#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 0.24 2.64 0.27 0.00 -1.26 -5.04 105.19 102.03 1n4i n GLY 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1n4i n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4i n SER 3 N -0.98 -1.63 -0.13 1.61 3.41 -1.26 -5.00 113.62 109.65 1n4i n SER 3 Ca 0.00 -2.24 -0.05 0.00 -0.26 0.00 0.00 58.87 56.32 1n4i n SER 3 Cb 0.00 0.89 0.02 0.00 -0.26 0.00 0.00 64.21 64.86 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n THR 5 N -5.35 0.00 -3.08 0.00 -1.04 -1.26 -3.58 114.28 99.98 1n4i n THR 5 Ca 0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.87 1n4i n THR 5 Cb 0.26 -0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.01 -2.57 -2.33 8.00 2.85 -1.26 -1.15 115.26 118.80 1n4i n ASN 6 Ca 0.00 -0.11 -0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1n4i n ASN 6 Cb 0.00 -2.21 0.00 0.00 1.24 0.00 0.00 39.78 38.81 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1n4i n THR 7 N -3.38 -5.89 -2.24 -0.44 -1.04 -1.23 -1.88 114.28 98.18 1n4i n THR 7 Ca -0.01 -0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 1n4i n THR 7 Cb 0.53 -5.33 -0.01 0.00 -1.82 0.00 0.00 70.33 63.70 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 -1.39 -4.24 0.00 8.00 3.02 -0.38 -3.90 115.26 116.36 1n4i n ASN 8 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1n4i n ASN 8 Cb 0.50 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n4i n SER 9 N 0.65 2.84 0.00 6.41 3.41 -0.30 -4.37 113.62 122.26 1n4i n SER 9 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1n4i n SER 9 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.00 0.00 -3.33 4.33 3.00 -1.20 -4.98 117.38 115.21 1n4i n GLN 10 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1n4i n GLN 10 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 30.24 29.74 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 -2.61 -3.28 -4.15 1.08 7.94 0.11 -4.80 117.00 111.28 1n4i n LEU 11 Ca 0.00 0.15 -0.35 0.00 -1.11 0.00 0.00 56.01 54.70 1n4i n LEU 11 Cb 0.35 -1.69 0.09 0.00 0.53 0.00 0.00 43.42 42.69 1n4i n LEU 11 CO 0.00 -0.79 -1.11 -1.54 -1.11 0.00 0.00 177.39 172.83 1n4i n SER 12 N 0.50 -3.52 0.10 1.96 3.41 -0.07 -4.80 113.62 111.20 1n4i n SER 12 Ca -0.04 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 1n4i n SER 12 Cb 0.58 -0.83 0.45 0.00 -0.26 0.00 0.00 64.21 64.15 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 -3.46 1.94 1.10 7.33 0.00 -1.26 -2.62 120.51 123.55 1n4i n ALA 13 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1n4i n ALA 13 Cb 0.62 -1.41 0.19 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.14 1.17 -3.25 0.00 5.15 -1.26 -4.48 115.26 110.45 1n4i n ASN 14 Ca 0.04 -0.94 -0.20 0.00 -0.60 0.00 0.00 54.58 52.88 1n4i n ASN 14 Cb 0.31 0.36 0.16 0.00 -0.53 0.00 0.00 39.78 40.08 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 -0.78 -0.99 -3.77 1.20 2.88 -1.08 -4.20 113.62 106.89 1n4i n SER 15 Ca 0.09 -1.11 -0.14 0.00 -1.33 0.00 0.00 58.87 56.38 1n4i n SER 15 Cb 0.37 -0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 63.00 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 -4.80 0.05 0.07 -1.46 2.20 -0.95 -3.16 119.74 111.68 1n4i s LYS 16 Ca 0.49 0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1n4i s LYS 16 