#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 4.48 2.91 0.27 0.00 -1.26 -4.99 105.19 106.59 1n4i n GLY 2 Ca 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 46.02 43.55 1n4i n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n4i n SER 3 N 0.72 -5.46 -3.44 1.61 2.88 -1.26 -5.04 113.62 103.63 1n4i n SER 3 Ca 0.28 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1n4i n SER 3 Cb 0.45 -3.30 -0.02 0.00 -0.75 0.00 0.00 64.21 60.59 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n THR 5 N -0.36 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 106.79 1n4i n THR 5 Ca -0.17 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1n4i n THR 5 Cb 0.65 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 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 0.09 0.00 0.00 8.00 5.15 -1.26 -2.01 115.26 125.22 1n4i n ASN 6 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1n4i n ASN 6 Cb 0.72 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.48 114.28 107.06 1n4i n THR 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n4i n THR 7 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.27 0.00 0.00 8.00 4.05 -0.85 -4.96 115.26 120.23 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 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1n4i n SER 9 N 0.00 0.00 0.00 1.20 7.64 -1.06 -4.80 113.62 116.60 1n4i n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1n4i n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1n4i n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n GLN 10 N 0.00 0.00 -3.22 1.43 10.64 -1.26 -5.02 117.38 119.95 1n4i n GLN 10 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 1n4i n GLN 10 Cb 0.00 -0.32 0.02 0.00 -0.86 0.00 0.00 30.24 29.09 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1n4i n LEU 11 N -1.86 -4.70 -4.36 2.61 7.94 -1.26 -4.76 117.00 110.61 1n4i n LEU 11 Ca 0.00 0.23 -0.39 0.00 -1.11 0.00 0.00 56.01 54.74 1n4i n LEU 11 Cb 0.00 -2.28 0.02 0.00 0.53 0.00 0.00 43.42 41.69 1n4i n LEU 11 CO 0.00 -1.12 -0.29 -0.24 -1.11 0.00 0.00 177.39 174.63 1n4i n SER 12 N 0.00 -2.36 0.00 1.96 2.88 -0.53 -4.73 113.62 110.85 1n4i n SER 12 Ca -0.01 0.70 0.02 0.00 -1.33 0.00 0.00 58.87 58.26 1n4i n SER 12 Cb 0.55 -1.01 0.10 0.00 -0.75 0.00 0.00 64.21 63.10 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 13 N -1.58 1.19 1.11 -1.46 0.00 -1.26 -0.94 120.51 117.57 1n4i n ALA 13 Ca 0.10 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1n4i n ALA 13 Cb 0.47 -1.07 0.30 0.00 0.00 0.00 0.00 19.45 19.15 1n4i n ALA 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n4i n ASN 14 N -1.52 0.74 -2.94 0.00 2.85 -1.26 -4.41 115.26 108.72 1n4i n ASN 14 Ca 0.01 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.94 1n4i n ASN 14 Cb 0.05 0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1n4i n SER 15 N -1.12 0.00 -3.97 1.20 2.88 -0.11 -4.11 113.62 108.39 1n4i n SER 15 Ca 0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.46 1n4i n SER 15 Cb 0.34 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.66 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 0.07 0.45 -0.07 -1.46 2.20 -1.24 -4.75 119.74 114.93 1n4i s LYS 16 Ca 0.00 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1n4i