#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 -1.83 7.00 0.44 0.00 -1.26 -5.05 105.19 104.49 1n4i n GLY 2 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.03 -0.93 -1.27 1.61 2.88 -1.26 -4.82 113.62 109.87 1n4i n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n4i n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i s THR 5 N -3.73 -0.62 -0.41 0.00 2.01 -1.26 -4.77 115.64 106.86 1n4i s THR 5 Ca 0.00 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 1n4i s THR 5 Cb 0.00 0.00 -0.30 0.00 0.01 0.00 0.00 72.50 72.21 1n4i s THR 5 CO 0.00 0.00 1.77 -0.46 -0.69 0.00 0.00 174.62 175.24 1n4i n ASN 6 N 3.33 1.44 0.00 3.53 0.23 -1.26 -3.41 115.26 119.11 1n4i n ASN 6 Ca 0.12 -2.54 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 1n4i n ASN 6 Cb 0.60 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 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 7.28 0.00 0.00 5.53 -1.04 -1.26 0.85 114.28 125.65 1n4i n THR 7 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1n4i n THR 7 Cb 0.43 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 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 -0.12 0.00 -1.36 8.00 4.05 -1.22 -4.83 115.26 119.78 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 0.06 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.07 1n4i n ASN 8 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1n4i n SER 9 N 0.00 -4.37 -1.90 1.20 2.88 -1.25 -4.91 113.62 105.26 1n4i n SER 9 Ca 0.00 0.57 0.03 0.00 -1.33 0.00 0.00 58.87 58.13 1n4i n SER 9 Cb 0.00 -2.33 0.03 0.00 -0.75 0.00 0.00 64.21 61.16 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 0.58 0.58 -1.51 -1.46 7.27 -1.26 -4.92 117.38 116.65 1n4i n GLN 10 Ca 0.00 -2.50 -0.55 0.00 0.07 0.00 0.00 57.00 54.03 1n4i n GLN 10 Cb 0.00 -0.53 -0.08 0.00 2.41 0.00 0.00 30.24 32.04 1n4i n GLN 10 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1n4i n LEU 11 N 0.13 2.02 -0.08 1.69 7.99 -1.08 -4.54 117.00 123.14 1n4i n LEU 11 Ca 0.07 0.71 -0.02 0.00 -0.01 0.00 0.00 56.01 56.75 1n4i n LEU 11 Cb 1.03 -1.16 -0.02 0.00 -0.11 0.00 0.00 43.42 43.17 1n4i n LEU 11 CO -0.00 -0.62 0.32 -1.54 -1.51 0.00 0.00 177.39 174.04 1n4i n SER 12 N 7.80 -0.19 0.00 -1.43 3.41 -0.76 -4.76 113.62 117.68 1n4i n SER 12 Ca 0.38 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1n4i n SER 12 Cb 0.15 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.89 0.00 -0.60 7.33 0.00 -1.26 -4.96 120.51 118.13 1n4i n ALA 13 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1n4i n ALA 13 Cb 0.05 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 3.01 -2.73 0.00 0.23 -1.26 -5.02 115.26 109.49 1n4i n ASN 14 Ca 0.00 -2.56 -0.05 0.00 -0.53 0.00 0.00 54.58 51.44 1n4i n ASN 14 Cb 0.00 -0.34 0.04 0.00 -2.08 0.00 0.00 39.78 37.40 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 -0.38 -1.37 -3.84 0.53 2.88 -1.26 -4.42 113.62 105.77 1n4i n SER 15 Ca 0.14 -0.52 -0.12 0.00 -1.33 0.00 0.00 58.87 57.04 1n4i n SER 15 Cb 0.60 -0.16 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 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 -3.37 0.23 -0.20 -1.46 2.20 -0.81 -4.87 119.74 111.46 1n4i s LYS 16 Ca 0.11 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.67 