Cb -0.03 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1n4i s LYS 16 CO 0.36 -0.15 -0.04 0.00 -0.36 0.00 0.00 175.35 175.17 1n4i n GLU 18 N 0.08 0.00 -3.40 0.00 2.13 -1.26 -4.80 120.64 113.39 1n4i n GLU 18 Ca -0.13 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.37 1n4i n GLU 18 Cb 0.61 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.26 1n4i n GLU 18 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1n4i n LYS 19 N -0.14 2.91 -0.83 5.31 5.02 -1.26 -5.04 118.16 124.13 1n4i n LYS 19 Ca 0.00 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.68 1n4i n LYS 19 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1n4i n LYS 19 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1n4i n SER 20 N 1.21 1.79 -2.96 4.39 7.64 -1.16 -4.49 113.62 120.05 1n4i n SER 20 Ca 0.27 -0.44 -0.14 0.00 1.01 0.00 0.00 58.87 59.58 1n4i n SER 20 Cb 0.38 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1n4i n SER 20 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1n4i n THR 21 N -0.05 -0.09 -1.58 0.44 5.66 -1.11 -4.99 114.28 112.56 1n4i n THR 21 Ca 0.00 -3.01 -0.04 0.00 -3.05 0.00 0.00 64.05 57.95 1n4i n THR 21 Cb 0.00 0.60 0.03 0.00 -1.55 0.00 0.00 70.33 69.41 1n4i n THR 21 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1n4i n LEU 22 N 0.37 0.00 -3.15 1.09 4.77 -1.22 -4.15 117.00 114.70 1n4i n LEU 22 Ca 0.15 -0.28 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1n4i n LEU 22 Cb 0.68 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1n4i n LEU 22 CO 0.12 -0.63 0.25 -0.89 -1.33 0.00 0.00 177.39 174.91 1n4i s THR 23 N -1.04 -0.76 0.19 -5.08 2.01 -0.78 -4.89 115.64 105.29 1n4i s THR 23 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1n4i s THR 23 Cb -0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1n4i s THR 23 CO 0.08 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.60 1n4i n ASN 24 N 5.34 -8.95 0.00 3.53 5.03 -0.79 -0.76 115.26 118.67 1n4i n ASN 24 Ca 0.05 1.47 0.00 0.00 0.87 0.00 0.00 54.58 56.97 1n4i n ASN 24 Cb 0.55 -5.11 0.00 0.00 -1.02 0.00 0.00 39.78 34.20 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 -0.45 -2.83 0.00 4.19 -1.25 -3.22 117.16 113.59 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 0.10 0.00 0.00 0.49 0.00 0.00 39.34 39.93 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 -1.70 -0.85 0.00 2.97 0.31 -1.26 0.05 118.33 117.85 1n4i n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n4i n VAL 27 Cb 0.00 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 1n4i n VAL 27 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1n4i n ASP 28 N 2.42 0.00 -4.58 4.52 -0.08 -0.53 -0.89 116.55 117.41 1n4i n ASP 28 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 1n4i n ASP 28 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1n4i n ASP 28 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1n4i s LYS 29 N 1.77 1.48 0.09 -0.67 1.02 -1.26 -3.35 119.74 118.82 1n4i s LYS 29 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 1n4i s LYS 29 Cb 0.00 -5.00 0.01 0.00 -0.52 0.00 0.00 37.83 32.32 1n4i s LYS 29 CO 0.00 -5.07 0.25 -1.12 -0.92 0.00 0.00 175.35 168.49 1n4i s SER 30 N 8.48 0.01 -0.22 2.83 0.01 -1.26 0.68 113.70 124.24 1n4i s SER 30 Ca 0.80 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.55 