s LYS 16 Cb 0.00 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1n4i s LYS 16 CO 0.00 0.12 -0.13 0.00 -0.36 0.00 0.00 175.35 174.98 1n4i n GLU 18 N 2.62 0.00 -0.87 0.00 0.00 -1.26 -4.98 120.64 116.14 1n4i n GLU 18 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.06 1n4i n GLU 18 Cb 0.52 0.00 0.40 0.00 0.00 0.00 0.00 31.44 32.36 1n4i n GLU 18 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1n4i n LYS 19 N 0.00 4.78 -0.53 3.44 2.85 -1.26 -4.99 118.16 122.45 1n4i n LYS 19 Ca 0.00 -3.10 -0.29 0.00 -1.05 0.00 0.00 58.31 53.87 1n4i n LYS 19 Cb 0.00 -2.23 0.23 0.00 -0.65 0.00 0.00 35.03 32.38 1n4i n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1n4i n SER 20 N 0.66 -1.51 -3.51 -5.58 2.88 -1.21 -4.93 113.62 100.42 1n4i n SER 20 Ca 0.27 -0.06 -0.29 0.00 -1.33 0.00 0.00 58.87 57.47 1n4i n SER 20 Cb 1.17 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 63.22 1n4i n SER 20 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1n4i s THR 21 N -2.42 -0.02 0.00 2.46 -1.32 -1.24 -5.02 115.64 108.08 1n4i s THR 21 Ca 0.67 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1n4i s THR 21 Cb -0.24 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1n4i s THR 21 CO 0.64 -0.80 0.00 0.00 -2.21 0.00 0.00 174.62 172.26 1n4i n LEU 22 N 4.91 0.00 -3.62 9.08 -0.00 -1.25 -3.89 117.00 122.22 1n4i n LEU 22 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.90 1n4i n LEU 22 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.76 1n4i n LEU 22 CO 0.07 0.00 0.70 -0.89 -0.00 0.00 0.00 177.39 177.27 1n4i s THR 23 N -0.94 0.00 -1.35 1.47 2.01 0.69 -4.60 115.64 112.92 1n4i s THR 23 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1n4i s THR 23 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 1n4i s THR 23 CO 0.00 0.00 0.53 0.59 -0.69 0.00 0.00 174.62 175.05 1n4i n ASN 24 N 1.97 -2.95 -3.06 3.53 4.13 -1.26 -2.51 115.26 115.11 1n4i n ASN 24 Ca -0.13 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.53 1n4i n ASN 24 Cb 0.56 -2.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.33 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 -0.03 0.00 -1.26 0.00 9.36 -1.13 -4.39 117.16 119.71 1n4i n TYR 26 Ca 0.00 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.86 1n4i n TYR 26 Cb 0.00 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 38.79 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 0.00 1.94 -3.65 2.97 0.31 -1.26 -3.70 118.33 114.94 1n4i n VAL 27 Ca 0.00 -0.37 -0.07 0.00 -0.01 0.00 0.00 64.34 63.89 1n4i n VAL 27 Cb 0.00 -0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 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 -1.56 -0.90 -1.26 4.52 -1.08 -1.02 -1.45 116.67 113.92 1n4i s ASP 28 Ca 0.67 1.44 -0.07 0.00 -0.52 0.00 0.00 52.55 54.07 1n4i s ASP 28 Cb -0.34 1.38 0.05 0.00 -1.46 0.00 0.00 42.92 42.55 1n4i s ASP 28 CO 0.56 -0.23 0.42 0.29 0.52 0.00 0.00 175.17 176.73 1n4i n LYS 29 N 4.41 -3.36 -0.23 4.34 5.02 -1.26 -1.18 118.16 125.91 1n4i n LYS 29 Ca -0.20 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1n4i n LYS 29 Cb 0.58 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -2.22 1.55 0.10 4.39 7.64 -1.26 -2.39 113.62 121.43 1n4i n SER 30 Ca -0.05 