1n4i s LYS 16 Cb -0.01 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.49 1n4i s LYS 16 CO 0.08 -0.04 0.48 0.00 -0.36 0.00 0.00 175.35 175.51 1n4i n GLU 18 N 4.64 0.00 -2.71 0.00 -0.58 -1.26 -4.45 120.64 116.27 1n4i n GLU 18 Ca -0.18 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.48 1n4i n GLU 18 Cb 0.54 -0.35 0.10 0.00 -0.57 0.00 0.00 31.44 31.16 1n4i n GLU 18 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1n4i n LYS 19 N -2.96 0.99 -1.43 3.49 2.85 -1.26 -4.93 118.16 114.91 1n4i n LYS 19 Ca 0.00 -1.74 -0.04 0.00 -1.05 0.00 0.00 58.31 55.48 1n4i n LYS 19 Cb 0.29 -0.53 0.01 0.00 -0.65 0.00 0.00 35.03 34.16 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1n4i n SER 20 N -0.06 0.50 -3.17 -5.58 3.41 -0.78 -4.62 113.62 103.32 1n4i n SER 20 Ca -0.00 -1.29 -0.22 0.00 -0.26 0.00 0.00 58.87 57.10 1n4i n SER 20 Cb 0.76 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 1n4i n SER 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n4i n THR 21 N -1.18 0.40 -1.76 6.66 -1.04 -1.01 -4.97 114.28 111.39 1n4i n THR 21 Ca 0.03 -4.63 -0.27 0.00 -2.04 0.00 0.00 64.05 57.14 1n4i n THR 21 Cb 0.11 -1.10 0.19 0.00 -1.82 0.00 0.00 70.33 67.71 1n4i n THR 21 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n4i n LEU 22 N 0.59 0.00 -3.51 -4.42 4.77 -1.22 -3.73 117.00 109.48 1n4i n LEU 22 Ca 0.25 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1n4i n LEU 22 Cb 0.56 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1n4i n LEU 22 CO 0.24 -1.45 0.40 -0.89 -1.33 0.00 0.00 177.39 174.36 1n4i s THR 23 N -3.58 -0.79 -1.31 -5.08 2.01 -0.69 -4.54 115.64 101.65 1n4i s THR 23 Ca 0.69 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 1n4i s THR 23 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1n4i s THR 23 CO 0.49 0.00 1.00 0.59 -0.69 0.00 0.00 174.62 176.01 1n4i n ASN 24 N 5.27 -3.52 0.00 3.53 5.03 0.25 -1.43 115.26 124.38 1n4i n ASN 24 Ca -0.10 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.69 1n4i n ASN 24 Cb 0.51 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4i n TYR 26 N 0.00 -0.12 -1.46 0.00 4.19 -1.23 -4.46 117.16 114.09 1n4i n TYR 26 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1n4i n TYR 26 Cb 0.00 0.02 0.00 0.00 0.49 0.00 0.00 39.34 39.85 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1n4i n VAL 27 N -1.22 -2.25 -3.66 2.97 0.31 -1.26 -2.49 118.33 110.74 1n4i n VAL 27 Ca 0.00 1.12 -0.05 0.00 -0.01 0.00 0.00 64.34 65.40 1n4i n VAL 27 Cb 0.00 -1.85 -0.07 0.00 -0.91 0.00 0.00 33.84 31.01 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 -5.03 -0.74 -1.26 4.52 -1.08 -1.06 -1.83 116.67 110.19 1n4i s ASP 28 Ca 0.00 1.30 -0.11 0.00 -0.52 0.00 0.00 52.55 53.22 1n4i s ASP 28 Cb 0.00 1.70 -0.00 0.00 -1.46 0.00 0.00 42.92 43.15 1n4i s ASP 28 CO 0.00 -0.22 0.64 0.29 0.52 0.00 0.00 175.17 176.40 1n4i n LYS 29 N 5.16 -2.43 -3.18 4.34 5.02 -1.26 -0.39 118.16 125.41 1n4i n LYS 29 Ca -0.13 0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1n4i n LYS 29 Cb 0.51 -4.38 -0.04 0.00 -0.02 0.00 0.00 35.03 31.10 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 -2.83 -0.54 0.03 4.39 7.64 -1.26 0.84 113.62 121.88 1n4i n SER 30 Ca -0.20 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1n4i