#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 3.41 0.37 6.12 0.00 -1.26 -4.89 105.19 108.93 1n4i n GLY 2 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.00 0.00 1.61 7.64 -1.26 -5.09 113.62 116.52 1n4i n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1n4i n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -2.90 0.00 -1.04 -1.26 -5.00 114.28 104.08 1n4i n THR 5 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1n4i n THR 5 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1n4i n THR 5 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 6 N 0.00 -4.92 0.00 8.00 4.13 -1.26 0.86 115.26 122.06 1n4i n ASN 6 Ca 0.00 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.73 1n4i n ASN 6 Cb 0.00 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.11 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1n4i n THR 7 N -2.94 0.00 0.00 3.41 -1.04 -1.26 -2.79 114.28 109.65 1n4i n THR 7 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1n4i n THR 7 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1n4i n THR 7 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 8 N 2.49 0.00 0.00 8.00 4.13 -1.15 -4.92 115.26 123.81 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1n4i n SER 9 N 0.00 0.00 0.00 6.41 7.64 0.25 -4.59 113.62 123.33 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 0.43 -3.23 1.43 6.02 -1.26 -4.93 117.38 115.83 1n4i n GLN 10 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1n4i n GLN 10 Cb 0.00 -0.70 0.02 0.00 1.02 0.00 0.00 30.24 30.59 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1n4i n LEU 11 N -1.68 -4.64 -4.36 1.08 7.94 -1.26 -4.73 117.00 109.34 1n4i n LEU 11 Ca 0.00 0.19 -0.41 0.00 -1.11 0.00 0.00 56.01 54.68 1n4i n LEU 11 Cb 0.20 -2.28 0.01 0.00 0.53 0.00 0.00 43.42 41.88 1n4i n LEU 11 CO 0.00 -1.05 -0.24 -0.24 -1.11 0.00 0.00 177.39 174.75 1n4i n SER 12 N -0.06 -2.11 0.11 1.96 2.88 -0.34 -4.72 113.62 111.34 1n4i n SER 12 Ca -0.01 0.82 0.08 0.00 -1.33 0.00 0.00 58.87 58.43 1n4i n SER 12 Cb 0.57 -0.99 0.42 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.10 1.04 1.39 -1.46 0.00 -1.26 -0.22 120.51 118.90 1n4i n ALA 13 Ca 0.11 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1n4i n ALA 13 Cb 0.41 -1.23 0.46 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.03 1.36 -1.24 0.00 5.15 -1.26 -4.88 115.26 112.35 1n4i n ASN 14 Ca -0.01 -1.28 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 1n4i n ASN 14 Cb 0.03 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1n4i n SER 15 N -0.11 0.00 -4.10 1.20 2.88 0.69 -3.80 113.62 110.37 1n4i n SER 15 Ca 0.16 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1n4i n SER 15 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 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 1.90 0.65 -0.18 -1.46 2.20 -0.95 -4.89 119.74 117.01 1n4i s LYS 16 Ca 0.00 -1.20 -0.05 0.00 -0.36 0.00 0.00 55.97 54.36 1n4i s LYS 16 Cb 0.00 0.08 0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1n4i s LYS 16 CO 0.00 -0.08 0.32 0.00 -0.36 0.00 0.00 175.35 175.23 1n4i n GLU 18 N 5.36 0.67 -2.06 0.00 1.02 -1.26 -2.33 120.64 122.04 1n4i n GLU 18 Ca -0.06 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1n4i n GLU 18 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.74 -5.20 -3.88 3.49 4.81 -1.26 -4.87 118.16 112.99 1n4i n LYS 19 Ca 0.18 3.73 -0.08 0.00 -0.87 0.00 0.00 58.31 61.27 1n4i n LYS 19 Cb 0.56 -4.15 -0.01 0.00 0.02 0.00 0.00 35.03 31.44 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 -0.51 -0.07 -0.21 3.14 0.01 -1.21 -4.34 113.70 110.51 1n4i s SER 20 Ca 0.00 -0.89 0.11 0.00 1.31 0.00 0.00 55.95 56.48 1n4i s SER 20 Cb 0.00 0.75 0.42 0.00 0.21 0.00 0.00 66.02 67.40 1n4i s SER 20 CO 0.00 -1.43 1.23 0.41 0.41 0.00 0.00 173.24 173.86 1n4i n THR 21 N -0.48 2.23 -0.27 1.44 -1.04 -0.79 -4.99 114.28 110.38 1n4i n THR 21 Ca -0.05 -3.26 -0.27 0.00 -2.04 0.00 0.00 64.05 58.43 1n4i n THR 21 Cb 0.60 -0.27 0.26 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.11 0.00 -3.53 -4.42 4.77 -1.01 -4.03 117.00 107.67 1n4i n LEU 22 Ca 0.20 -0.81 -0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1n4i n LEU 22 Cb 0.71 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1n4i n LEU 22 CO -0.02 -2.65 0.50 -0.89 -1.33 0.00 0.00 177.39 173.00 1n4i s THR 23 N -2.05 -0.53 -1.51 -5.08 2.01 0.61 -4.60 115.64 104.48 1n4i s THR 23 Ca 0.60 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.54 1n4i s THR 23 Cb -0.10 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.46 1n4i s THR 23 CO 0.50 0.00 0.52 0.59 -0.69 0.00 0.00 174.62 175.54 1n4i n ASN 24 N 4.88 -1.27 -1.79 3.53 4.13 -1.12 -0.04 115.26 123.58 1n4i n ASN 24 Ca -0.12 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.12 1n4i n ASN 24 Cb 0.53 -2.90 0.00 0.00 -1.54 0.00 0.00 39.78 35.86 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 0.00 -1.51 0.00 9.36 -1.15 -4.28 117.16 119.58 1n4i n TYR 26 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 1n4i n TYR 26 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 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 2.64 -3.66 2.97 0.31 -1.26 -4.19 118.33 115.14 1n4i n VAL 27 Ca 0.00 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 1n4i n VAL 27 Cb 0.00 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.03 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 -1.17 -0.78 -1.63 4.52 1.11 -1.24 -1.20 116.67 116.28 1n4i s ASP 28 Ca 0.70 1.29 0.00 0.00 0.18 0.00 0.00 52.55 54.73 1n4i s ASP 28 Cb -0.45 1.18 0.00 0.00 1.07 0.00 0.00 42.92 44.72 1n4i s ASP 28 CO 0.53 -0.22 0.00 0.29 1.18 0.00 0.00 175.17 176.94 1n4i n LYS 29 N 4.12 -1.40 -4.22 8.23 5.02 -1.25 -1.11 118.16 127.54 1n4i n LYS 29 Ca -0.20 0.93 -0.26 0.00 -2.02 0.00 0.00 58.31 56.75 1n4i n LYS 29 Cb 0.57 -5.22 -0.06 0.00 -0.02 0.00 0.00 35.03 30.31 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 -0.82 2.73 0.00 4.39 7.64 -1.26 -2.88 113.62 123.42 1n4i n SER 30 Ca -0.15 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1n4i n SER 30 Cb 0.53 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.01 0.00 -1.18 1.43 2.13 -1.22 -2.24 120.64 118.55 1n4i n GLU 31 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1n4i n GLU 31 Cb 0.54 -0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.18 