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1n4i n SER 30 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 0.00 -1.44 1.43 2.13 -1.20 -3.92 120.64 117.63 1n4i n GLU 31 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1n4i n GLU 31 Cb 0.00 -0.03 -0.06 0.00 0.27 0.00 0.00 31.44 31.62 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 -3.19 -1.57 0.00 6.31 0.31 -0.61 -3.72 118.33 115.86 1n4i n VAL 32 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 64.34 65.43 1n4i n VAL 32 Cb 0.00 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 -3.71 0.00 -2.56 3.52 4.01 -1.20 -4.83 117.16 112.39 1n4i n TYR 33 Ca -0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.69 1n4i n TYR 33 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.66 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 -0.56 1.28 3.86 2.72 0.00 -1.22 -3.36 105.19 107.90 1n4i n GLY 34 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.22 4.56 -0.62 2.61 2.01 -1.15 -2.97 115.64 118.87 1n4i s THR 35 Ca 0.25 0.95 0.02 0.00 0.31 0.00 0.00 61.69 63.22 1n4i s THR 35 Cb 0.32 -3.76 0.39 0.00 0.01 0.00 0.00 72.50 69.46 1n4i s THR 35 CO -0.10 -0.97 1.50 0.41 -0.69 0.00 0.00 174.62 174.76 1n4i n THR 36 N -2.45 2.93 -1.71 -0.82 -1.04 -1.17 -3.68 114.28 106.33 1n4i n THR 36 Ca 0.06 -4.69 -0.66 0.00 -2.04 0.00 0.00 64.05 56.72 1n4i n THR 36 Cb 0.54 -1.26 -0.09 0.00 -1.82 0.00 0.00 70.33 67.69 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 3.72 2.28 0.00 0.00 -1.04 -1.26 -0.22 114.28 117.76 1n4i n THR 38 Ca 0.29 -2.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 1n4i n THR 38 Cb -0.02 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 -0.88 0.86 0.00 3.41 0.00 -1.04 -4.86 105.19 102.67 1n4i n GLY 39 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 1.44 -3.60 1.61 2.88 -1.25 -4.73 113.62 109.97 1n4i n SER 40 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1n4i n SER 40 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 1.52 0.62 0.44 -1.46 3.52 -1.26 -2.85 118.95 119.48 1n4i s ARG 41 Ca 0.00 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1n4i s ARG 41 Cb 0.00 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 1n4i s ARG 41 CO 0.00 -0.14 0.16 -0.06 -0.81 0.00 0.00 175.30 174.45 1n4i s PHE 42 N -0.45 2.35 -0.35 5.12 0.08 -1.24 -3.50 117.98 120.00 1n4i s PHE 42 Ca -0.01 -0.69 0.12 0.00 0.12 0.00 0.00 56.93 56.47 1n4i s PHE 42 Cb -0.03 -1.88 0.39 0.00 -0.57 0.00 0.00 43.02 40.94 1n4i s PHE 42 CO -0.01 0.14 1.47 -3.47 -0.10 0.00 0.00 175.22 173.26 1n4i n ASP 43 N -1.27 -1.56 0.00 1.36 -0.08 -1.03 -2.44 116.55 111.53 1n4i n ASP 43 Ca -0.04 -2.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.98 1n4i n ASP 43 Cb 0.65 0.77 0.00 0.00 2.34 0.00 0.00 41.12 44.88 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 -1.25 0.26 0.39 0.27 0.00 -0.32 -4.25 105.19 100.29 1n4i n GLY 44 Ca -0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.86 1.61 0.24 -1.03 -3.50 118.33 112.80 1n4i n VAL 45 Ca 0.00 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 1n4i n VAL 45 Cb 0.00 0.13 0.05 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.09 0.01 -1.97 3.34 -1.04 -0.89 -3.25 114.28 110.39 1n4i n THR 46 Ca 0.00 -2.50 -0.28 0.00 -2.04 0.00 0.00 64.05 59.23 1n4i n THR 46 Cb 0.07 0.88 0.08 0.00 -1.82 0.00 0.00 70.33 69.54 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 -0.74 2.28 0.00 12.58 2.07 -1.26 -2.55 121.20 133.57 1n4i s ILE 47 Ca 0.28 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1n4i s ILE 47 Cb 0.33 -3.07 0.00 0.00 0.13 0.00 0.00 42.46 39.85 1n4i s ILE 47 CO -0.06 -0.09 0.00 0.35 -1.91 0.00 0.00 174.94 173.24 1n4i n THR 48 N -3.18 0.00 -1.54 4.00 -2.24 -0.73 -1.57 114.28 109.02 1n4i n THR 48 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 1n4i n THR 48 Cb 0.60 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.01 -3.70 4.28 -1.04 -1.26 -2.95 114.28 109.59 1n4i n THR 49 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 1n4i n THR 49 Cb 0.00 -1.40 -0.09 0.00 -1.82 0.00 0.00 70.33 67.02 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 7.68 -0.43 -0.14 8.00 0.01 -1.16 0.95 113.70 128.61 1n4i s SER 50 Ca 1.07 0.70 -0.10 0.00 1.31 0.00 0.00 55.95 58.93 1n4i s SER 50 Cb -0.41 0.74 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1n4i s SER 50 CO 0.27 -0.29 0.19 -0.89 0.41 0.00 0.00 173.24 172.93 1n4i s THR 51 N -0.32 5.40 -0.22 1.44 2.01 -0.90 -3.05 115.64 119.99 1n4i s THR 51 Ca -0.05 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1n4i s THR 51 Cb -0.03 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 69.05 1n4i s THR 51 CO 0.03 0.52 0.55 -0.94 -0.69 0.00 0.00 174.62 174.09 1n4i s SER 52 N -0.36 -0.72 -0.29 3.53 1.04 -1.24 0.27 113.70 115.92 1n4i s SER 52 Ca 0.14 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 1n4i s SER 52 Cb -0.12 1.08 0.03 0.00 0.10 0.00 0.00 66.02 67.10 1n4i s SER 52 CO 0.03 -0.21 0.03 -0.89 0.98 0.00 0.00 173.24 173.18 1n4i s THR 53 N 1.41 3.42 -0.29 2.02 2.01 0.18 -4.34 115.64 120.04 1n4i s THR 53 Ca -0.09 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.81 1n4i s THR 53 Cb -0.06 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1n4i s THR 53 CO -0.15 0.02 0.22 0.61 -0.69 0.00 0.00 174.62 174.64 1n4i n GLY 54 N 4.75 -2.21 3.09 4.40 0.00 -1.26 0.26 105.19 114.22 1n4i n GLY 54 Ca -0.14 0.65 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.73 -0.44 -0.09 1.61 1.04 -1.26 -1.22 113.70 111.61 1n4i s SER 55 Ca 0.11 0.64 -0.29 0.00 0.48 0.00 0.00 55.95 56.89 1n4i s SER 55 Cb -0.02 1.56 -0.05 0.00 0.10 0.00 0.00 66.02 67.61 1n4i s SER 55 CO 0.64 -0.27 1.68 -0.60 0.98 0.00 0.00 173.24 175.66 1n4i s ARG 56 N 2.68 4.06 -0.03 4.02 3.52 -1.26 -4.36 118.95 127.58 1n4i s ARG 56 Ca 0.12 2.09 0.20 0.00 -0.13 0.00 0.00 55.73 58.00 1n4i s ARG 56 Cb -0.15 -4.02 0.61 0.00 -1.56 0.00 0.00 34.95 29.83 1n4i s ARG 56 CO -0.17 -0.99 1.51 -0.89 -0.81 0.00 0.00 175.30 173.95 1n4i n ILE 57 N 5.75 1.08 -1.34 4.11 2.08 -1.23 -2.33 119.36 127.48 1n4i n ILE 57 Ca 0.18 -0.93 -0.43 0.00 0.56 0.00 0.00 62.75 62.13 1n4i n ILE 57 Cb 0.43 0.36 -0.01 0.00 -0.75 0.00 0.00 39.64 39.67 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 1.35 -2.34 0.00 4.38 7.64 -1.26 -4.59 113.62 118.80 1n4i n SER 58 Ca 0.23 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1n4i n SER 58 Cb 0.63 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 2.21 1.73 0.01 0.23 0.00 -1.23 -4.69 105.19 