#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 0.30 0.37 6.12 0.00 -1.26 -4.62 105.19 106.09 1n4i n GLY 2 Ca 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 1n4i n GLY 2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n4i h SER 3 N 0.00 1.02 -1.86 1.61 4.64 -2.02 -3.43 113.55 113.50 1n4i h SER 3 Ca 0.00 -0.02 -0.63 0.00 -0.47 0.00 0.00 61.79 60.67 1n4i h SER 3 Cb 0.00 -0.25 0.12 0.00 -0.31 0.00 0.00 62.40 61.96 1n4i h SER 3 CO 0.00 0.73 -0.30 0.00 -0.87 0.00 0.00 176.83 176.39 1n4i n THR 5 N -0.19 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 106.96 1n4i n THR 5 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1n4i n THR 5 Cb 0.32 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 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 -0.37 0.00 0.00 8.00 0.23 -1.26 -4.76 115.26 117.10 1n4i n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1n4i n ASN 6 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.00 0.00 -0.18 5.53 -1.04 -1.26 0.26 114.28 117.58 1n4i n THR 7 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1n4i n THR 7 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 1n4i n THR 7 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1n4i h ASN 8 N 0.00 -0.03 -3.10 8.00 -0.00 -1.88 -3.47 115.58 115.09 1n4i h ASN 8 Ca 0.00 0.11 -0.10 0.00 -0.00 0.00 0.00 56.30 56.31 1n4i h ASN 8 Cb 0.00 0.15 0.05 0.00 -0.00 0.00 0.00 38.32 38.52 1n4i h ASN 8 CO 0.00 0.00 -0.23 -0.24 -0.00 0.00 0.00 177.43 176.97 1n4i n SER 9 N -5.14 -2.08 -0.05 1.15 2.88 -1.25 -4.97 113.62 104.15 1n4i n SER 9 Ca 0.08 -0.18 -0.05 0.00 -1.33 0.00 0.00 58.87 57.38 1n4i n SER 9 Cb 0.29 -1.86 -0.09 0.00 -0.75 0.00 0.00 64.21 61.81 1n4i n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n GLN 10 N -1.92 2.16 0.00 -1.46 -0.00 -1.26 -5.01 117.38 109.89 1n4i n GLN 10 Ca -0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1n4i n GLN 10 Cb 0.55 -1.28 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 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 -2.40 0.00 -4.02 2.61 7.94 0.90 -4.65 117.00 117.39 1n4i n LEU 11 Ca -0.18 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.36 1n4i n LEU 11 Cb 0.85 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.82 1n4i n LEU 11 CO 0.23 0.00 -1.00 -1.54 -1.11 0.00 0.00 177.39 173.98 1n4i n SER 12 N 0.69 -4.84 0.00 1.96 3.41 0.61 -4.71 113.62 110.74 1n4i n SER 12 Ca 0.00 0.39 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 1n4i n SER 12 Cb 0.00 -0.78 0.21 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.99 1.49 -0.02 7.33 0.00 -1.26 -2.52 120.51 123.54 1n4i n ALA 13 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1n4i n ALA 13 Cb 0.51 -1.15 0.00 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 -1.42 0.04 -3.53 0.00 6.94 -1.26 -5.06 115.26 110.97 1n4i n ASN 14 Ca 0.03 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 1n4i n ASN 14 Cb 0.10 0.62 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 1n4i n ASN 14 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1n4i n SER 15 N -0.62 -0.22 -3.55 0.53 7.64 -1.05 -4.83 113.62 111.52 1n4i n SER 15 Ca 0.00 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 1n4i n SER 15 Cb 0.01 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.47 0.78 0.00 1.43 2.20 -0.22 -4.91 119.74 118.55 1n4i s LYS 16 Ca 0.00 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1n4i s LYS 16 Cb 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1n4i s LYS 16 CO 0.00 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 174.74 1n4i n GLU 18 N -1.93 0.00 -1.94 0.00 -0.58 -1.26 -3.27 120.64 111.66 1n4i n GLU 18 Ca 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1n4i n GLU 18 Cb 0.35 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.21 1n4i n GLU 18 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n4i n LYS 19 N -0.50 4.16 -1.34 3.49 5.02 -1.26 -4.94 118.16 122.79 1n4i n LYS 19 Ca 0.00 -3.22 -0.05 0.00 -2.02 0.00 0.00 58.31 53.02 1n4i n LYS 19 Cb 0.00 -2.75 0.02 0.00 -0.02 0.00 0.00 35.03 32.28 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1n4i n SER 20 N 2.70 0.44 -0.95 4.39 3.41 -1.20 -4.68 113.62 117.72 1n4i n SER 20 Ca 0.60 -1.33 0.08 0.00 -0.26 0.00 0.00 58.87 57.96 1n4i n SER 20 Cb 0.27 -0.12 0.23 0.00 -0.26 0.00 0.00 64.21 64.34 1n4i n SER 20 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4i n THR 21 N -1.43 1.11 -0.90 6.66 -2.24 0.20 -4.92 114.28 112.76 1n4i n THR 21 Ca 0.04 -1.05 -0.32 0.00 -2.27 0.00 0.00 64.05 60.44 1n4i n THR 21 Cb 0.14 0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1n4i n THR 21 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1n4i n LEU 22 N 0.89 -5.43 -3.61 3.22 7.94 0.28 -4.28 117.00 116.00 1n4i n LEU 22 Ca 0.17 0.16 -0.02 0.00 -1.11 0.00 0.00 56.01 55.21 1n4i n LEU 22 Cb 0.54 -0.68 -0.05 0.00 0.53 0.00 0.00 43.42 43.76 1n4i n LEU 22 CO 0.12 -5.44 0.38 -0.89 -1.11 0.00 0.00 177.39 170.45 1n4i s THR 23 N -1.79 -0.56 -1.06 1.96 2.01 0.64 -4.82 115.64 112.02 1n4i s THR 23 Ca 0.36 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1n4i s THR 23 Cb -0.16 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1n4i s THR 23 CO 0.74 0.00 0.87 0.59 -0.69 0.00 0.00 174.62 176.13 1n4i n ASN 24 N 4.90 -6.27 0.00 3.53 4.13 0.14 -2.07 115.26 119.63 1n4i n ASN 24 Ca -0.14 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1n4i n ASN 24 Cb 0.53 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.18 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 -3.32 -2.07 0.00 4.02 -1.24 -4.38 117.16 110.16 1n4i n TYR 26 Ca 0.00 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.73 1n4i n TYR 26 Cb 0.00 2.18 0.00 0.00 -0.02 0.00 0.00 39.34 41.50 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1n4i n VAL 27 N -3.10-12.59 -0.02 -0.72 0.31 -1.26 -0.07 118.33 100.88 1n4i n VAL 27 Ca 0.00 3.20 0.00 0.00 -0.01 0.00 0.00 64.34 67.53 1n4i n VAL 27 Cb 0.00 -5.15 -0.06 0.00 -0.91 0.00 0.00 33.84 27.72 1n4i n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n4i n ASP 28 N 1.94 3.14 -2.71 4.52 9.92 -1.22 0.23 116.55 132.37 1n4i n ASP 28 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1n4i n ASP 28 Cb 0.00 1.05 0.09 0.00 -0.64 0.00 0.00 41.12 41.63 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1n4i n LYS 29 N -2.01 0.86 -4.02 -1.24 5.02 -1.26 -4.39 118.16 111.11 1n4i n LYS 29 Ca -0.07 -1.68 -0.08 0.00 -2.02 0.00 0.00 58.31 54.46 1n4i n LYS 29 Cb 0.46 -0.79 -0.11 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.05 0.35 -0.27 4.39 0.01 -1.26 0.17 113.70 116.04 1n4i s SER 30 Ca 0.21 