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 -1.41 0.44 0.00 8.00 0.23 -1.26 0.38 115.26 121.63 1n4i n ASN 6 Ca -0.00 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 1n4i n ASN 6 Cb 0.07 -1.25 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 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 -3.86 0.00 0.00 5.53 -1.04 -1.26 0.21 114.28 113.86 1n4i n THR 7 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1n4i n THR 7 Cb 0.54 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.15 0.00 -0.55 8.00 4.05 0.83 -4.81 115.26 122.63 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1n4i n ASN 8 Cb 0.08 0.20 0.00 0.00 1.23 0.00 0.00 39.78 41.28 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1n4i n SER 9 N -2.08 -0.73 -0.14 1.20 3.41 1.20 -4.89 113.62 111.60 1n4i n SER 9 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1n4i n SER 9 Cb 0.00 -0.36 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1n4i n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n GLN 10 N -0.07 1.03 -1.62 4.33 0.00 -1.26 -5.02 117.38 114.77 1n4i n GLN 10 Ca 0.00 -1.32 -0.65 0.00 0.00 0.00 0.00 57.00 55.02 1n4i n GLN 10 Cb 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 30.24 29.30 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1n4i n LEU 11 N -0.44 1.16 -3.58 2.61 7.94 -1.26 -4.49 117.00 118.94 1n4i n LEU 11 Ca 0.03 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.66 1n4i n LEU 11 Cb 0.52 -0.90 0.03 0.00 0.53 0.00 0.00 43.42 43.60 1n4i n LEU 11 CO 0.00 -0.80 -1.08 -1.54 -1.11 0.00 0.00 177.39 172.86 1n4i n SER 12 N 4.97 -5.01 0.00 1.96 3.41 0.13 -4.69 113.62 114.39 1n4i n SER 12 Ca 0.37 0.23 0.04 0.00 -0.26 0.00 0.00 58.87 59.25 1n4i n SER 12 Cb -0.04 -0.69 0.21 0.00 -0.26 0.00 0.00 64.21 63.43 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n ALA 13 N -2.07 1.53 -2.13 7.33 0.00 -1.26 -2.60 120.51 121.31 1n4i n ALA 13 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1n4i n ALA 13 Cb 0.48 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.81 1n4i n ALA 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n4i n ASN 14 N -1.35 0.50 -2.30 0.00 0.23 -1.26 -5.09 115.26 105.99 1n4i n ASN 14 Ca 0.04 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1n4i n ASN 14 Cb 0.08 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1n4i n SER 15 N 0.08 0.00 -3.60 0.53 2.88 -1.07 -4.65 113.62 107.79 1n4i n SER 15 Ca 0.03 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 1n4i n SER 15 Cb 0.86 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.25 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 0.71 0.97 -0.41 -1.46 2.20 -1.11 -4.92 119.74 115.72 1n4i s LYS 16 Ca 0.00 -0.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 1n4i s LYS 16 Cb 0.00 0.44 0.31 0.00 -1.51 0.00 0.00 37.83 37.08 1n4i s LYS 16 CO 0.00 -0.32 1.22 0.00 -0.36 0.00 0.00 175.35 175.89 1n4i s GLU 18 N 0.19 3.51 -0.68 0.00 2.56 -1.26 -4.21 118.70 118.80 1n4i s GLU 18 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.97 55.14 1n4i s GLU 18 Cb 0.30 -3.89 -0.03 0.00 2.00 0.00 0.00 34.13 32.51 1n4i s GLU 18 CO -0.08 -1.01 0.59 1.17 -0.56 0.00 0.00 175.26 175.37 1n4i n LYS 19 N 6.55 -2.39 -4.23 4.30 4.81 -1.26 -4.82 118.16 121.12 1n4i n LYS 19 Ca 0.02 0.53 -0.13 0.00 -0.87 0.00 0.00 58.31 57.86 1n4i n LYS 19 Cb 0.48 -4.33 -0.10 0.00 0.02 0.00 0.00 35.03 31.10 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 -3.46 0.82 -0.39 3.14 0.01 -0.92 -4.13 113.70 108.77 1n4i s SER 20 Ca 0.18 -1.