n SER 30 Cb 0.64 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 1n4i n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n4i n GLU 31 N -0.36 0.00 -1.36 1.43 1.02 -1.19 -1.92 120.64 118.27 1n4i n GLU 31 Ca 0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1n4i n GLU 31 Cb 0.35 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.65 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n4i n VAL 32 N -2.79 -1.91 0.00 2.62 0.31 -0.39 -4.05 118.33 112.12 1n4i n VAL 32 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 64.34 65.46 1n4i n VAL 32 Cb 0.00 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 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 -3.14 -0.38 -2.18 3.52 4.01 -1.22 -4.68 117.16 113.09 1n4i n TYR 33 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1n4i n TYR 33 Cb 0.51 0.15 0.03 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.01 1.19 3.78 2.72 0.00 -1.21 -1.87 105.19 109.80 1n4i n GLY 34 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.31 3.43 -0.76 2.61 2.01 -0.59 -3.32 115.64 118.72 1n4i s THR 35 Ca 0.20 0.82 0.02 0.00 0.31 0.00 0.00 61.69 63.04 1n4i s THR 35 Cb 0.22 -3.32 0.35 0.00 0.01 0.00 0.00 72.50 69.77 1n4i s THR 35 CO -0.08 -0.26 1.50 0.41 -0.69 0.00 0.00 174.62 175.50 1n4i n THR 36 N -1.49 4.03 -1.39 -0.82 -1.04 -0.83 -2.39 114.28 110.35 1n4i n THR 36 Ca 0.10 -5.30 -0.47 0.00 -2.04 0.00 0.00 64.05 56.34 1n4i n THR 36 Cb 0.52 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.11 1.05 0.00 0.00 -1.04 -1.25 -1.71 114.28 111.23 1n4i n THR 38 Ca 0.17 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.02 1n4i n THR 38 Cb 0.27 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.66 0.48 0.00 3.41 0.00 -0.51 -4.82 105.19 103.09 1n4i n GLY 39 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.53 -4.01 1.61 7.64 -1.23 -4.61 113.62 113.55 1n4i n SER 40 Ca 0.00 -0.92 -0.11 0.00 1.01 0.00 0.00 58.87 58.85 1n4i n SER 40 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i s ARG 41 N -1.77 1.46 0.40 1.43 1.04 -1.26 -3.53 118.95 116.72 1n4i s ARG 41 Ca 0.00 -1.43 0.04 0.00 -1.04 0.00 0.00 55.73 53.30 1n4i s ARG 41 Cb 0.00 0.40 -0.02 0.00 -2.04 0.00 0.00 34.95 33.29 1n4i s ARG 41 CO 0.00 -0.57 0.14 -0.06 -0.04 0.00 0.00 175.30 174.78 1n4i s PHE 42 N -3.99 1.78 -0.39 5.89 0.08 -1.26 -3.68 117.98 116.41 1n4i s PHE 42 Ca 0.29 -1.32 0.03 0.00 0.12 0.00 0.00 56.93 56.04 1n4i s PHE 42 Cb 0.02 -1.12 0.29 0.00 -0.57 0.00 0.00 43.02 41.64 1n4i s PHE 42 CO 0.11 -0.35 1.16 -3.47 -0.10 0.00 0.00 175.22 172.57 1n4i n ASP 43 N -1.34 -1.89 0.00 1.36 -0.08 -0.69 -2.55 116.55 111.36 1n4i n ASP 43 Ca -0.05 -2.54 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1n4i n ASP 43 Cb 0.65 1.33 0.00 0.00 2.34 0.00 0.00 41.12 45.43 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 0.61 2.37 0.27 0.00 0.25 -2.65 105.19 107.14 1n4i n GLY 44 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.80 1.61 0.24 0.03 -1.28 118.33 116.14 1n4i n VAL 45 Ca 0.00 -1.62 -0.10 0.00 -2.04 0.00 0.00 64.34 60.57 1n4i n VAL 45 Cb 0.00 0.46 0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.73 0.12 -2.04 3.34 -1.04 0.65 -3.16 114.28 111.42 1n4i n THR 46 Ca -0.09 -2.31 -0.28 0.00 -2.04 0.00 