1n4i s SER 30 Cb -0.05 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.58 1n4i s SER 30 CO 0.15 -0.75 -0.14 -1.61 0.41 0.00 0.00 173.24 171.30 1n4i s GLU 31 N -3.73 2.70 0.22 12.44 2.02 -0.89 -2.23 118.70 129.22 1n4i s GLU 31 Ca 0.04 -1.04 0.10 0.00 0.02 0.00 0.00 54.97 54.09 1n4i s GLU 31 Cb 0.04 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1n4i s GLU 31 CO -0.11 -0.37 -0.15 0.08 0.02 0.00 0.00 175.26 174.73 1n4i s VAL 32 N 1.23 2.80 0.00 2.63 1.01 -1.20 -0.33 120.40 126.55 1n4i s VAL 32 Ca -0.01 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1n4i s VAL 32 Cb -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1n4i s VAL 32 CO -0.09 -0.21 0.00 -1.22 0.00 0.00 0.00 175.10 173.58 1n4i n TYR 33 N -0.15 0.00 -2.05 5.22 4.02 -0.96 -4.56 117.16 118.68 1n4i n TYR 33 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.54 1n4i n TYR 33 Cb 0.57 0.31 0.02 0.00 -0.02 0.00 0.00 39.34 40.22 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 1.95 6.29 3.95 2.72 0.00 0.71 -2.96 105.19 117.85 1n4i n GLY 34 Ca 0.00 -2.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.11 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 -4.78 2.28 -0.28 2.61 2.01 -0.13 -3.64 115.64 113.71 1n4i s THR 35 Ca 0.51 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.24 1n4i s THR 35 Cb 0.42 -2.92 -0.11 0.00 0.01 0.00 0.00 72.50 69.90 1n4i s THR 35 CO -0.01 0.00 0.31 0.41 -0.69 0.00 0.00 174.62 174.64 1n4i n THR 36 N -2.91 0.00 -3.86 -0.82 -1.04 -1.09 -2.77 114.28 101.80 1n4i n THR 36 Ca 0.10 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.05 61.52 1n4i n THR 36 Cb 0.60 0.78 0.01 0.00 -1.82 0.00 0.00 70.33 69.91 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 -3.54 1.08 -3.36 0.00 -1.04 -1.25 -2.83 114.28 103.36 1n4i n THR 38 Ca -0.14 -1.10 -0.24 0.00 -2.04 0.00 0.00 64.05 60.53 1n4i n THR 38 Cb 0.48 -2.11 0.01 0.00 -1.82 0.00 0.00 70.33 66.89 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 5.76 -0.50 0.00 3.41 0.00 0.06 -3.08 105.19 110.85 1n4i n GLY 39 Ca 0.44 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.41 0.00 0.00 1.61 3.41 -1.22 -4.81 113.62 110.19 1n4i n SER 40 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1n4i n SER 40 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1n4i n SER 40 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1n4i n ARG 41 N 0.00 0.00 -4.60 4.33 0.63 -1.26 -3.86 116.66 111.90 1n4i n ARG 41 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1n4i n ARG 41 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1n4i n ARG 41 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1n4i s PHE 42 N -2.00 2.49 -0.50 -0.14 0.08 -1.26 -2.74 117.98 113.91 1n4i s PHE 42 Ca 0.00 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 56.48 1n4i s PHE 42 Cb 0.00 -1.68 0.22 0.00 -0.57 0.00 0.00 43.02 40.99 1n4i s PHE 42 CO 0.00 0.48 0.83 -3.47 -0.10 0.00 0.00 175.22 172.95 1n4i n ASP 43 N -0.93 -3.05 -0.17 1.36 -0.08 -1.26 -1.45 116.55 110.98 1n4i n ASP 43 Ca -0.05 -3.16 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1n4i n ASP 43 Cb 0.66 1.76 0.00 0.00 2.34 0.00 0.00 41.12 45.89 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 2.10 0.50 0.00 0.27 0.00 0.21 -0.79 105.19 107.48 1n4i n