#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 0.23 3.08 6.12 0.00 -1.26 -5.10 105.19 108.26 1n4i n GLY 2 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i s SER 3 N 0.00 2.62 0.00 1.61 0.01 -1.26 -4.87 113.70 111.81 1n4i s SER 3 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1n4i s SER 3 Cb 0.00 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1n4i s SER 3 CO 0.00 0.03 0.00 0.00 0.41 0.00 0.00 173.24 173.68 1n4i n THR 5 N 0.00 0.00 0.00 0.00 -1.04 -1.25 -4.74 114.28 107.25 1n4i n THR 5 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1n4i n THR 5 Cb 0.00 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 -0.35 0.00 0.00 8.00 2.85 -1.26 0.10 115.26 124.60 1n4i n ASN 6 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1n4i n ASN 6 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 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 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.66 114.28 106.88 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 1.69 0.00 0.00 -1.82 0.00 0.00 70.33 70.20 1n4i n THR 7 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n4i n ASN 8 N 0.00 0.00 0.00 8.00 0.23 0.12 -4.75 115.26 118.85 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1n4i n ASN 8 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1n4i n SER 9 N 0.00 0.00 0.00 0.53 3.41 -0.82 -4.91 113.62 111.82 1n4i n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n4i n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.44 4.33 10.64 -1.26 -4.76 117.38 123.89 1n4i n GLN 10 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1n4i n GLN 10 Cb 0.00 -0.61 -0.02 0.00 -0.86 0.00 0.00 30.24 28.75 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 -2.33 -6.51 -3.40 2.61 7.94 -1.19 -3.84 117.00 110.28 1n4i n LEU 11 Ca 0.00 2.72 -0.35 0.00 -1.11 0.00 0.00 56.01 57.27 1n4i n LEU 11 Cb 0.29 -3.28 -0.01 0.00 0.53 0.00 0.00 43.42 40.95 1n4i n LEU 11 CO 0.00 -3.32 -0.22 -1.54 -1.11 0.00 0.00 177.39 171.20 1n4i n SER 12 N 1.82 -1.78 0.13 1.96 3.41 0.73 -4.68 113.62 115.21 1n4i n SER 12 Ca -0.14 0.73 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1n4i n SER 12 Cb 0.21 -0.71 0.43 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.50 0.97 -0.07 7.33 0.00 -1.26 -0.56 120.51 126.42 1n4i n ALA 13 Ca 0.11 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1n4i n ALA 13 Cb 0.27 -1.17 0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.06 2.60 -2.63 0.00 0.23 -1.26 -4.59 115.26 107.55 1n4i n ASN 14 Ca -0.01 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1n4i n ASN 14 Cb 0.07 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 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 0.35 0.00 -3.82 0.53 2.88 0.28 -4.72 113.62 109.11 1n4i n SER 15 Ca 0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1n4i n SER 15 Cb 0.37 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.46 0.66 0.00 -1.46 2.20 -1.24 -4.85 119.74 115.50 1n4i s LYS 16 Ca 0.00 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1n4i s LYS 16 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1n4i s LYS 16 CO 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 175.35 174.80 1n4i n GLU 18 N 0.00 -3.02 -3.83 0.00 -0.58 -1.26 -4.78 120.64 107.18 1n4i n GLU 18 Ca 0.00 2.46 -0.34 0.00 -0.42 0.00 0.00 57.16 58.86 1n4i n GLU 18 Cb 0.00 -3.53 0.02 0.00 -0.57 0.00 0.00 31.44 27.37 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 -4.05 -0.91 -3.56 3.49 4.01 -1.26 -4.95 118.16 110.94 1n4i n LYS 19 Ca -0.08 0.44 -0.06 0.00 -0.51 0.00 0.00 58.31 58.11 1n4i n LYS 19 Cb 0.59 -3.11 -0.02 0.00 -0.51 0.00 0.00 35.03 31.98 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1n4i s SER 20 N -3.34 -0.26 -0.29 4.39 1.04 -1.22 -4.37 113.70 