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1n4i s SER 30 Cb 0.29 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.70 1n4i s SER 30 CO -0.08 -0.40 -0.05 -0.70 0.41 0.00 0.00 173.24 172.42 1n4i s GLU 31 N -2.33 2.56 0.24 12.44 -6.30 -1.18 -1.06 118.70 123.08 1n4i s GLU 31 Ca -0.08 -1.16 0.07 0.00 -2.50 0.00 0.00 54.97 51.30 1n4i s GLU 31 Cb -0.04 -3.04 -0.04 0.00 0.00 0.00 0.00 34.13 31.01 1n4i s GLU 31 CO -0.04 -0.52 0.16 0.08 0.02 0.00 0.00 175.26 174.96 1n4i s VAL 32 N 1.26 4.31 0.00 3.70 1.01 -1.13 -2.17 120.40 127.38 1n4i s VAL 32 Ca -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1n4i s VAL 32 Cb -0.18 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1n4i s VAL 32 CO -0.03 -0.31 0.00 -1.22 0.00 0.00 0.00 175.10 173.54 1n4i n TYR 33 N -0.99 0.00 -1.67 5.22 4.02 -1.22 -4.26 117.16 118.26 1n4i n TYR 33 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1n4i n TYR 33 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 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 2.13 -0.37 3.65 2.72 0.00 -1.20 -3.41 105.19 108.71 1n4i n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.26 -0.04 2.61 2.01 -0.89 -2.84 115.64 118.75 1n4i s THR 35 Ca 0.00 0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.19 1n4i s THR 35 Cb 0.00 -2.21 -0.16 0.00 0.01 0.00 0.00 72.50 70.15 1n4i s THR 35 CO 0.00 -0.11 0.19 0.41 -0.69 0.00 0.00 174.62 174.42 1n4i n THR 36 N -4.25 0.18 -3.41 -0.82 -1.04 -0.44 0.98 114.28 105.48 1n4i n THR 36 Ca 0.09 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.48 1n4i n THR 36 Cb 0.53 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.07 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 -0.03 3.37 -0.95 0.00 -1.04 -1.18 -2.25 114.28 112.21 1n4i n THR 38 Ca -0.06 -1.94 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 1n4i n THR 38 Cb 0.64 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 3.34 -0.00 0.00 3.41 0.00 -0.88 -4.07 105.19 106.99 1n4i n GLY 39 Ca 0.59 -0.36 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 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 40 N -0.50 0.00 -3.56 1.61 7.64 -1.05 -4.09 113.62 113.67 1n4i n SER 40 Ca 0.00 -0.18 -0.07 0.00 1.01 0.00 0.00 58.87 59.63 1n4i n SER 40 Cb 0.19 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.47 0.87 0.00 1.43 1.70 -1.26 -3.73 118.95 118.43 1n4i s ARG 41 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1n4i s ARG 41 Cb 0.00 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1n4i s ARG 41 CO 0.00 -0.39 0.00 1.19 -1.08 0.00 0.00 175.30 175.02 1n4i n PHE 42 N -0.29 0.00 0.00 5.89 3.72 -1.26 -3.79 117.46 121.73 1n4i n PHE 42 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1n4i n PHE 42 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 1n4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n4i n ASP 43 N -0.28 0.00 0.00 4.37 -0.08 -1.26 -3.40 116.55 115.90 1n4i n ASP 43 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1n4i n ASP 43 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 0.61 0.00 0.27 0.00 0.46 -4.09 105.19 102.44 1n4i n GLY 44 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.72 1.61 0.24 0.93 -1.61 118.33 116.78 1n4i n VAL 45 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 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 -2.19 