103.45 1n4i n GLY 59 Ca 0.13 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.24 1.01 -0.89 1.61 -0.04 -1.26 -4.06 135.00 131.13 1n4i n PRO 60 Ca 0.00 -0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.44 1n4i n PRO 60 Cb 0.00 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 0.94 -0.50 3.72 0.55 0.00 -1.26 -5.06 105.19 103.57 1n4i n GLY 61 Ca 0.21 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.72 0.49 0.11 0.00 2.20 -1.19 -2.09 119.74 115.54 1n4i s LYS 63 Ca 0.78 1.02 0.10 0.00 -0.36 0.00 0.00 55.97 57.51 1n4i s LYS 63 Cb -0.33 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1n4i s LYS 63 CO 0.44 -0.47 -0.24 0.42 -0.36 0.00 0.00 175.35 175.14 1n4i s ILE 64 N 2.77 2.41 -0.21 5.43 1.01 -1.06 -4.68 121.20 126.86 1n4i s ILE 64 Ca 0.09 -1.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 1n4i s ILE 64 Cb -0.14 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.38 1n4i s ILE 64 CO -0.18 0.16 0.40 -0.44 0.00 0.00 0.00 174.94 174.87 1n4i s SER 65 N -1.89 -0.07 -0.74 3.58 0.01 -1.26 -1.77 113.70 111.56 1n4i s SER 65 Ca 0.14 0.74 -0.03 0.00 1.31 0.00 0.00 55.95 58.12 1n4i s SER 65 Cb -0.10 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1n4i s SER 65 CO 0.06 -0.25 0.65 0.41 0.41 0.00 0.00 173.24 174.52 1n4i n THR 66 N 5.38 -7.21 -3.64 1.44 -1.04 0.27 -4.00 114.28 105.48 1n4i n THR 66 Ca -0.07 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 61.62 1n4i n THR 66 Cb 0.50 -5.20 -0.17 0.00 -1.82 0.00 0.00 70.33 63.63 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 2.10 4.07 0.07 0.00 -1.09 -1.22 -2.12 121.20 123.00 1n4i s ILE 68 Ca 0.02 1.87 -0.08 0.00 -2.23 0.00 0.00 60.65 60.22 1n4i s ILE 68 Cb -0.16 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1n4i s ILE 68 CO -0.08 0.36 0.18 -0.63 -1.23 0.00 0.00 174.94 173.54 1n4i s ILE 69 N -0.53 0.14 -0.30 2.92 1.01 0.76 0.21 121.20 125.41 1n4i s ILE 69 Ca 0.46 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1n4i s ILE 69 Cb -0.27 -1.21 0.18 0.00 0.01 0.00 0.00 42.46 41.18 1n4i s ILE 69 CO 0.33 -0.62 0.51 -0.89 0.00 0.00 0.00 174.94 174.28 1n4i s THR 70 N -3.44 -0.83 0.00 2.92 2.01 0.12 0.47 115.64 116.89 1n4i s THR 70 Ca 0.02 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1n4i s THR 70 Cb 0.03 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1n4i s THR 70 CO -0.09 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 1n4i n GLY 71 N 5.29 0.77 1.17 4.40 0.00 0.73 -3.80 105.19 113.76 1n4i n GLY 71 Ca 0.04 -0.46 0.00 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 -2.33 0.67 3.15 -0.02 0.00 -0.46 -3.27 105.19 102.93 1n4i n GLY 72 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 1.61 0.36 1.61 -7.23 -1.25 -4.25 120.40 109.25 1n4i s VAL 73 Ca 0.00 -0.79 -0.25 0.00 -1.81 0.00 0.00 61.98 59.13 1n4i s VAL 73 Cb 0.00 -1.39 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 1n4i s VAL 73 CO 0.00 0.46 1.01 -2.16 -0.31 0.00 0.00 175.10 174.09 1n4i s PRO 74 N 0.22 4.39 0.54 4.82 0.04 -1.26 0.11 135.00 143.86 1n4i s PRO 74 Ca -0.10 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.47 1n4i s PRO 74 Cb -0.14 -2.69 0.07 0.00 0.04 0.00 0.00 34.50 31.77 1n4i s PRO 74 CO 0.04 0.07 0.75 0.00 0.04 0.00 0.00 177.00 177.91 1n4i s ALA 75 N -1.62 4.57 -0.59 8.56 0.00 0.57 -4.88 121.76 128.37 1n4i s ALA 75 Ca 0.54 -1.