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.16 1n4i s SER 20 Cb -0.02 0.21 0.10 0.00 0.21 0.00 0.00 66.02 66.51 1n4i s SER 20 CO 0.46 -0.68 0.16 -0.89 0.41 0.00 0.00 173.24 172.70 1n4i s THR 21 N -3.85 3.21 0.05 1.44 2.01 -0.69 -4.96 115.64 112.85 1n4i s THR 21 Ca 0.29 -1.93 0.03 0.00 0.31 0.00 0.00 61.69 60.39 1n4i s THR 21 Cb 0.07 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1n4i s THR 21 CO 0.06 -0.58 0.03 -0.76 -0.69 0.00 0.00 174.62 172.69 1n4i s LEU 22 N 1.16 3.61 -0.22 4.42 2.01 -1.26 -2.93 118.68 125.47 1n4i s LEU 22 Ca 0.06 -0.04 -0.03 0.00 0.01 0.00 0.00 54.13 54.12 1n4i s LEU 22 Cb -0.22 -2.22 0.11 0.00 0.01 0.00 0.00 46.19 43.87 1n4i s LEU 22 CO -0.04 0.22 0.30 -0.89 1.01 0.00 0.00 176.35 176.95 1n4i s THR 23 N -1.24 -0.46 -1.06 5.49 2.01 -1.10 -4.25 115.64 115.03 1n4i s THR 23 Ca 0.24 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1n4i s THR 23 Cb -0.12 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1n4i s THR 23 CO 0.16 -0.17 0.91 0.59 -0.69 0.00 0.00 174.62 175.42 1n4i n ASN 24 N 5.34 -5.15 -1.82 3.53 4.13 0.56 -1.45 115.26 120.40 1n4i n ASN 24 Ca -0.04 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1n4i n ASN 24 Cb 0.50 -5.02 0.00 0.00 -1.54 0.00 0.00 39.78 33.72 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 -0.48 -0.33 -0.90 0.00 9.36 -1.24 -4.58 117.16 118.99 1n4i n TYR 26 Ca 0.00 -0.36 -0.30 0.00 3.32 0.00 0.00 57.90 60.56 1n4i n TYR 26 Cb 0.00 0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 39.29 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 -0.25 1.03 -3.68 2.97 0.31 -1.26 -4.37 118.33 113.08 1n4i n VAL 27 Ca -0.08 -0.33 -0.16 0.00 -0.01 0.00 0.00 64.34 63.76 1n4i n VAL 27 Cb 0.51 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.28 1n4i n VAL 27 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1n4i s ASP 28 N -0.66 0.61 -1.50 4.52 1.11 -1.21 -0.70 116.67 118.85 1n4i s ASP 28 Ca 0.41 0.34 -0.12 0.00 0.18 0.00 0.00 52.55 53.35 1n4i s ASP 28 Cb -0.55 0.27 0.08 0.00 1.07 0.00 0.00 42.92 43.79 1n4i s ASP 28 CO 0.38 -0.23 0.87 0.29 1.18 0.00 0.00 175.17 177.66 1n4i n LYS 29 N 5.16 -5.16 -4.48 8.23 5.02 -1.26 0.11 118.16 125.79 1n4i n LYS 29 Ca -0.08 0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 56.57 1n4i n LYS 29 Cb 0.50 -5.48 -0.08 0.00 -0.02 0.00 0.00 35.03 29.96 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 -3.14 2.66 0.06 4.39 0.01 -1.26 -1.06 113.70 115.35 1n4i s SER 30 Ca 0.59 -1.73 -0.00 0.00 1.31 0.00 0.00 55.95 56.12 1n4i s SER 30 Cb -0.30 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.52 1n4i s SER 30 CO 0.73 -1.00 -0.00 1.21 0.41 0.00 0.00 173.24 174.59 1n4i n GLU 31 N -0.89 0.00 -1.45 12.44 2.13 -1.24 -2.74 120.64 128.88 1n4i n GLU 31 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1n4i