3.34 -1.04 0.35 -3.10 114.28 111.65 1n4i n THR 46 Ca 0.00 -1.45 -0.28 0.00 -2.04 0.00 0.00 64.05 60.29 1n4i n THR 46 Cb 0.00 1.30 0.04 0.00 -1.82 0.00 0.00 70.33 69.85 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 0.23 3.38 0.00 12.58 2.07 -0.92 -2.71 121.20 135.84 1n4i s ILE 47 Ca 0.22 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 1n4i s ILE 47 Cb 0.32 -3.39 0.00 0.00 0.13 0.00 0.00 42.46 39.52 1n4i s ILE 47 CO -0.07 -0.45 0.00 0.35 -1.91 0.00 0.00 174.94 172.86 1n4i n THR 48 N -2.79 0.00 -1.63 4.00 -2.24 -0.57 -3.40 114.28 107.64 1n4i n THR 48 Ca 0.06 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.34 1n4i n THR 48 Cb 0.58 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.02 -3.59 4.28 -1.04 -1.26 -2.10 114.28 110.59 1n4i n THR 49 Ca 0.00 -0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1n4i n THR 49 Cb 0.00 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 67.34 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 0.84 -0.21 -0.06 8.00 0.15 -1.13 -0.07 113.70 121.23 1n4i s SER 50 Ca 0.83 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 57.49 1n4i s SER 50 Cb -0.84 0.28 0.21 0.00 -1.71 0.00 0.00 66.02 63.97 1n4i s SER 50 CO 0.44 -0.48 1.15 0.41 1.20 0.00 0.00 173.24 175.96 1n4i n THR 51 N -0.27 1.41 -1.18 6.45 -1.04 -1.21 -1.33 114.28 117.11 1n4i n THR 51 Ca -0.05 -1.45 -0.44 0.00 -2.04 0.00 0.00 64.05 60.06 1n4i n THR 51 Cb 0.61 0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 69.27 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 -0.54 -0.40 -3.89 8.00 3.41 -1.21 -4.28 113.62 114.71 1n4i n SER 52 Ca 0.10 0.93 -0.30 0.00 -0.26 0.00 0.00 58.87 59.33 1n4i n SER 52 Cb 0.48 -0.75 -0.16 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 -0.32 1.37 -0.35 6.66 2.01 0.86 -3.13 115.64 122.74 1n4i s THR 53 Ca 0.65 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1n4i s THR 53 Cb -0.92 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1n4i s THR 53 CO 0.46 -0.24 0.46 0.61 -0.69 0.00 0.00 174.62 175.22 1n4i n GLY 54 N 4.71 -1.15 3.57 4.40 0.00 -1.26 0.48 105.19 115.94 1n4i n GLY 54 Ca -0.09 0.87 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.28 -0.89 -0.63 1.61 1.04 -1.26 -0.22 113.70 111.08 1n4i s SER 55 Ca 0.17 1.41 -0.28 0.00 0.48 0.00 0.00 55.95 57.73 1n4i s SER 55 Cb -0.05 1.48 0.02 0.00 0.10 0.00 0.00 66.02 67.57 1n4i s SER 55 CO 0.58 -0.23 1.31 -0.60 0.98 0.00 0.00 173.24 175.28 1n4i s ARG 56 N 1.91 3.31 -0.07 4.02 3.52 -1.26 -4.32 118.95 126.05 1n4i s ARG 56 Ca -0.09 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.76 1n4i s ARG 56 Cb -0.07 -4.11 0.36 0.00 -1.56 0.00 0.00 34.95 29.57 1n4i s ARG 56 CO -0.18 -1.95 1.16 -0.89 -0.81 0.00 0.00 175.30 172.62 1n4i n ILE 57 N 6.65 1.02 -0.83 4.11 -0.00 -1.25 -2.56 119.36 126.51 1n4i n ILE 57 Ca 0.08 -0.60 -0.33 0.00 -0.00 0.00 0.00 62.75 61.90 1n4i n ILE 57 Cb 0.49 -0.17 0.11 0.00 -0.00 0.00 0.00 39.64 40.07 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 0.38 -2.33 0.00 4.38 7.64 -1.26 -4.64 113.62 117.80 1n4i n SER 58 Ca 0.13 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1n4i n SER 58 Cb 0.56 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.64 2.46 2.25 0.23 0.00 -1.22 -4.56 105.19 105.99 1n4i n GLY 59 Ca 0.06 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.04 