0.00 64.05 59.33 1n4i n THR 46 Cb 0.43 0.90 0.13 0.00 -1.82 0.00 0.00 70.33 69.96 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 -0.77 2.07 0.00 12.58 2.07 -1.26 -2.69 121.20 133.19 1n4i s ILE 47 Ca 0.26 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 1n4i s ILE 47 Cb 0.36 -2.95 0.00 0.00 0.13 0.00 0.00 42.46 40.00 1n4i s ILE 47 CO -0.05 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.33 1n4i n THR 48 N -3.38 0.00 -1.54 4.00 -2.24 -0.36 -1.26 114.28 109.50 1n4i n THR 48 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 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 -3.89 4.28 -1.04 -1.26 -1.54 114.28 110.83 1n4i n THR 49 Ca 0.00 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.05 61.76 1n4i n THR 49 Cb 0.00 -1.83 -0.12 0.00 -1.82 0.00 0.00 70.33 66.56 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 8.34 0.04 -0.20 8.00 0.15 -1.21 -2.28 113.70 126.54 1n4i s SER 50 Ca 0.80 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 1n4i s SER 50 Cb -0.08 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1n4i s SER 50 CO 0.16 -0.20 0.21 -0.89 1.20 0.00 0.00 173.24 173.72 1n4i s THR 51 N -0.78 5.35 -0.03 6.45 2.01 0.09 -1.96 115.64 126.76 1n4i s THR 51 Ca -0.09 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1n4i s THR 51 Cb -0.05 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1n4i s THR 51 CO 0.00 0.38 0.07 -0.94 -0.69 0.00 0.00 174.62 173.44 1n4i s SER 52 N 0.65 0.01 -0.42 3.53 1.04 -1.23 0.27 113.70 117.55 1n4i s SER 52 Ca 0.11 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 1n4i s SER 52 Cb -0.13 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.09 1n4i s SER 52 CO 0.02 -0.13 0.27 -0.89 0.98 0.00 0.00 173.24 173.49 1n4i s THR 53 N 1.07 4.33 -0.17 2.02 2.01 -0.75 -3.89 115.64 120.27 1n4i s THR 53 Ca -0.09 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 1n4i s THR 53 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1n4i s THR 53 CO -0.04 -0.49 0.02 0.61 -0.69 0.00 0.00 174.62 174.03 1n4i n GLY 54 N 4.94 -2.51 3.37 4.40 0.00 -1.26 0.99 105.19 115.12 1n4i n GLY 54 Ca -0.10 0.35 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.26 -0.55 -0.60 1.61 1.04 -1.26 -1.86 113.70 110.82 1n4i s SER 55 Ca -0.02 1.14 -0.27 0.00 0.48 0.00 0.00 55.95 57.28 1n4i s SER 55 Cb 0.00 1.67 -0.00 0.00 0.10 0.00 0.00 66.02 67.79 1n4i s SER 55 CO 0.45 -0.23 1.66 -0.60 0.98 0.00 0.00 173.24 175.50 1n4i s ARG 56 N 2.71 2.93 -0.01 4.02 3.52 -1.26 -4.37 118.95 126.48 1n4i s ARG 56 Ca -0.02 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 1n4i s ARG 56 Cb -0.12 -4.28 0.14 0.00 -1.56 0.00 0.00 34.95 29.13 1n4i s ARG 56 CO -0.15 -2.39 1.02 -0.89 -0.81 0.00 0.00 175.30 172.08 1n4i n ILE 57 N 7.01 0.29 -1.18 4.11 2.08 -1.24 -2.91 119.36 127.52 1n4i n ILE 57 Ca 0.16 -0.22 -0.37 0.00 0.56 0.00 0.00 62.75 62.87 1n4i n ILE 57 Cb 0.50 -0.04 0.03 0.00 -0.75 0.00 0.00 39.64 39.39 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 -0.01 -3.73 0.00 4.38 7.64 -1.26 -4.56 113.62 116.08 1n4i n SER 58 Ca 0.05 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1n4i n SER 58 Cb 0.21 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 2.57 3.69 2.27 0.23 0.00 -1.09 -4.57 105.19 108.29 1n4i