GLY 44 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.18 0.00 -2.73 1.61 0.24 0.37 0.16 118.33 117.81 1n4i n VAL 45 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1n4i n VAL 45 Cb 0.09 0.00 0.09 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 0.00 -0.00 -1.34 3.34 -1.04 0.95 -2.11 114.28 114.09 1n4i n THR 46 Ca 0.00 -1.51 -0.29 0.00 -2.04 0.00 0.00 64.05 60.21 1n4i n THR 46 Cb 0.00 1.42 0.19 0.00 -1.82 0.00 0.00 70.33 70.12 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 0.25 1.86 0.00 12.58 2.07 0.56 -3.80 121.20 134.71 1n4i s ILE 47 Ca 0.22 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 1n4i s ILE 47 Cb 0.31 -2.63 0.00 0.00 0.13 0.00 0.00 42.46 40.27 1n4i s ILE 47 CO -0.06 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.32 1n4i n THR 48 N -4.22 0.00 -3.08 4.00 -2.24 -0.70 -3.71 114.28 104.33 1n4i n THR 48 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 1n4i n THR 48 Cb 0.59 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 3.87 -4.38 4.28 -1.04 -1.26 0.26 114.28 116.01 1n4i n THR 49 Ca 0.00 -5.61 -0.33 0.00 -2.04 0.00 0.00 64.05 56.07 1n4i n THR 49 Cb 0.00 -1.83 -0.10 0.00 -1.82 0.00 0.00 70.33 66.58 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 -2.38 4.96 -0.16 8.00 0.15 -1.24 -3.19 113.70 119.84 1n4i s SER 50 Ca 0.40 -0.02 0.08 0.00 0.70 0.00 0.00 55.95 57.11 1n4i s SER 50 Cb 0.16 -1.27 0.48 0.00 -1.71 0.00 0.00 66.02 63.68 1n4i s SER 50 CO -0.03 0.31 1.28 0.41 1.20 0.00 0.00 173.24 176.41 1n4i n THR 51 N 1.65 1.73 -1.40 6.45 -1.04 -1.00 -2.68 114.28 117.98 1n4i n THR 51 Ca -0.16 -0.87 -0.55 0.00 -2.04 0.00 0.00 64.05 60.43 1n4i n THR 51 Cb 0.53 -0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 68.55 1n4i n THR 51 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1n4i n SER 52 N 0.27 0.21 -4.16 8.00 2.88 0.36 -4.66 113.62 116.53 1n4i n SER 52 Ca 0.19 1.06 -0.37 0.00 -1.33 0.00 0.00 58.87 58.41 1n4i n SER 52 Cb 0.86 -0.83 -0.11 0.00 -0.75 0.00 0.00 64.21 63.39 1n4i n SER 52 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n4i s THR 53 N 0.54 3.54 -0.47 2.46 2.01 -1.12 -3.75 115.64 118.84 1n4i s THR 53 Ca 0.85 -1.87 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1n4i s THR 53 Cb -1.19 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1n4i s THR 53 CO 0.56 -0.63 0.59 0.61 -0.69 0.00 0.00 174.62 175.06 1n4i n GLY 54 N 4.69 -1.26 3.11 4.40 0.00 -1.18 0.79 105.19 115.75 1n4i n GLY 54 Ca -0.05 1.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.61 0.01 -0.54 1.61 1.04 -0.54 -2.71 113.70 109.96 1n4i s SER 55 Ca 0.18 0.73 -0.27 0.00 0.48 0.00 0.00 55.95 57.07 1n4i s SER 55 Cb -0.05 0.85 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 1n4i s SER 55 CO 0.72 -0.22 1.66 -0.60 0.98 0.00 0.00 173.24 175.78 1n4i s ARG 56 N 2.22 3.04 -0.01 4.02 3.52 -1.26 -4.21 118.95 126.27 1n4i s ARG 56 Ca -0.02 0.69 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 1n4i s ARG 56 Cb -0.11 -4.24 0.14 0.00 -1.56 0.00 0.00 34.95 29.17 1n4i s ARG 56 CO -0.10 -2.24 1.04 -0.89 -0.81 0.00 0.00 175.30 172.30 1n4i n ILE 57 N 7.09 0.26 -1.31 4.11 2.08 -1.11 -2.23 119.36 128.26 1n4i n ILE 57 Ca 0.17 -0.21 -0.40 0.00 0.56 0.00 0.00 62.75 62.87 1n4i n ILE 57 Cb 0.50 -0.01 0.01 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 -0.03 -2.90 0.00 4.38 7.64 -1.26 -4.30 113.62 117.15 1n4i n SER 58 Ca 0.05 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1n4i n SER 58 Cb 0.18 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 2.31 3.40 2.18 0.23 0.00 0.03 -4.63 105.19 108.71 1n4i n GLY 59 Ca 0.10 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.10 1.98 0.00 1.61 -0.04 -1.26 -3.60 135.00 132.60 1n4i n PRO 60 Ca 0.00 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1n4i n PRO 60 Cb 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.86 1.88 3.58 0.55 0.00 0.41 -5.01 105.19 109.47 1n4i n GLY 61 Ca 0.42 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.83 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 1.01 2.78 -0.07 0.00 3.01 -1.15 -0.04 119.74 125.29 1n4i s LYS 63 Ca 0.95 -0.58 -0.03 0.00 -1.01 0.00 0.00 55.97 55.30 1n4i s LYS 63 Cb -1.31 -2.66 0.04 0.00 -1.01 0.00 0.00 37.83 32.89 1n4i s LYS 63 CO 0.64 0.64 0.14 0.42 0.51 0.00 0.00 175.35 177.70 1n4i s ILE 64 N -1.00 -0.15 -0.08 2.17 -1.09 -1.25 -4.77 121.20 115.04 1n4i s ILE 64 Ca 0.17 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1n4i s ILE 64 Cb -0.11 -0.25 0.03 0.00 -1.58 0.00 0.00 42.46 40.54 1n4i s ILE 64 CO 0.07 0.11 -0.02 -0.94 -1.23 0.00 0.00 174.94 172.93 1n4i s SER 65 N 1.72 1.63 -1.27 3.58 1.04 -1.26 -1.73 113.70 117.41 1n4i s SER 65 Ca -0.03 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 1n4i s SER 65 Cb -0.12 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.48 1n4i s SER 65 CO -0.06 -0.15 0.22 0.41 0.98 0.00 0.00 173.24 174.64 1n4i n THR 66 N 4.93 -1.41 -4.02 2.02 -1.04 -1.19 -2.96 114.28 110.60 1n4i n THR 66 Ca -0.11 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.05 61.10 1n4i n THR 66 Cb 0.50 -1.28 -0.15 0.00 -1.82 0.00 0.00 70.33 67.59 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 6.68 0.00 -3.27 0.00 5.03 -1.88 -2.65 117.51 121.42 1n4i h ILE 68 Ca -0.19 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.79 1n4i h ILE 68 Cb 1.05 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.70 1n4i h ILE 68 CO 0.48 0.00 -1.06 -0.38 -0.68 0.00 0.00 178.15 176.51 1n4i n ILE 69 N -3.55 -1.17 -3.15 -0.67 5.41 -1.26 0.14 119.36 115.11 1n4i n ILE 69 Ca -0.04 0.92 0.05 0.00 1.00 0.00 0.00 62.75 64.68 1n4i n ILE 69 Cb 0.16 -1.42 -0.01 0.00 -0.71 0.00 0.00 39.64 37.66 1n4i n ILE 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1n4i s THR 70 N -4.63 -0.52 0.00 1.39 2.01 0.16 -2.81 115.64 111.25 1n4i s THR 70 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1n4i s THR 70 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1n4i s THR 70 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1n4i n GLY 71 N 5.40 0.76 1.46 4.40 0.00 0.24 -3.62 105.19 113.83 1n4i n GLY 71 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.33 0.63 3.27 -0.02 0.00 -1.10 -4.21 105.19 102.43 1n4i n GLY 72 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 2.00 0.21 1.61 -7.23 -1.24 -4.44 120.40 109.32 1n4i s VAL 73 Ca 0.00 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.82 1n4i s VAL 73 Cb 0.00 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.17 1n4i s VAL 73 CO 0.00 0.56 1.03 -2.16 -0.31 0.00 0.00 175.10 174.22 1n4i s PRO 74 N -0.28 4.71 0.27 