#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n54 n LYS 7 N 0.00 2.02 -0.78 1.96 5.02 -1.26 -5.01 118.16 120.10 1n54 n LYS 7 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1n54 n LYS 7 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.39 1n54 n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n54 n ALA 8 N -3.00 3.60 0.24 7.82 0.00 -1.26 -3.41 120.51 124.50 1n54 n ALA 8 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 53.44 51.77 1n54 n ALA 8 Cb 0.00 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.49 1n54 n ALA 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n54 n LEU 9 N 0.78 2.76 0.10 0.00 4.77 -1.26 -4.03 117.00 120.12 1n54 n LEU 9 Ca 0.26 -1.46 0.05 0.00 -0.03 0.00 0.00 56.01 54.84 1n54 n LEU 9 Cb 1.07 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1n54 n LEU 9 CO 0.29 0.60 0.13 -0.09 -1.33 0.00 0.00 177.39 176.99 1n54 h ARG 10 N 2.97 0.00 -6.34 3.23 2.43 -1.96 -3.48 114.38 111.23 1n54 h ARG 10 Ca 0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 1n54 h ARG 10 Cb 0.73 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.41 1n54 h ARG 10 CO 0.00 0.23 -0.20 0.45 -1.51 0.00 0.00 179.97 178.95 1n54 n SER 11 N -2.95 -0.02 -3.11 -3.80 2.88 -1.26 -4.98 113.62 100.38 1n54 n SER 11 Ca -0.02 1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 58.40 1n54 n SER 11 Cb 0.70 -1.16 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 1n54 n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1n54 n ASP 12 N 1.34 0.98 -0.47 -3.46 -0.08 -1.26 -4.99 116.55 108.61 1n54 n ASP 12 Ca 0.12 -2.98 0.39 0.00 -1.51 0.00 0.00 54.79 50.80 1n54 n ASP 12 Cb 0.34 -0.61 0.67 0.00 2.34 0.00 0.00 41.12 43.87 1n54 n ASP 12 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1n54 h SER 13 N 3.00 0.21 1.12 1.67 0.87 -1.97 0.16 113.55 118.61 1n54 h SER 13 Ca 0.07 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1n54 h SER 13 Cb 0.99 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1n54 h SER 13 CO 0.51 -0.16 -0.61 1.88 -0.53 0.00 0.00 176.83 177.91 1n54 h TYR 14 N 0.07 0.00 -0.02 2.24 -1.99 -1.94 -3.23 116.97 112.10 1n54 h TYR 14 Ca 0.83 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.56 1n54 h TYR 14 Cb 2.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.43 1n54 h TYR 14 CO -0.00 0.61 -0.15 1.55 -0.00 0.00 0.00 178.16 180.17 1n54 n VAL 15 N -3.39 0.00 -1.66 -2.88 3.14 0.40 -4.69 118.33 109.25 1n54 n VAL 15 Ca 0.01 -0.43 -0.47 0.00 -2.96 0.00 0.00 64.34 60.49 1n54 n VAL 15 Cb 0.72 1.38 -0.04 0.00 -1.06 0.00 0.00 33.84 34.83 1n54 n VAL 15 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n54 n GLU 16 N 0.77 2.05 -2.27 1.45 -0.58 -0.32 -4.88 120.64 116.87 1n54 n GLU 16 Ca 0.11 0.74 -0.40 0.00 -0.42 0.00 0.00 57.16 57.19 1n54 n GLU 16 Cb 0.50 -2.51 0.01 0.00 -0.57 0.00 0.00 31.44 28.87 1n54 n GLU 16 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1n54 n LEU 17 N 3.79 7.67 0.00 -4.62 0.00 -1.26 -4.38 117.00 118.20 1n54 n LEU 17 Ca 0.18 -5.09 0.00 0.00 0.00 0.00 0.00 56.01 51.10 1n54 n LEU 17 Cb 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1n54 n LEU 17 CO 0.65 2.04 0.00 -0.24 0.00 0.00 0.00 177.39 179.83 1n54 n SER 18 N 0.79 0.00 -4.31 1.96 2.88 -1.26 -4.99 113.62 108.69 1n54 n SER 18 Ca 0.55 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.71 1n54 n SER 18 Cb 0.26 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1n54 n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n54 n GLN 19 N -0.31 -2.29 -0.11 -1.46 6.02 -1.26 -4.26 117.38 113.71 1n54 n GLN 19 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1n54 