n GLY 59 Ca 0.06 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.02 2.40 0.00 1.61 -0.04 -1.26 -3.42 135.00 133.26 1n4i n PRO 60 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1n4i n PRO 60 Cb 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.15 1.64 3.67 0.55 0.00 -0.88 -5.08 105.19 108.24 1n4i n GLY 61 Ca 0.51 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.96 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 2.49 2.37 -0.22 0.00 -0.14 -1.26 0.24 119.74 123.21 1n4i s LYS 63 Ca 0.95 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 54.61 1n4i s LYS 63 Cb -1.09 -2.40 0.08 0.00 -1.68 0.00 0.00 37.83 32.75 1n4i s LYS 63 CO 0.62 0.57 0.52 0.42 -0.76 0.00 0.00 175.35 176.71 1n4i s ILE 64 N -1.03 -0.26 -0.26 2.17 1.01 -1.10 -4.57 121.20 117.16 1n4i s ILE 64 Ca 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 1n4i s ILE 64 Cb -0.11 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.67 1n4i s ILE 64 CO 0.08 0.03 0.10 -0.55 0.00 0.00 0.00 174.94 174.60 1n4i s SER 65 N 1.89 3.45 -0.25 3.58 0.15 -1.26 -1.23 113.70 120.03 1n4i s SER 65 Ca -0.08 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.24 1n4i s SER 65 Cb -0.09 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 1n4i s SER 65 CO -0.16 -0.40 0.35 0.41 1.20 0.00 0.00 173.24 174.65 1n4i n THR 66 N 5.08 -7.41 -3.70 6.45 -1.04 -0.97 -3.97 114.28 108.72 1n4i n THR 66 Ca -0.05 0.54 -0.20 0.00 -2.04 0.00 0.00 64.05 62.29 1n4i n THR 66 Cb 0.44 -5.96 -0.18 0.00 -1.82 0.00 0.00 70.33 62.81 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 5.22 4.22 -3.21 0.00 -0.00 -1.25 -0.73 119.36 123.61 1n4i n ILE 68 Ca -0.05 -4.63 -0.30 0.00 -0.00 0.00 0.00 62.75 57.76 1n4i n ILE 68 Cb 0.50 -2.45 -0.04 0.00 -0.00 0.00 0.00 39.64 37.65 1n4i n ILE 68 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1n4i s ILE 69 N 1.80 4.89 -0.29 1.39 1.01 0.75 -1.42 121.20 129.33 1n4i s ILE 69 Ca 0.44 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.54 1n4i s ILE 69 Cb -0.01 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.93 1n4i s ILE 69 CO 0.01 -0.28 0.37 -0.89 0.00 0.00 0.00 174.94 174.15 1n4i s THR 70 N -2.07 -0.56 0.00 2.92 2.01 0.14 -1.81 115.64 116.27 1n4i s THR 70 Ca 0.48 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1n4i s THR 70 Cb -0.11 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1n4i s THR 70 CO 0.26 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1n4i n GLY 71 N 5.34 1.05 2.08 4.40 0.00 0.28 -3.78 105.19 114.56 1n4i n GLY 71 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.77 0.50 3.09 -0.02 0.00 -0.78 -4.18 105.19 103.03 1n4i n GLY 72 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 1.45 0.36 1.61 -7.23 -1.25 -4.31 120.40 109.03 1n4i s VAL 73 Ca 0.00 -0.66 -0.25 0.00 -1.81 0.00 0.00 61.98 59.26 1n4i s VAL 73 Cb 0.00 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 1n4i s VAL 73 CO 0.00 0.42 1.04 -2.16 -0.31 0.00 0.00 175.10 174.09 1n4i s PRO 74 N 0.58 4.33 0.45 4.82 0.04 -1.26 0.28 135.00 144.24 1n4i s PRO 74 Ca -0.16 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1n4i s PRO 74 Cb -0.16 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1n4i s PRO 74 CO 0.05 0.00 0.70 0.00 0.04 0.00 0.00 177.00 