4.82 0.04 -1.26 0.37 135.00 143.67 1n4i s PRO 74 Ca 0.00 1.62 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1n4i s PRO 74 Cb -0.12 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1n4i s PRO 74 CO 0.02 0.28 0.16 0.00 0.04 0.00 0.00 177.00 177.50 1n4i s ALA 75 N -0.74 3.53 -0.08 8.56 0.00 -1.26 -4.78 121.76 126.99 1n4i s ALA 75 Ca 0.45 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 1n4i s ALA 75 Cb -0.28 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1n4i s ALA 75 CO 0.35 0.22 1.38 -1.25 0.00 0.00 0.00 175.76 176.45 1n4i s PRO 76 N -3.83 4.25 0.00 0.00 0.04 -1.26 -4.59 135.00 129.61 1n4i s PRO 76 Ca 0.34 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1n4i s PRO 76 Cb -0.07 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1n4i s PRO 76 CO 0.24 -0.66 0.29 0.45 0.04 0.00 0.00 177.00 177.35 1n4i n SER 77 N 6.19 0.23 -1.78 6.66 2.88 -1.26 -4.95 113.62 121.58 1n4i n SER 77 Ca 0.14 -1.07 -0.12 0.00 -1.33 0.00 0.00 58.87 56.49 1n4i n SER 77 Cb 0.44 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.03 -0.42 0.00 -1.46 0.00 -1.26 -4.31 120.51 113.02 1n4i n ALA 78 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n4i n ALA 78 Cb 0.31 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.66 0.00 -1.01 0.00 0.00 -1.26 -5.13 120.51 112.44 1n4i n ALA 79 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1n4i n ALA 79 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 2.27 1.44 0.00 0.00 -0.00 -1.16 -4.98 118.16 115.74 1n4i n LYS 81 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1n4i n LYS 81 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 1n4i n LYS 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1n4i n ILE 82 N -0.77 0.00 0.00 0.58 0.13 -1.26 -4.91 119.36 113.13 1n4i n ILE 82 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1n4i n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1n4i n ILE 82 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1n4i n SER 83 N 0.00 0.00 -4.19 9.51 2.88 -1.26 -4.79 113.62 115.77 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 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 2.01 0.00 0.46 0.00 -1.26 -5.02 107.32 103.51 1n4i s GLY 84 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 44.72 42.24 1n4i s GLY 84 CO 0.00 1.06 0.00 0.00 0.00 0.00 0.00 173.10 174.16 1n4i n THR 86 N 0.00 0.00 -4.85 0.00 5.66 -1.26 -5.02 114.28 108.80 1n4i n THR 86 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1n4i n THR 86 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.00 2.01 0.00 1.09 0.08 -1.25 -4.23 117.98 113.68 1n4i s PHE 87 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1n4i s PHE 87 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1n4i s PHE 87 CO 0.00 0.06 0.93 0.45 -0.10 0.00 0.00 175.22 176.57 1n4i n SER 88 N 2.03 1.77 -2.70 1.36 2.88 -0.95 -4.78 113.62 113.23 1n4i n SER 88 Ca -0.17 -1.87 -0.03 0.00 -1.33 0.00 0.00 58.87 55.47 1n4i n SER 88 Cb 0.53 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.43 -2.16 0.97 -1.46 0.00 -1.26 -4.50 120.51 111.66 1n4i n ALA 89 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1n4i n ALA 89 Cb 0.27 -2.13 0.10 0.00 0.00 0.00 0.00 19.45 17.68 1n4i n ALA 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79