n GLU 31 Cb 0.64 -0.29 -0.00 0.00 0.27 0.00 0.00 31.44 32.06 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 -3.08 -2.66 0.00 6.31 0.31 -0.27 -3.72 118.33 115.22 1n4i n VAL 32 Ca -0.00 1.34 0.00 0.00 -0.01 0.00 0.00 64.34 65.67 1n4i n VAL 32 Cb 0.00 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.71 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 -2.57 -0.22 -1.67 3.52 4.01 -1.20 -4.40 117.16 114.64 1n4i n TYR 33 Ca -0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1n4i n TYR 33 Cb 0.45 0.37 0.05 0.00 -0.31 0.00 0.00 39.34 39.91 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 1.15 2.14 3.75 2.72 0.00 -1.15 -2.16 105.19 111.64 1n4i n GLY 34 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.07 2.85 -0.12 2.61 2.01 -0.75 -3.75 115.64 117.42 1n4i s THR 35 Ca 0.13 0.40 0.21 0.00 0.31 0.00 0.00 61.69 62.74 1n4i s THR 35 Cb 0.11 -2.92 -0.21 0.00 0.01 0.00 0.00 72.50 69.50 1n4i s THR 35 CO 0.01 -0.24 0.66 0.41 -0.69 0.00 0.00 174.62 174.76 1n4i n THR 36 N -2.61 0.44 -3.31 -0.82 -1.04 -0.94 -1.70 114.28 104.31 1n4i n THR 36 Ca 0.12 -0.57 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 1n4i n THR 36 Cb 0.51 -0.22 0.02 0.00 -1.82 0.00 0.00 70.33 68.82 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i n THR 38 N -0.89 3.64 -3.00 0.00 -1.04 -1.22 -2.71 114.28 109.06 1n4i n THR 38 Ca -0.06 -3.42 -0.12 0.00 -2.04 0.00 0.00 64.05 58.41 1n4i n THR 38 Cb 0.60 -2.52 0.06 0.00 -1.82 0.00 0.00 70.33 66.65 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 4.52 -0.12 2.74 3.41 0.00 -0.53 -3.13 105.19 112.08 1n4i n GLY 39 Ca 0.51 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4i n SER 40 N -2.47 0.18 -3.33 1.61 3.41 -1.16 -4.54 113.62 107.33 1n4i n SER 40 Ca -0.20 -2.83 -0.11 0.00 -0.26 0.00 0.00 58.87 55.47 1n4i n SER 40 Cb 0.62 1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 65.71 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i s ARG 41 N -3.21 1.94 0.01 4.33 1.70 -1.26 -3.70 118.95 118.76 1n4i s ARG 41 Ca 0.26 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 1n4i s ARG 41 Cb 0.01 0.52 -0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1n4i s ARG 41 CO 0.19 -0.85 0.00 1.19 -1.08 0.00 0.00 175.30 174.75 1n4i n PHE 42 N -0.51 0.01 -2.66 5.89 3.01 -1.26 -3.31 117.46 118.63 1n4i n PHE 42 Ca -0.03 -0.04 -0.03 0.00 1.01 0.00 0.00 57.45 58.36 1n4i n PHE 42 Cb 0.61 -0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.18 1n4i n PHE 42 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1n4i n ASP 43 N -1.32 -1.12 -0.03 4.37 2.03 -0.85 -3.30 116.55 116.33 1n4i n ASP 43 Ca -0.00 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.64 1n4i n ASP 43 Cb 0.01 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.80 0.91 0.00 0.27 0.00 0.31 -2.20 105.19 105.28 1n4i n GLY 44 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.03 0.00 -2.70 1.61 0.24 -0.23 -0.19 118.33 117.04 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 0.01 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.11 3.34 -1.04 0.63 -3.73 114.28 111.37 1n4i n THR 46 Ca 0.00 -1.16 -0.27 0.00 -2.04 0.00 0.00 64.05 60.58 1n4i n THR 46 Cb 0.00 1.22 0.09 0.00 -1.82 0.00 0.00 70.33 69.82 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 2.15 0.00 12.58 2.07 -1.26 -3.07 121.20 133.84 1n4i s ILE 47 Ca 0.20 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1n4i s ILE 47 Cb 0.29 -2.97 0.00 0.00 0.13 0.00 0.00 42.46 39.91 1n4i s ILE 47 CO -0.10 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.28 1n4i n THR 48 N -3.14 0.00 -1.87 4.00 -2.24 -0.83 -1.12 114.28 109.09 1n4i n THR 48 Ca 0.09 0.00 -0.22 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 68.78 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 3.37 3.28 -0.01 4.28 2.01 -1.26 -1.80 115.64 125.51 1n4i s THR 49 Ca 0.00 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1n4i s THR 49 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1n4i s THR 49 CO 0.00 -0.59 -0.10 -0.44 -0.69 0.00 0.00 174.62 172.80 1n4i s SER 50 N 9.10 1.21 -0.07 3.53 0.01 -1.25 -2.12 113.70 124.10 1n4i s SER 50 Ca 0.79 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1n4i s SER 50 Cb -0.09 -0.18 0.22 0.00 0.21 0.00 0.00 66.02 66.18 1n4i s SER 50 CO 0.03 0.11 0.91 0.41 0.41 0.00 0.00 173.24 175.10 1n4i n THR 51 N 2.93 0.89 -1.46 1.44 -1.04 -1.08 -2.21 114.28 113.76 1n4i n THR 51 Ca -0.15 -0.41 -0.57 0.00 -2.04 0.00 0.00 64.05 60.89 1n4i n THR 51 Cb 0.56 -0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.15 0.83 -4.23 8.00 3.41 0.15 -4.64 113.62 117.29 1n4i n SER 52 Ca 0.09 1.02 -0.36 0.00 -0.26 0.00 0.00 58.87 59.35 1n4i n SER 52 Cb 0.56 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 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 2.06 3.40 -0.44 6.66 2.01 -1.06 -3.45 115.64 124.82 1n4i s THR 53 Ca 0.88 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 1n4i s THR 53 Cb -1.25 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1n4i s THR 53 CO 0.66 -0.08 0.63 0.61 -0.69 0.00 0.00 174.62 175.75 1n4i n GLY 54 N 4.73 -0.69 3.43 4.40 0.00 -1.18 -2.48 105.19 113.40 1n4i n GLY 54 Ca -0.13 1.22 -0.06 0.00 0.00 0.00 0.00 46.02 47.04 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 -2.13 -0.66 -0.59 1.61 1.04 -1.25 -1.65 113.70 110.07 1n4i s SER 55 Ca 0.30 1.23 -0.28 0.00 0.48 0.00 0.00 55.95 57.69 1n4i s SER 55 Cb -0.06 1.58 0.01 0.00 0.10 0.00 0.00 66.02 67.65 1n4i s SER 55 CO 0.82 -0.22 1.45 -0.60 0.98 0.00 0.00 173.24 175.66 1n4i s ARG 56 N 2.41 3.21 -0.01 4.02 3.52 -1.26 -4.33 118.95 126.51 1n4i s ARG 56 Ca -0.05 0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1n4i s ARG 56 Cb -0.11 -4.16 0.12 0.00 -1.56 0.00 0.00 34.95 29.24 1n4i s ARG 56 CO -0.16 -2.06 0.99 -0.89 -0.81 0.00 0.00 175.30 172.37 1n4i n ILE 57 N 6.84 0.24 -0.95 4.11 2.08 -1.21 -2.85 119.36 127.62 1n4i n ILE 57 Ca 0.12 -0.18 -0.36 0.00 0.56 0.00 0.00 62.75 62.89 1n4i n ILE 57 Cb 0.49 -0.06 0.06 0.00 -0.75 0.00 0.00 39.64 39.38 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1n4i n SER 58 N -0.07 -4.50 0.00 4.38 3.41 -1.26 -4.53 113.62 111.04 1n4i n SER 58 Ca 0.04 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1n4i n SER 58 Cb 0.18 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1n4i