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 -2.23 -4.09 0.00 6.31 0.31 -0.64 -4.12 118.33 113.87 1n4i n VAL 32 Ca 0.00 1.75 0.00 0.00 -0.01 0.00 0.00 64.34 66.08 1n4i n VAL 32 Cb 0.00 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.51 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 -1.00 -0.15 -1.03 3.52 4.02 -1.18 -4.60 117.16 116.72 1n4i n TYR 33 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 1n4i n TYR 33 Cb 0.02 0.46 0.30 0.00 -0.02 0.00 0.00 39.34 40.11 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n4i n GLY 34 N 1.26 3.77 3.77 2.72 0.00 -1.09 -3.34 105.19 112.28 1n4i n GLY 34 Ca 0.00 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.91 3.41 -0.52 2.61 2.01 0.87 -3.79 115.64 117.32 1n4i s THR 35 Ca 0.49 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.99 1n4i s THR 35 Cb 0.39 -2.98 0.41 0.00 0.01 0.00 0.00 72.50 70.33 1n4i s THR 35 CO 0.11 -0.60 1.29 0.41 -0.69 0.00 0.00 174.62 175.15 1n4i n THR 36 N -3.48 2.62 -1.34 -0.82 -1.04 -1.01 -1.88 114.28 107.33 1n4i n THR 36 Ca 0.09 -4.81 -0.49 0.00 -2.04 0.00 0.00 64.05 56.80 1n4i n THR 36 Cb 0.53 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.65 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 7.33 5.54 -1.30 0.00 2.01 -1.26 0.22 115.64 128.18 1n4i s THR 38 Ca 1.24 -2.41 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 1n4i s THR 38 Cb -1.33 -4.50 0.01 0.00 0.01 0.00 0.00 72.50 66.68 1n4i s THR 38 CO 0.55 -1.08 0.91 0.61 -0.69 0.00 0.00 174.62 174.93 1n4i n GLY 39 N 4.09 -0.42 0.00 4.40 0.00 0.94 -4.20 105.19 110.01 1n4i n GLY 39 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.47 0.06 0.00 1.61 7.64 -1.20 -4.89 113.62 114.37 1n4i n SER 40 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1n4i n SER 40 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1n4i n SER 40 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n4i n ARG 41 N 0.00 -2.45 -1.88 1.43 1.85 -1.26 -2.93 116.66 111.41 1n4i n ARG 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1n4i n ARG 41 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1n4i n ARG 41 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1n4i n PHE 42 N 0.27 0.00 -2.67 2.89 3.01 -1.26 -3.74 117.46 115.96 1n4i n PHE 42 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1n4i n PHE 42 Cb 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.18 -1.38 0.00 4.37 2.03 -1.17 -3.65 116.55 114.57 1n4i n ASP 43 Ca 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1n4i n ASP 43 Cb 0.00 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.43 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 -0.47 0.55 0.00 0.27 0.00 -0.27 -3.33 105.19 101.95 1n4i n GLY 44 Ca -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.16 -0.96 118.33 115.37 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 0.10 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 -1.91 3.34 -1.04 -0.93 -3.38 114.28 110.36 1n4i n THR 46 Ca 0.00 -1.41 -0.30 0.00 -2.04 0.00 0.00 64.05 60.30 1n4i n THR 46 Cb 0.00 1.01 0.04 0.00 -1.82 0.00 0.00 70.33 69.56 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 0.19 3.53 0.00 