n GLN 19 Cb 0.00 -4.85 0.00 0.00 1.02 0.00 0.00 30.24 26.41 1n54 n GLN 19 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1n54 n TYR 20 N -4.30 0.00 -2.68 1.08 9.36 -1.26 -4.83 117.16 114.53 1n54 n TYR 20 Ca 0.04 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.83 1n54 n TYR 20 Cb 0.50 -0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 39.13 1n54 n TYR 20 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1n54 s ARG 21 N 0.50 3.74 -1.11 2.98 1.81 -1.26 -4.92 118.95 120.69 1n54 s ARG 21 Ca 0.00 0.54 -0.16 0.00 -1.72 0.00 0.00 55.73 54.39 1n54 s ARG 21 Cb 0.00 -3.88 -0.07 0.00 -0.45 0.00 0.00 34.95 30.56 1n54 s ARG 21 CO 0.00 -1.23 2.13 -0.25 -0.68 0.00 0.00 175.30 175.27 1n54 n ASP 22 N 7.44 3.72 -4.34 0.23 8.00 -1.26 -4.76 116.55 125.57 1n54 n ASP 22 Ca 0.10 -2.70 -0.17 0.00 0.71 0.00 0.00 54.79 52.73 1n54 n ASP 22 Cb 0.49 -1.35 -0.10 0.00 -0.02 0.00 0.00 41.12 40.13 1n54 n ASP 22 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1n54 s GLN 23 N 3.96 1.38 0.00 -1.24 2.00 -1.26 -5.17 119.66 119.33 1n54 s GLN 23 Ca 0.53 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.17 1n54 s GLN 23 Cb 0.14 -0.57 0.00 0.00 0.80 0.00 0.00 33.01 33.38 1n54 s GLN 23 CO 0.01 -0.15 0.00 0.72 -0.50 0.00 0.00 175.29 175.38 1n54 n HIS 24 N -0.45 0.00 -3.91 1.67 8.25 -1.26 -4.96 115.22 114.56 1n54 n HIS 24 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 1n54 n HIS 24 Cb 0.65 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.60 1n54 n HIS 24 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1n54 s PHE 25 N 0.00 2.41 -0.25 4.41 -0.00 -1.26 -4.83 117.98 118.45 1n54 s PHE 25 Ca 0.00 -1.87 0.10 0.00 -0.00 0.00 0.00 56.93 55.16 1n54 s PHE 25 Cb 0.00 -1.74 0.32 0.00 -0.00 0.00 0.00 43.02 41.59 1n54 s PHE 25 CO 0.00 -0.80 1.41 2.89 -0.00 0.00 0.00 175.22 178.71 1n54 n ARG 26 N 4.66 1.04 0.00 1.99 1.85 -1.26 -5.03 116.66 119.92 1n54 n ARG 26 Ca -0.08 -1.23 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 1n54 n ARG 26 Cb 0.44 0.39 0.00 0.00 -1.05 0.00 0.00 32.46 32.24 1n54 n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n54 n GLY 27 N -1.15 -0.62 0.00 2.89 0.00 -1.26 -5.10 105.19 99.95 1n54 n GLY 27 Ca -0.20 0.39 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 1n54 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n54 n ASP 28 N 0.00 4.31 -4.85 1.61 5.75 -1.26 -5.05 116.55 117.06 1n54 n ASP 28 Ca 0.00 -0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1n54 n ASP 28 Cb 0.00 0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 1n54 n ASP 28 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1n54 s ASN 29 N -3.67 6.04 0.00 -1.12 3.84 -1.26 -5.00 114.94 113.77 1n54 s ASN 29 Ca -0.01 0.23 0.10 0.00 0.21 0.00 0.00 52.86 53.40 1n54 s ASN 29 Cb 0.00 -1.81 0.62 0.00 -0.55 0.00 0.00 41.25 39.51 1n54 s ASN 29 CO 0.02 0.25 1.32 -0.62 -2.79 0.00 0.00 177.10 175.27 1n54 n GLU 30 N 0.91 0.90 0.29 0.43 1.02 -1.26 -3.01 120.64 119.92 1n54 n GLU 30 Ca -0.11 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.22 1n54 n GLU 30 Cb 0.52 -1.18 0.81 0.00 -0.02 0.00 0.00 31.44 31.57 1n54 n GLU 30 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1n54 h GLU 31 N 0.00 0.00 0.00 3.49 4.57 -2.00 -0.59 114.58 120.05 1n54 h GLU 31 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n54 h GLU 31 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1n54 h GLU 31 CO 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 1n54 n GLN 32 N -3.12 0.00 0.00 1.92 10.64 -1.16 -4.63 117.38 121.02 1n54 n GLN 32 