n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4i n GLY 59 N 3.10 3.40 2.37 5.00 0.00 -0.93 -4.49 105.19 113.63 1n4i n GLY 59 Ca -0.01 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.47 2.59 0.00 1.61 -0.04 -1.26 -3.59 135.00 132.85 1n4i n PRO 60 Ca 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1n4i n PRO 60 Cb 0.00 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.40 1.44 3.40 0.55 0.00 0.10 -5.02 105.19 109.06 1n4i n GLY 61 Ca 0.55 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.98 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 0.97 2.41 -0.01 0.00 2.20 -1.25 0.23 119.74 124.29 1n4i s LYS 63 Ca 0.91 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1n4i s LYS 63 Cb -1.28 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1n4i s LYS 63 CO 0.62 0.61 0.10 0.42 -0.36 0.00 0.00 175.35 176.74 1n4i s ILE 64 N -0.73 0.05 -0.13 5.43 -1.09 -1.18 -4.57 121.20 118.98 1n4i s ILE 64 Ca 0.12 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 1n4i s ILE 64 Cb -0.11 -0.29 0.06 0.00 -1.58 0.00 0.00 42.46 40.54 1n4i s ILE 64 CO 0.01 -0.24 0.29 -0.44 -1.23 0.00 0.00 174.94 173.33 1n4i s SER 65 N -0.78 -0.12 -1.22 3.58 0.01 -1.26 -1.96 113.70 111.95 1n4i s SER 65 Ca -0.09 0.65 -0.32 0.00 1.31 0.00 0.00 55.95 57.50 1n4i s SER 65 Cb -0.05 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.86 1n4i s SER 65 CO 0.01 -0.20 0.67 0.41 0.41 0.00 0.00 173.24 174.54 1n4i n THR 66 N 4.67 -3.05 -3.98 1.44 -1.04 -0.90 -3.67 114.28 107.75 1n4i n THR 66 Ca -0.18 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.05 60.88 1n4i n THR 66 Cb 0.52 -2.50 -0.15 0.00 -1.82 0.00 0.00 70.33 66.37 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 6.70 0.00 -2.92 0.00 5.03 -1.89 -2.84 117.51 121.60 1n4i h ILE 68 Ca -0.18 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 64.83 1n4i h ILE 68 Cb 1.06 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.71 1n4i h ILE 68 CO 0.43 0.00 -0.90 -0.38 -0.68 0.00 0.00 178.15 176.61 1n4i n ILE 69 N -4.23 -0.53 0.00 -0.67 5.41 -1.26 0.34 119.36 118.43 1n4i n ILE 69 Ca -0.08 0.64 0.00 0.00 1.00 0.00 0.00 62.75 64.31 1n4i n ILE 69 Cb 0.29 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 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 -3.97 0.00 -1.58 1.39 -1.04 0.70 -2.56 114.28 107.21 1n4i n THR 70 Ca -0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.68 1n4i n THR 70 Cb 0.56 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.62 2.63 3.41 0.00 -1.03 -3.51 105.19 107.31 1n4i n GLY 71 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 5.65 1.25 3.28 -0.02 0.00 -0.66 -4.36 105.19 110.32 1n4i n GLY 72 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.09 1.88 -0.08 1.61 -7.23 -1.23 -4.35 120.40 108.91 1n4i s VAL 73 Ca 0.00 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.85 1n4i s VAL 73 Cb 0.00 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1n4i s VAL 73 CO 0.00 0.47 0.77 -2.16 -0.31 0.00 0.00 175.10 173.88 1n4i s PRO 74 N -0.70 4.42 0.83 4.82 0.04 -1.26 0.25 135.00 143.39 1n4i s PRO 74 Ca 0.09 0.99 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 