12.58 2.07 -1.25 -2.63 121.20 135.69 1n4i s ILE 47 Ca 0.20 0.47 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1n4i s ILE 47 Cb 0.36 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.46 1n4i s ILE 47 CO -0.08 -0.64 0.00 0.35 -1.91 0.00 0.00 174.94 172.66 1n4i n THR 48 N -2.98 0.00 -1.19 4.00 -2.24 -1.17 -1.62 114.28 109.09 1n4i n THR 48 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 1n4i n THR 48 Cb 0.57 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.80 -4.67 4.28 -1.04 -1.26 -0.09 114.28 113.29 1n4i n THR 49 Ca 0.00 -1.58 -0.26 0.00 -2.04 0.00 0.00 64.05 60.17 1n4i n THR 49 Cb 0.00 -2.31 -0.14 0.00 -1.82 0.00 0.00 70.33 66.06 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 5.11 2.53 -0.21 8.00 0.15 -1.25 -2.83 113.70 125.19 1n4i s SER 50 Ca 0.58 -0.53 -0.07 0.00 0.70 0.00 0.00 55.95 56.63 1n4i s SER 50 Cb 0.14 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1n4i s SER 50 CO 0.12 0.17 0.07 -0.89 1.20 0.00 0.00 173.24 173.91 1n4i s THR 51 N -0.80 4.60 -0.01 6.45 2.01 0.90 -2.41 115.64 126.38 1n4i s THR 51 Ca 0.08 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1n4i s THR 51 Cb -0.09 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1n4i s THR 51 CO 0.02 0.40 -0.03 -0.94 -0.69 0.00 0.00 174.62 173.37 1n4i s SER 52 N 0.95 0.53 -0.65 3.53 1.04 -1.25 0.27 113.70 118.12 1n4i s SER 52 Ca 0.04 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 1n4i s SER 52 Cb -0.14 -0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.00 1n4i s SER 52 CO 0.03 0.00 0.48 -0.89 0.98 0.00 0.00 173.24 173.84 1n4i s THR 53 N 0.30 3.84 -0.07 2.02 2.01 -0.46 -4.01 115.64 119.27 1n4i s THR 53 Ca -0.03 -3.01 -0.01 0.00 0.31 0.00 0.00 61.69 58.95 1n4i s THR 53 Cb -0.06 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1n4i s THR 53 CO -0.00 -0.90 0.02 0.61 -0.69 0.00 0.00 174.62 173.65 1n4i n GLY 54 N 3.41 -3.28 3.64 4.40 0.00 -1.26 0.17 105.19 112.28 1n4i n GLY 54 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.35 -0.70 -0.49 1.61 1.04 -1.26 -0.84 113.70 112.71 1n4i s SER 55 Ca -0.02 1.12 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 1n4i s SER 55 Cb 0.00 1.28 0.05 0.00 0.10 0.00 0.00 66.02 67.45 1n4i s SER 55 CO 0.19 -0.18 0.64 -0.60 0.98 0.00 0.00 173.24 174.28 1n4i s ARG 56 N 1.45 3.16 -0.01 4.02 3.52 -1.26 -4.35 118.95 125.49 1n4i s ARG 56 Ca -0.09 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 1n4i s ARG 56 Cb -0.04 -4.06 0.06 0.00 -1.56 0.00 0.00 34.95 29.35 1n4i s ARG 56 CO -0.17 -1.18 0.87 -0.89 -0.81 0.00 0.00 175.30 173.13 1n4i n ILE 57 N 5.69 0.14 -0.94 4.11 2.08 -1.25 -2.35 119.36 126.85 1n4i n ILE 57 Ca -0.05 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.86 1n4i n ILE 57 Cb 0.46 -0.16 -0.00 0.00 -0.75 0.00 0.00 39.64 39.18 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 -0.17 -2.09 0.00 4.38 7.64 -1.26 -4.60 113.62 117.51 1n4i n SER 58 Ca 0.02 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1n4i n SER 58 Cb 0.16 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.69 1.75 1.53 0.23 0.00 -1.21 -4.64 105.19 104.53 1n4i n GLY 59 Ca 0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.35 