2.12 0.00 1.61 -0.04 -1.26 -3.69 135.00 132.70 1n4i n PRO 60 Ca 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1n4i n PRO 60 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.03 1.53 3.41 0.55 0.00 -0.64 -4.99 105.19 108.10 1n4i n GLY 61 Ca 0.45 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 46.00 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 7.90 3.59 -0.13 0.00 2.20 -1.24 0.13 119.74 132.20 1n4i s LYS 63 Ca 1.29 -0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 56.61 1n4i s LYS 63 Cb -1.32 -3.03 0.05 0.00 -1.51 0.00 0.00 37.83 32.02 1n4i s LYS 63 CO 0.54 0.61 0.51 0.42 -0.36 0.00 0.00 175.35 177.07 1n4i s ILE 64 N -1.39 0.01 -0.21 5.43 1.01 -1.10 -4.78 121.20 120.17 1n4i s ILE 64 Ca 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1n4i s ILE 64 Cb -0.13 -0.76 0.07 0.00 0.01 0.00 0.00 42.46 41.65 1n4i s ILE 64 CO 0.19 -0.06 0.07 -0.44 0.00 0.00 0.00 174.94 174.70 1n4i s SER 65 N -0.35 2.94 -0.44 3.58 0.01 -1.26 -1.52 113.70 116.66 1n4i s SER 65 Ca -0.05 -0.90 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 1n4i s SER 65 Cb -0.03 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1n4i s SER 65 CO 0.03 -0.34 0.61 0.41 0.41 0.00 0.00 173.24 174.36 1n4i n THR 66 N 5.12-10.38 -3.75 1.44 -1.04 0.90 -3.67 114.28 102.89 1n4i n THR 66 Ca -0.07 0.78 -0.24 0.00 -2.04 0.00 0.00 64.05 62.48 1n4i n THR 66 Cb 0.47 -6.93 -0.17 0.00 -1.82 0.00 0.00 70.33 61.88 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 1.96 3.66 0.21 0.00 -1.09 -1.26 -3.35 121.20 121.32 1n4i s ILE 68 Ca 0.04 0.45 0.10 0.00 -2.23 0.00 0.00 60.65 59.00 1n4i s ILE 68 Cb -0.13 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.18 1n4i s ILE 68 CO -0.06 -1.40 -0.10 -0.63 -1.23 0.00 0.00 174.94 171.52 1n4i s ILE 69 N 6.64 3.09 -0.29 2.92 1.01 -1.26 0.27 121.20 133.58 1n4i s ILE 69 Ca 0.49 -1.81 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1n4i s ILE 69 Cb -0.10 -2.56 0.20 0.00 0.01 0.00 0.00 42.46 40.01 1n4i s ILE 69 CO 0.20 -0.18 0.59 -0.89 0.00 0.00 0.00 174.94 174.66 1n4i s THR 70 N -1.88 -1.00 0.00 2.92 2.01 0.10 0.29 115.64 118.09 1n4i s THR 70 Ca 0.26 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1n4i s THR 70 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1n4i s THR 70 CO 0.15 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1n4i n GLY 71 N 5.42 0.92 1.78 4.40 0.00 0.18 -3.72 105.19 114.18 1n4i n GLY 71 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.63 0.48 3.08 -0.02 0.00 -0.66 -3.54 105.19 102.89 1n4i n GLY 72 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 1.26 0.35 1.61 -7.23 -1.24 -4.42 120.40 108.72 1n4i s VAL 73 Ca 0.00 -0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 59.36 1n4i s VAL 73 Cb 0.00 -1.11 -0.10 0.00 0.56 0.00 0.00 36.38 35.73 1n4i s VAL 73 CO 0.00 0.37 0.89 -2.16 -0.31 0.00 0.00 175.10 173.90 1n4i s PRO 74 N 0.34 4.34 0.00 4.82 0.04 -1.26 0.02 135.00 143.30 1n4i s PRO 74 Ca -0.09 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1n4i s PRO 74 Cb -0.13 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1n4i s PRO 74 CO 0.03 0.17 0.00 0.00 0.04 0.00 0.00 177.00 177.24 1n4i n ALA 75 N 0.04 0.00 1.56 8.56 0.00 0.78 -4.79 120.51 126.66 1n4i n ALA 75 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1n4i