109.66 1n4i s SER 20 Ca 0.33 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.75 1n4i s SER 20 Cb -0.16 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.33 1n4i s SER 20 CO 0.91 -0.48 0.01 0.28 0.98 0.00 0.00 173.24 174.95 1n4i s THR 21 N -2.83 1.61 0.00 2.02 -1.32 -1.23 -5.02 115.64 108.86 1n4i s THR 21 Ca 0.07 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1n4i s THR 21 Cb -0.01 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1n4i s THR 21 CO -0.07 -0.39 0.00 0.00 -2.21 0.00 0.00 174.62 171.95 1n4i n LEU 22 N 4.58 0.00 -3.64 9.08 -0.00 -1.26 -3.65 117.00 122.12 1n4i n LEU 22 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.93 1n4i n LEU 22 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.80 1n4i n LEU 22 CO 0.18 0.00 1.12 -0.89 -0.00 0.00 0.00 177.39 177.80 1n4i s THR 23 N -2.10 0.00 -0.07 1.47 2.01 -0.58 -4.88 115.64 111.50 1n4i s THR 23 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1n4i s THR 23 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1n4i s THR 23 CO 0.00 0.00 0.05 0.59 -0.69 0.00 0.00 174.62 174.57 1n4i n ASN 24 N 0.91 -6.00 0.00 3.53 4.13 -1.26 -2.59 115.26 113.98 1n4i n ASN 24 Ca -0.04 0.95 0.00 0.00 1.68 0.00 0.00 54.58 57.17 1n4i n ASN 24 Cb 0.58 -2.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.17 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 -1.86 0.00 4.01 -1.23 -4.49 117.16 113.58 1n4i n TYR 26 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1n4i n TYR 26 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1n4i n TYR 26 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1n4i s VAL 27 N 0.00 2.24 0.00 -0.72 1.01 -1.26 -4.26 120.40 117.40 1n4i s VAL 27 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1n4i s VAL 27 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1n4i s VAL 27 CO 0.00 0.01 0.45 0.47 0.00 0.00 0.00 175.10 176.03 1n4i n ASP 28 N -0.71 0.74 0.00 3.32 8.00 -0.91 0.26 116.55 127.24 1n4i n ASP 28 Ca 0.08 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1n4i n ASP 28 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n4i n LYS 29 N -0.10 0.00 -0.06 -1.24 5.02 -1.26 -4.64 118.16 115.88 1n4i n LYS 29 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n4i n LYS 29 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.00 0.00 0.11 4.39 7.64 -1.26 0.26 113.62 124.76 1n4i n SER 30 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1n4i n SER 30 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -1.21 1.43 1.02 -1.24 -3.69 120.64 116.94 1n4i n GLU 31 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1n4i n GLU 31 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 31.44 31.35 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 -3.27 -1.81 0.00 2.62 0.31 -0.35 -3.74 118.33 112.09 1n4i n VAL 32 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 1n4i n VAL 32 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.86 -0.36 -1.52 3.52 4.02 -1.06 -4.81 117.16 114.08 1n4i n TYR 33 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.62 1n4i n TYR 33 Cb 0.44 0.15 0.10 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.02 5.62 3.92 2.72 0.00 0.69 -3.42 105.19 114.75 1n4i n GLY 34 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 -4.22 2.12 -0.57 2.61 2.01 0.74 -4.16 115.64 114.17 1n4i s THR 35 Ca 0.56 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1n4i s THR 35 Cb 0.46 -2.97 0.35 0.00 0.01 0.00 0.00 72.50 70.34 1n4i s THR 35 CO 0.02 0.00 0.99 0.41 -0.69 0.00 0.00 174.62 175.35 1n4i n THR 36 N -3.20 3.07 -1.35 -0.82 -1.04 -1.23 -3.58 114.28 106.12 1n4i n THR 36 Ca 0.10 -5.52 -0.45 0.00 -2.04 0.00 0.00 64.05 56.14 1n4i n THR 36 Cb 0.60 -1.