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 1n4i s ALA 75 Cb -0.21 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 1n4i s ALA 75 CO 0.27 -0.75 1.63 -1.25 0.00 0.00 0.00 175.76 175.65 1n4i s PRO 76 N -4.62 2.99 -0.00 0.00 0.04 -1.26 -4.64 135.00 127.50 1n4i s PRO 76 Ca 0.60 0.52 0.01 0.00 0.04 0.00 0.00 61.00 62.17 1n4i s PRO 76 Cb -0.07 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 30.20 1n4i s PRO 76 CO 0.38 -2.31 0.02 0.45 0.04 0.00 0.00 177.00 175.57 1n4i n SER 77 N 11.01 4.76 -0.36 6.66 2.88 -1.26 -4.99 113.62 132.33 1n4i n SER 77 Ca 0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1n4i n SER 77 Cb 0.50 0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 64.81 1n4i n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 78 N -1.71 -0.07 0.00 -1.46 0.00 -1.26 -4.60 120.51 111.40 1n4i n ALA 78 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1n4i n ALA 78 Cb 0.20 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.09 0.03 -0.69 0.00 0.00 -1.26 -5.10 120.51 114.57 1n4i n ALA 79 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1n4i n ALA 79 Cb 0.51 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.19 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 -4.71 0.85 -3.94 0.00 0.00 -1.26 -5.02 118.16 104.09 1n4i n LYS 81 Ca 0.04 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 58.00 1n4i n LYS 81 Cb 0.55 -1.44 0.03 0.00 -0.00 0.00 0.00 35.03 34.16 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 -2.91 -3.83 0.00 0.58 2.08 -1.26 -4.94 119.36 109.08 1n4i n ILE 82 Ca -0.34 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.26 1n4i n ILE 82 Cb 0.98 -3.02 0.00 0.00 -0.75 0.00 0.00 39.64 36.86 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 -2.33 0.00 -3.37 4.38 7.64 -1.26 -4.89 113.62 113.79 1n4i n SER 83 Ca -0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 1n4i n SER 83 Cb 0.57 0.00 -0.06 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 5.00 1.84 2.28 0.23 0.00 -1.26 -4.72 105.19 108.56 1n4i n GLY 84 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i s THR 86 N -2.43 0.00 0.14 0.00 -1.32 -1.26 -5.01 115.64 105.75 1n4i s THR 86 Ca 0.10 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 1n4i s THR 86 Cb -0.03 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1n4i s THR 86 CO 0.07 0.00 -0.15 -0.36 -2.21 0.00 0.00 174.62 171.96 1n4i s PHE 87 N -2.08 1.54 0.00 9.09 0.08 -1.26 -4.41 117.98 120.95 1n4i s PHE 87 Ca 0.12 -0.53 0.10 0.00 0.12 0.00 0.00 56.93 56.73 1n4i s PHE 87 Cb -0.00 -0.79 0.16 0.00 -0.57 0.00 0.00 43.02 41.81 1n4i s PHE 87 CO -0.03 0.21 1.00 0.45 -0.10 0.00 0.00 175.22 176.75 1n4i n SER 88 N 0.41 0.25 -2.97 1.36 2.88 -0.99 -4.81 113.62 109.76 1n4i n SER 88 Ca -0.14 -1.88 -0.08 0.00 -1.33 0.00 0.00 58.87 55.44 1n4i n SER 88 Cb 0.57 -0.15 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.19 -2.88 0.50 -1.46 0.00 -1.20 -4.47 120.51 111.18 1n4i n ALA 89 Ca -0.01 0.55 0.04 0.00 0.00 0.00 0.00 53.44 54.02 1n4i n ALA 89 Cb 0.84 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.71 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77