n ALA 75 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 1n4i n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n4i n PRO 76 N 0.00 0.78 -4.09 0.00 -0.04 -1.26 -4.87 135.00 125.52 1n4i n PRO 76 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1n4i n PRO 76 Cb 0.00 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1n4i n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1n4i n SER 77 N -0.53 0.13 0.15 3.54 3.41 -1.26 -4.74 113.62 114.33 1n4i n SER 77 Ca 0.01 -1.12 0.18 0.00 -0.26 0.00 0.00 58.87 57.69 1n4i n SER 77 Cb 0.00 -2.48 0.70 0.00 -0.26 0.00 0.00 64.21 62.18 1n4i n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i h ALA 78 N 0.82 1.95 -0.04 7.33 0.00 -1.91 -2.91 119.26 124.52 1n4i h ALA 78 Ca -0.64 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.08 1n4i h ALA 78 Cb 1.38 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1n4i h ALA 78 CO 0.65 -0.68 -0.34 0.00 0.00 0.00 0.00 179.25 178.88 1n4i n ALA 79 N -2.14 2.75 -2.53 0.00 0.00 -1.26 -5.14 120.51 112.19 1n4i n ALA 79 Ca 0.06 -1.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.12 1n4i n ALA 79 Cb 0.66 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 1n4i n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i s LYS 81 N -3.89 2.37 -0.42 0.00 0.00 -1.24 -4.98 119.74 111.58 1n4i s LYS 81 Ca 0.38 -1.18 0.08 0.00 0.00 0.00 0.00 55.97 55.26 1n4i s LYS 81 Cb -0.04 -2.56 0.36 0.00 0.00 0.00 0.00 37.83 35.59 1n4i s LYS 81 CO 0.24 -0.80 1.27 -0.89 0.00 0.00 0.00 175.35 175.18 1n4i n ILE 82 N -2.30 0.00 0.00 3.79 2.08 -1.26 -4.88 119.36 116.78 1n4i n ILE 82 Ca 0.11 -1.50 0.00 0.00 0.56 0.00 0.00 62.75 61.93 1n4i n ILE 82 Cb 0.60 1.18 0.00 0.00 -0.75 0.00 0.00 39.64 40.67 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 -0.26 0.00 -4.56 4.38 2.88 -1.26 -4.91 113.62 109.90 1n4i n SER 83 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1n4i n SER 83 Cb 0.80 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.22 1n4i n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1n4i s GLY 84 N 0.00 1.05 0.31 0.46 0.00 -1.26 -4.89 107.32 102.99 1n4i s GLY 84 Ca 0.00 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.52 1n4i s GLY 84 CO 0.00 2.80 0.87 0.00 0.00 0.00 0.00 173.10 176.77 1n4i s THR 86 N -2.47 0.00 0.36 0.00 -1.32 -1.26 -5.09 115.64 105.86 1n4i s THR 86 Ca 0.17 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.73 1n4i s THR 86 Cb -0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 1n4i s THR 86 CO 0.09 0.00 0.02 -0.36 -2.21 0.00 0.00 174.62 172.16 1n4i s PHE 87 N -0.98 2.53 0.00 9.09 0.08 -1.25 -4.27 117.98 123.17 1n4i s PHE 87 Ca 0.07 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.67 1n4i s PHE 87 Cb -0.01 -1.60 0.10 0.00 -0.57 0.00 0.00 43.02 40.94 1n4i s PHE 87 CO -0.07 0.45 0.91 0.45 -0.10 0.00 0.00 175.22 176.85 1n4i n SER 88 N -0.97 0.06 -3.73 1.36 2.88 -1.06 -4.79 113.62 107.37 1n4i n SER 88 Ca -0.04 -1.74 -0.31 0.00 -1.33 0.00 0.00 58.87 55.45 1n4i n SER 88 Cb 0.64 -0.09 0.03 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.11 -2.61 0.31 -1.46 0.00 -1.23 -4.42 120.51 111.21 1n4i n ALA 89 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1n4i n ALA 89 Cb 0.75 -2.98 0.15 0.00 0.00 0.00 0.00 19.45 17.36 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77