1n4i s PRO 74 Cb -0.09 -3.48 0.13 0.00 0.04 0.00 0.00 34.50 31.10 1n4i s PRO 74 CO -0.00 -0.06 1.16 0.00 0.04 0.00 0.00 177.00 178.14 1n4i s ALA 75 N 1.19 2.80 -0.80 8.56 0.00 -1.26 -4.81 121.76 127.44 1n4i s ALA 75 Ca 0.40 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1n4i s ALA 75 Cb -0.18 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 1n4i s ALA 75 CO 0.18 -1.85 2.07 -0.35 0.00 0.00 0.00 175.76 175.81 1n4i n PRO 76 N -3.31 1.91 -2.97 0.00 -0.04 -1.26 -4.72 135.00 124.60 1n4i n PRO 76 Ca 0.12 -1.33 -0.42 0.00 -0.04 0.00 0.00 63.50 61.82 1n4i n PRO 76 Cb 0.60 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.39 6.49 0.00 3.54 0.15 -1.26 -4.89 113.70 121.12 1n4i s SER 77 Ca 0.37 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.34 1n4i s SER 77 Cb 0.10 -2.39 0.74 0.00 -1.71 0.00 0.00 66.02 62.76 1n4i s SER 77 CO -0.03 -0.78 1.37 0.00 1.20 0.00 0.00 173.24 175.00 1n4i n ALA 78 N 6.49 1.84 -0.07 5.45 0.00 -1.26 -2.75 120.51 130.21 1n4i n ALA 78 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1n4i n ALA 78 Cb 0.48 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.25 1.64 -0.85 0.00 0.00 -1.26 -5.01 120.51 113.79 1n4i n ALA 79 Ca 0.07 -0.90 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 1n4i n ALA 79 Cb 0.10 -0.03 0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 0.18 0.38 -3.66 0.00 0.00 -1.24 -4.98 118.16 108.85 1n4i n LYS 81 Ca 0.00 0.10 -0.29 0.00 -0.00 0.00 0.00 58.31 58.12 1n4i n LYS 81 Cb 0.64 -1.28 0.03 0.00 -0.00 0.00 0.00 35.03 34.42 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 -3.04 -5.83 0.00 0.58 2.08 -1.26 -4.94 119.36 106.94 1n4i n ILE 82 Ca -0.28 -0.77 0.00 0.00 0.56 0.00 0.00 62.75 62.26 1n4i n ILE 82 Cb 0.78 -4.33 0.00 0.00 -0.75 0.00 0.00 39.64 35.34 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 -2.55 0.00 -3.22 4.38 2.88 -1.26 -4.95 113.62 108.90 1n4i n SER 83 Ca -0.11 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.19 1n4i n SER 83 Cb 0.59 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.81 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 2.68 3.48 0.00 0.46 0.00 -1.26 -5.08 105.19 105.46 1n4i n GLY 84 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.25 0.00 5.66 -1.26 -5.02 114.28 109.41 1n4i n THR 86 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1n4i n THR 86 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 1n4i n THR 86 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1n4i s PHE 87 N -1.32 1.49 0.00 1.09 0.08 -1.25 -4.03 117.98 114.04 1n4i s PHE 87 Ca 0.00 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1n4i s PHE 87 Cb 0.00 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1n4i s PHE 87 CO 0.00 0.17 0.58 0.43 -0.10 0.00 0.00 175.22 176.30 1n4i n SER 88 N 0.73 0.00 0.00 1.36 7.64 -1.13 -4.81 113.62 117.41 1n4i n SER 88 Ca -0.17 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1n4i n SER 88 Cb 0.56 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 -0.43 0.00 -1.26 -4.61 120.51 114.22 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 0.54 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77