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.59 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 6.84 3.96 -3.18 0.00 -1.04 -1.20 -1.52 114.28 118.13 1n4i n THR 38 Ca 0.60 -5.43 -0.14 0.00 -2.04 0.00 0.00 64.05 57.03 1n4i n THR 38 Cb 0.01 -2.30 0.07 0.00 -1.82 0.00 0.00 70.33 66.29 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 1.90 -0.22 3.21 3.41 0.00 -0.71 -4.16 105.19 108.63 1n4i n GLY 39 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4i s SER 40 N -4.02 0.38 0.07 1.61 1.04 -1.04 -4.78 113.70 106.96 1n4i s SER 40 Ca 0.05 -1.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.03 1n4i s SER 40 Cb -0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1n4i s SER 40 CO 0.59 -0.80 0.21 0.00 0.98 0.00 0.00 173.24 174.23 1n4i s ARG 41 N -4.11 0.79 0.50 4.02 1.70 -1.26 -3.56 118.95 117.02 1n4i s ARG 41 Ca 0.36 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1n4i s ARG 41 Cb 0.07 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1n4i s ARG 41 CO 0.10 -0.25 0.00 1.19 -1.08 0.00 0.00 175.30 175.27 1n4i n PHE 42 N 0.29 1.16 -2.70 5.89 3.72 -1.26 -4.04 117.46 120.52 1n4i n PHE 42 Ca -0.17 -2.46 -0.06 0.00 -0.05 0.00 0.00 57.45 54.71 1n4i n PHE 42 Cb 0.61 -0.33 0.10 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.30 -1.08 0.00 4.37 2.03 -1.26 -2.15 116.55 117.16 1n4i n ASP 43 Ca -0.21 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.69 1n4i n ASP 43 Cb 0.63 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 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 -0.75 0.61 0.00 0.27 0.00 0.74 -4.02 105.19 102.03 1n4i n GLY 44 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.81 1.61 0.24 0.13 -3.16 118.33 114.35 1n4i n VAL 45 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1n4i n VAL 45 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.02 -1.78 3.34 -1.04 -1.11 -3.71 114.28 110.01 1n4i n THR 46 Ca 0.00 -2.15 -0.29 0.00 -2.04 0.00 0.00 64.05 59.56 1n4i n THR 46 Cb 0.00 1.05 0.09 0.00 -1.82 0.00 0.00 70.33 69.65 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 -0.41 2.48 0.00 12.58 2.07 -1.26 -2.70 121.20 133.96 1n4i s ILE 47 Ca 0.26 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 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 -0.21 0.00 0.35 -1.91 0.00 0.00 174.94 173.12 1n4i n THR 48 N -3.35 0.00 -1.69 4.00 -2.24 -1.19 -1.21 114.28 108.59 1n4i n THR 48 Ca 0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1n4i n THR 48 Cb 0.59 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1n4i n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n4i n THR 49 N -0.88 3.05 -3.47 4.28 -2.24 -1.26 0.26 114.28 114.02 1n4i n THR 49 Ca 0.00 -3.61 -0.38 0.00 -2.27 0.00 0.00 64.05 57.80 1n4i n THR 49 Cb 0.00 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 1n4i n THR 49 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1n4i s SER 50 N -2.77 6.31 0.21 3.42 0.01 -1.26 -3.57 113.70 116.06 1n4i s SER 50 Ca 0.57 0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 1n4i s SER 50 Cb 0.46 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.41 1n4i s SER 50 CO 0.02 -0.05 1.24 -0.89 0.41 0.00 0.00 173.24 173.97 1n4i s THR 51 N 1.35 3.34 -0.06 1.44 2.01 0.40 -3.58 115.64 120.54 1n4i s THR 51 Ca 0.15 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.28 1n4i s THR 51 Cb -0.15 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1n4i s THR 51 CO 0.07 0.20 0.09 -0.94 -0.69 0.00 0.00 174.62 173.34 1n4i s SER 52 N 0.07 1.12 -0.70 3.53 1.04 -1.14 0.27 113.70 117.89 1n4i s SER 52 Ca 0.53 0.10 0.05 0.00 0.48 0.00 0.00 55.95 57.11 1n4i s SER 52 Cb -0.35 -0.05 0.26 0.00 0.10 0.00 0.00 66.02 65.98 1n4i s SER 52 CO 0.39 -0.25 0.84 0.41 0.98 0.00 0.00 173.24 175.60 1n4i n THR 53 N 5.30 2.74 -0.30 2.02 -1.04 -1.04 -3.23 114.28 118.74 1n4i n THR 53 Ca -0.04 -5.32 