1.32 0.00 1.61 -0.04 -1.25 -3.76 135.00 132.53 1n4i n PRO 60 Ca 0.00 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1n4i n PRO 60 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.69 0.78 3.26 0.55 0.00 -0.38 -5.03 105.19 105.07 1n4i n GLY 61 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.22 0.32 0.24 0.00 2.20 -1.18 -2.20 119.74 115.90 1n4i s LYS 63 Ca 0.53 0.25 0.11 0.00 -0.36 0.00 0.00 55.97 56.49 1n4i s LYS 63 Cb -0.12 -0.65 -0.05 0.00 -1.51 0.00 0.00 37.83 35.50 1n4i s LYS 63 CO 0.68 -0.79 -0.19 0.42 -0.36 0.00 0.00 175.35 175.10 1n4i s ILE 64 N 2.46 2.26 -0.30 5.43 1.01 -1.08 -4.67 121.20 126.31 1n4i s ILE 64 Ca 0.10 -2.26 -0.01 0.00 0.00 0.00 0.00 60.65 58.48 1n4i s ILE 64 Cb -0.15 -2.18 0.19 0.00 0.01 0.00 0.00 42.46 40.34 1n4i s ILE 64 CO -0.21 -0.38 0.70 -0.94 0.00 0.00 0.00 174.94 174.10 1n4i s SER 65 N -3.25 -1.27 -0.31 3.58 1.04 -1.26 -3.02 113.70 109.21 1n4i s SER 65 Ca 0.26 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 1n4i s SER 65 Cb -0.05 1.94 0.01 0.00 0.10 0.00 0.00 66.02 68.03 1n4i s SER 65 CO 0.12 -0.23 0.40 0.41 0.98 0.00 0.00 173.24 174.91 1n4i n THR 66 N 5.40 -7.74 -3.69 2.02 -1.04 -1.13 -3.57 114.28 104.55 1n4i n THR 66 Ca 0.01 0.45 -0.19 0.00 -2.04 0.00 0.00 64.05 62.28 1n4i n THR 66 Cb 0.53 -6.07 -0.17 0.00 -1.82 0.00 0.00 70.33 62.79 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 1.99 5.28 0.54 0.00 1.09 -1.23 -0.07 121.20 128.80 1n4i s ILE 68 Ca 0.02 -2.58 -0.06 0.00 -1.10 0.00 0.00 60.65 56.94 1n4i s ILE 68 Cb -0.12 -4.75 -0.01 0.00 -1.06 0.00 0.00 42.46 36.51 1n4i s ILE 68 CO -0.03 -1.41 0.85 -0.63 -0.10 0.00 0.00 174.94 173.62 1n4i s ILE 69 N 0.95 4.26 -0.34 2.92 1.01 0.76 -0.92 121.20 129.83 1n4i s ILE 69 Ca 0.34 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1n4i s ILE 69 Cb -0.06 -3.65 0.19 0.00 0.01 0.00 0.00 42.46 38.94 1n4i s ILE 69 CO -0.05 -0.66 0.58 -0.89 0.00 0.00 0.00 174.94 173.92 1n4i s THR 70 N -2.88 -0.94 0.00 2.92 2.01 0.14 -1.36 115.64 115.53 1n4i s THR 70 Ca 0.51 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1n4i s THR 70 Cb -0.10 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1n4i s THR 70 CO 0.45 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1n4i n GLY 71 N 4.93 1.14 1.85 4.40 0.00 0.13 -3.80 105.19 113.84 1n4i n GLY 71 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.98 0.48 2.98 -0.02 0.00 -0.02 -4.28 105.19 103.36 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 1.22 0.25 1.61 -7.23 -1.25 -4.25 120.40 108.74 1n4i s VAL 73 Ca 0.00 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 1n4i s VAL 73 Cb 0.00 -1.16 -0.09 0.00 0.56 0.00 0.00 36.38 35.69 1n4i s VAL 73 CO 0.00 0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 174.11 1n4i s PRO 74 N 1.25 4.65 0.81 4.82 0.04 -1.26 0.26 135.00 145.57 1n4i s PRO 74 Ca -0.03 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1n4i s PRO 74 Cb -0.14 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.26 1n4i s PRO 74 CO -0.04 0.20 1.09 0.00 0.04 0.00 0.00 177.00 178.29 1n4i s ALA 75 N -0.92 2.12 -0.80 8.56 0.00 -0.10 -4.85 121.76 125.78 1n4i s ALA 75 Ca 