177.80 1n4i s ALA 75 N -1.56 3.57 -0.68 8.56 0.00 -0.51 -4.89 121.76 126.25 1n4i s ALA 75 Ca 0.54 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1n4i s ALA 75 Cb -0.23 -2.32 -0.13 0.00 0.00 0.00 0.00 23.12 20.43 1n4i s ALA 75 CO 0.29 -0.33 1.88 -0.35 0.00 0.00 0.00 175.76 177.25 1n4i n PRO 76 N -2.12 1.43 -4.11 0.00 -0.04 -1.26 -4.74 135.00 124.15 1n4i n PRO 76 Ca -0.00 -1.54 -0.35 0.00 -0.04 0.00 0.00 63.50 61.57 1n4i n PRO 76 Cb 0.56 -2.66 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.70 4.91 0.00 3.54 0.15 -1.26 -4.96 113.70 120.77 1n4i s SER 77 Ca 0.48 -0.16 0.19 0.00 0.70 0.00 0.00 55.95 57.16 1n4i s SER 77 Cb 0.12 -1.83 1.05 0.00 -1.71 0.00 0.00 66.02 63.65 1n4i s SER 77 CO 0.08 0.09 1.53 0.00 1.20 0.00 0.00 173.24 176.14 1n4i n ALA 78 N 4.09 2.12 0.02 5.45 0.00 -1.26 -2.53 120.51 128.40 1n4i n ALA 78 Ca -0.17 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.20 1n4i n ALA 78 Cb 0.52 -1.30 -0.10 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 -1.09 2.21 -1.40 0.00 0.00 -1.26 -4.93 120.51 114.04 1n4i n ALA 79 Ca 0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 1n4i n ALA 79 Cb 0.09 -0.82 0.13 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.78 0.37 -3.43 0.00 0.00 -1.26 -4.99 118.16 105.07 1n4i n LYS 81 Ca 0.06 0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 58.25 1n4i n LYS 81 Cb 0.57 -1.27 0.01 0.00 -0.00 0.00 0.00 35.03 34.35 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 -3.03 -6.02 0.00 0.58 2.08 -1.26 -4.96 119.36 106.75 1n4i n ILE 82 Ca -0.27 0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1n4i n ILE 82 Cb 0.77 -4.55 0.00 0.00 -0.75 0.00 0.00 39.64 35.11 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 -1.41 0.00 -2.07 4.38 7.64 -1.26 -4.92 113.62 115.97 1n4i n SER 83 Ca -0.13 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.49 1n4i n SER 83 Cb 0.62 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.90 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 2.89 5.83 3.47 0.23 0.00 -1.26 -4.99 105.19 111.36 1n4i n GLY 84 Ca 0.00 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 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 -3.25 0.00 0.20 0.00 -1.32 -1.26 -5.01 115.64 104.99 1n4i s THR 86 Ca 0.26 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.83 1n4i s THR 86 Cb 0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1n4i s THR 86 CO 0.17 0.00 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.06 1n4i s PHE 87 N -1.80 1.79 0.00 9.09 0.08 -1.26 -4.31 117.98 121.58 1n4i s PHE 87 Ca 0.06 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.66 1n4i s PHE 87 Cb -0.01 -0.85 0.11 0.00 -0.57 0.00 0.00 43.02 41.71 1n4i s PHE 87 CO -0.04 0.38 1.02 0.45 -0.10 0.00 0.00 175.22 176.92 1n4i n SER 88 N -0.15 0.25 -2.99 1.36 2.88 -1.15 -4.84 113.62 108.98 1n4i n SER 88 Ca -0.10 -1.95 -0.14 0.00 -1.33 0.00 0.00 58.87 55.35 1n4i n SER 88 Cb 0.59 -0.21 0.02 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.13 -2.87 0.76 -1.46 0.00 -1.26 -4.57 120.51 111.24 1n4i n ALA 89 Ca 0.01 0.99 0.06 0.00 0.00 0.00 0.00 53.44 54.50 1n4i n ALA 89 Cb 0.81 -3.40 0.36 0.00 0.00 0.00 0.00 19.45 17.22 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77