0.00 0.00 -2.04 0.00 0.00 64.05 56.66 1n4i n THR 53 Cb 0.50 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 1n4i n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n4i n GLY 54 N 0.91 -0.72 3.59 3.41 0.00 -1.26 -0.97 105.19 110.16 1n4i n GLY 54 Ca 0.29 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.40 -0.56 1.61 1.04 -1.26 0.13 113.70 114.26 1n4i s SER 55 Ca 0.00 0.62 -0.23 0.00 0.48 0.00 0.00 55.95 56.82 1n4i s SER 55 Cb 0.00 1.23 0.05 0.00 0.10 0.00 0.00 66.02 67.40 1n4i s SER 55 CO 0.00 -0.10 0.90 0.00 0.98 0.00 0.00 173.24 175.02 1n4i s ARG 56 N 1.47 3.27 -0.01 4.02 1.70 -1.26 -4.18 118.95 123.96 1n4i s ARG 56 Ca -0.07 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 1n4i s ARG 56 Cb -0.04 -4.08 0.06 0.00 -0.57 0.00 0.00 34.95 30.33 1n4i s ARG 56 CO -0.14 -1.49 0.78 -0.89 -1.08 0.00 0.00 175.30 172.48 1n4i n ILE 57 N 6.08 0.17 -1.09 4.99 2.08 -1.26 -3.96 119.36 126.37 1n4i n ILE 57 Ca -0.00 -0.10 -0.35 0.00 0.56 0.00 0.00 62.75 62.85 1n4i n ILE 57 Cb 0.47 -0.28 0.07 0.00 -0.75 0.00 0.00 39.64 39.16 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 -0.09 -2.37 0.00 4.38 7.64 -1.26 -4.55 113.62 117.36 1n4i n SER 58 Ca 0.02 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1n4i n SER 58 Cb 0.22 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 1.96 3.73 0.00 0.23 0.00 -1.19 -4.58 105.19 105.35 1n4i n GLY 59 Ca 0.07 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.97 0.51 -0.85 1.61 -0.04 -1.26 -3.69 135.00 130.32 1n4i n PRO 60 Ca 0.00 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1n4i n PRO 60 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.62 0.54 3.74 0.55 0.00 -1.26 -5.05 105.19 104.33 1n4i n GLY 61 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.14 0.32 0.05 0.00 2.20 -1.26 -2.74 119.74 116.17 1n4i s LYS 63 Ca 0.57 0.88 0.05 0.00 -0.36 0.00 0.00 55.97 57.11 1n4i s LYS 63 Cb -0.50 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 35.88 1n4i s LYS 63 CO 0.61 -0.37 -0.15 0.42 -0.36 0.00 0.00 175.35 175.50 1n4i s ILE 64 N 2.58 1.21 -0.17 5.43 1.09 -1.10 -4.66 121.20 125.58 1n4i s ILE 64 Ca 0.03 -1.14 -0.04 0.00 -1.10 0.00 0.00 60.65 58.40 1n4i s ILE 64 Cb -0.13 -1.11 0.07 0.00 -1.06 0.00 0.00 42.46 40.24 1n4i s ILE 64 CO -0.13 -0.04 0.17 -0.94 -0.10 0.00 0.00 174.94 173.89 1n4i s SER 65 N -1.36 1.56 -1.18 3.58 1.04 -1.26 -3.20 113.70 112.89 1n4i s SER 65 Ca 0.02 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.07 1n4i s SER 65 Cb -0.09 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1n4i s SER 65 CO 0.02 -0.32 0.76 0.41 0.98 0.00 0.00 173.24 175.09 1n4i n THR 66 N 5.31 -5.87 -4.46 2.02 -1.04 -1.25 -2.95 114.28 106.04 1n4i n THR 66 Ca -0.06 -0.91 -0.34 0.00 -2.04 0.00 0.00 64.05 60.71 1n4i n THR 66 Cb 0.49 -4.42 -0.13 0.00 -1.82 0.00 0.00 70.33 64.46 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 0.43 4.43 0.08 0.00 1.09 -1.26 0.15 121.20 126.11 1n4i s ILE 68 Ca -0.05 -0.99 0.04 0.00 -1.10 0.00 0.00 60.65 58.54 1n4i s ILE 68 Cb -0.15 -4.81 -0.04 0.00 -1.06 0.00 0.00 42.46 36.41 1n4i s ILE 68 CO 0.03 -1.58 0.04 -0.63 -0.10 0.00 0.00 174.94 172.70 1n4i s ILE 69 N 3.62 4.31 -0.28 2.92 1.01 0.75 0.10 121.20 133.63 1n4i s ILE 69 Ca 0.32 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1n4i s ILE 69 Cb -0.08 -3.06 0.17 0.00 0.01 0.00 0.00 42.46 39.51 1n4i s ILE 69 CO -0.03 0.14 0.50 -0.89 0.00 0.00 0.00 174.94 174.67 1n4i s THR 70 N -1.33 -0.82 0.00 2.92 2.01 -0.04 -2.49 115.64 115.88 1n4i s THR 70 Ca 0.27 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1n4i s THR 70 Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1n4i s THR 70 CO 0.20 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1n4i n GLY 71 N 5.39 0.96 1.69 4.40 0.00 -0.14 -3.80 105.19 