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1n4i s ALA 75 Cb -0.31 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1n4i s ALA 75 CO 0.39 -1.84 2.10 -0.35 0.00 0.00 0.00 175.76 176.06 1n4i n PRO 76 N -3.52 1.94 -3.24 0.00 -0.04 -1.26 -4.80 135.00 124.08 1n4i n PRO 76 Ca 0.07 -1.34 -0.40 0.00 -0.04 0.00 0.00 63.50 61.79 1n4i n PRO 76 Cb 0.56 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 1n4i n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n4i s SER 77 N 3.33 6.41 0.00 3.54 0.01 -1.26 -4.93 113.70 120.80 1n4i s SER 77 Ca 0.38 0.42 0.22 0.00 1.31 0.00 0.00 55.95 58.28 1n4i s SER 77 Cb 0.11 -2.28 1.31 0.00 0.21 0.00 0.00 66.02 65.37 1n4i s SER 77 CO -0.03 -0.32 1.73 0.00 0.41 0.00 0.00 173.24 175.03 1n4i n ALA 78 N 5.58 2.44 0.18 1.44 0.00 -1.26 -2.93 120.51 125.97 1n4i n ALA 78 Ca -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1n4i n ALA 78 Cb 0.50 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.92 2.82 -1.21 0.00 0.00 -1.26 -5.01 120.51 114.93 1n4i n ALA 79 Ca 0.16 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1n4i n ALA 79 Cb 0.08 -0.43 0.14 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.92 0.00 -2.45 0.00 2.85 -1.23 -4.91 118.16 108.50 1n4i n LYS 81 Ca 0.07 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.24 1n4i n LYS 81 Cb 0.56 -0.94 0.01 0.00 -0.65 0.00 0.00 35.03 34.00 1n4i n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n4i n ILE 82 N -0.44 -0.70 0.00 0.58 2.08 -1.26 -4.97 119.36 114.65 1n4i n ILE 82 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1n4i n ILE 82 Cb 0.00 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 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 0.13 0.00 -3.98 4.38 7.64 -1.26 -4.98 113.62 115.54 1n4i n SER 83 Ca -0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.51 1n4i n SER 83 Cb 0.56 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.13 2.75 -0.08 0.23 0.00 -1.26 -5.04 107.32 102.79 1n4i s GLY 84 Ca 0.00 -3.59 -0.31 0.00 0.00 0.00 0.00 44.72 40.82 1n4i s GLY 84 CO 0.00 1.08 1.38 0.00 0.00 0.00 0.00 173.10 175.56 1n4i s THR 86 N -2.06 0.00 0.17 0.00 -1.32 -1.26 -5.04 115.64 106.14 1n4i s THR 86 Ca 0.23 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.33 1n4i s THR 86 Cb 0.04 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1n4i s THR 86 CO -0.04 0.00 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.85 1n4i s PHE 87 N -2.99 1.70 -0.07 9.09 0.08 -1.26 -4.29 117.98 120.25 1n4i s PHE 87 Ca 0.12 -0.53 0.10 0.00 0.12 0.00 0.00 56.93 56.75 1n4i s PHE 87 Cb 0.01 -0.83 0.17 0.00 -0.57 0.00 0.00 43.02 41.79 1n4i s PHE 87 CO -0.01 0.31 1.09 0.43 -0.10 0.00 0.00 175.22 176.94 1n4i n SER 88 N 0.06 1.26 -3.54 1.36 7.64 -0.99 -4.82 113.62 114.59 1n4i n SER 88 Ca -0.11 -2.60 -0.26 0.00 1.01 0.00 0.00 58.87 56.91 1n4i n SER 88 Cb 0.58 -0.33 0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.75 -2.51 0.00 -0.43 0.00 -1.26 -4.61 120.51 110.94 1n4i n ALA 89 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1n4i n ALA 89 Cb 0.68 -4.62 0.00 0.00 0.00 0.00 0.00 19.45 15.51 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77