113.69 1n4i n GLY 71 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.76 0.50 3.12 -0.02 0.00 0.34 -3.84 105.19 103.52 1n4i n GLY 72 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 1.63 -0.01 1.61 -7.23 -1.25 -3.99 120.40 109.17 1n4i s VAL 73 Ca 0.00 -0.76 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 1n4i s VAL 73 Cb 0.00 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1n4i s VAL 73 CO 0.00 0.47 0.89 -2.16 -0.31 0.00 0.00 175.10 173.99 1n4i s PRO 74 N 0.63 4.53 0.14 4.82 0.04 -1.26 -0.86 135.00 143.04 1n4i s PRO 74 Ca -0.14 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1n4i s PRO 74 Cb -0.16 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.87 1n4i s PRO 74 CO 0.04 0.02 0.46 0.00 0.04 0.00 0.00 177.00 177.56 1n4i s ALA 75 N 0.81 3.68 -0.63 8.56 0.00 0.29 -4.94 121.76 129.52 1n4i s ALA 75 Ca 0.47 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1n4i s ALA 75 Cb -0.20 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1n4i s ALA 75 CO 0.25 0.56 1.59 -1.25 0.00 0.00 0.00 175.76 176.91 1n4i s PRO 76 N -2.30 2.96 0.00 0.00 0.04 -1.26 -4.26 135.00 130.18 1n4i s PRO 76 Ca 0.39 0.34 0.09 0.00 0.04 0.00 0.00 61.00 61.86 1n4i s PRO 76 Cb -0.13 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.13 1n4i s PRO 76 CO 0.20 -2.37 0.57 0.45 0.04 0.00 0.00 177.00 175.89 1n4i n SER 77 N 10.99 1.03 0.00 6.66 2.88 -1.26 -4.96 113.62 128.96 1n4i n SER 77 Ca 0.13 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1n4i n SER 77 Cb 0.50 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 -0.44 0.00 0.00 -1.46 0.00 -1.26 -4.65 120.51 112.70 1n4i n ALA 78 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1n4i n ALA 78 Cb 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.00 1.83 -0.87 0.00 0.00 -1.26 -5.07 120.51 116.14 1n4i n ALA 79 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1n4i n ALA 79 Cb 0.09 0.25 0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 0.61 2.38 0.00 0.00 0.00 -1.15 -4.89 118.16 115.11 1n4i n LYS 81 Ca -0.00 -2.12 0.00 0.00 -0.00 0.00 0.00 58.31 56.19 1n4i n LYS 81 Cb 0.67 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.21 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 1.26 0.00 0.01 0.58 2.08 -1.26 -4.55 119.36 117.49 1n4i n ILE 82 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1n4i n ILE 82 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 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 0.00 0.17 0.00 4.38 2.88 -1.26 -5.12 113.62 114.67 1n4i n SER 83 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1n4i n SER 83 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4i n GLY 84 N 2.75 2.93 7.00 0.46 0.00 -1.26 -5.13 105.19 111.94 1n4i n GLY 84 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i n THR 86 N -0.32 0.00 -4.28 0.00 5.66 -1.26 -4.99 114.28 109.09 1n4i n THR 86 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1n4i n THR 86 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.02 2.56 0.00 1.09 0.08 -1.26 -4.33 117.98 115.10 1n4i s PHE 87 Ca 0.00 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1n4i s PHE 87 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1n4i s PHE 87 CO 0.00 0.25 0.57 0.43 -0.10 0.00 0.00 175.22 176.38 1n4i n SER 88 N -1.17 -0.42 -2.96 1.36 7.64 -1.25 -4.87 113.62 111.95 1n4i n SER 88 Ca -0.02 -1.15 -0.11 0.00 1.01 0.00 0.00 58.87 58.60 1n4i n SER 88 Cb 0.65 0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.99 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 0.00 -2.94 0.22 -0.43 0.00 -1.24 -4.63 120.51 111.50 1n4i n ALA 89 Ca -0.12 0.77 0.02 0.00 0.00 0.00 0.00 53.44 54.11 1n4i n ALA 89 Cb 0.49 -2.55 0.11 0.00 0.00 0.00 0.00 19.45 17.49 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77