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1n54 n GLN 32 Cb 0.25 -0.08 0.00 0.00 -0.86 0.00 0.00 30.24 29.55 1n54 n GLN 32 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1n54 n GLU 33 N -1.62 0.00 -0.30 2.61 4.07 -1.22 0.28 120.64 124.46 1n54 n GLU 33 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 1n54 n GLU 33 Cb 0.00 0.00 0.31 0.00 -0.06 0.00 0.00 31.44 31.69 1n54 n GLU 33 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1n54 h LYS 34 N 0.00 0.20 -0.00 5.31 3.64 -1.36 0.14 116.57 124.50 1n54 h LYS 34 Ca 0.00 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1n54 h LYS 34 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1n54 h LYS 34 CO 0.00 0.13 -0.88 -0.07 -2.27 0.00 0.00 179.45 176.36 1n54 h LEU 35 N 0.21 0.33 0.31 5.20 3.38 0.37 -3.29 115.31 121.82 1n54 h LEU 35 Ca 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1n54 h LEU 35 Cb 1.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1n54 h LEU 35 CO -0.66 1.06 -0.41 -0.07 0.09 0.00 0.00 178.44 178.45 1n54 h LEU 36 N 0.15 -1.15 0.00 1.67 3.38 -0.75 -1.03 115.31 117.57 1n54 h LEU 36 Ca -0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n54 h LEU 36 Cb 1.50 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1n54 h LEU 36 CO 0.14 -0.51 0.00 0.29 0.09 0.00 0.00 178.44 178.45 1n54 n LYS 37 N -4.85 0.35 -0.09 1.13 5.02 -1.08 -1.64 118.16 117.00 1n54 n LYS 37 Ca -0.09 0.05 0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1n54 n LYS 37 Cb 0.36 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.95 1n54 n LYS 37 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n54 n LYS 38 N -1.08 1.57 -3.25 1.97 4.81 -0.96 -5.06 118.16 116.16 1n54 n LYS 38 Ca 0.09 -2.06 -0.25 0.00 -0.87 0.00 0.00 58.31 55.22 1n54 n LYS 38 Cb 0.06 -1.23 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 1n54 n LYS 38 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1n54 s SER 39 N -2.08 6.30 0.00 3.14 0.15 -0.43 -5.00 113.70 115.78 1n54 s SER 39 Ca 0.19 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1n54 s SER 39 Cb 0.17 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1n54 s SER 39 CO 0.02 -0.33 0.68 0.00 1.20 0.00 0.00 173.24 174.81 1n54 s THR 41 N -0.47 2.88 -0.06 0.00 -1.32 -1.26 -1.03 115.64 114.38 1n54 s THR 41 Ca 0.00 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.78 1n54 s THR 41 Cb 0.00 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1n54 s THR 41 CO 0.00 0.47 0.12 -0.76 -2.21 0.00 0.00 174.62 172.24 1n54 s LEU 42 N 1.38 4.18 -0.36 9.08 1.43 -0.03 -2.53 118.68 131.84 1n54 s LEU 42 Ca 0.05 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1n54 s LEU 42 Cb -0.14 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1n54 s LEU 42 CO -0.07 0.34 0.60 -0.47 0.23 0.00 0.00 176.35 176.98 1n54 s TYR 43 N -1.12 3.16 -0.26 0.29 5.04 0.20 -1.53 117.35 123.12 1n54 s TYR 43 Ca 0.19 0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 55.00 1n54 s TYR 43 Cb -0.12 -3.09 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 1n54 s TYR 43 CO 0.10 -0.61 0.15 0.08 -1.34 0.00 0.00 175.55 173.92 1n54 s VAL 44 N 2.62 5.06 0.25 3.14 1.01 0.45 -1.32 120.40 131.61 1n54 s VAL 44 Ca 0.23 0.08 0.12 0.00 0.00 0.00 0.00 61.98 62.40 1n54 s VAL 44 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1n54 s VAL 44 CO 0.15 0.29 -0.20 -0.83 0.00 0.00 0.00 175.10 174.50 1n54 s GLY 45 N 1.58 1.81 -0.35 4.51 0.00 -0.83 -1.23 107.32 112.80 1n54 s GLY 45 Ca 0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 1n54 s GLY 45 CO 0.08 -1.88 0.30 -2.01 0.00 0.00 0.00 173.10 169.59 1n54 n ASN 46 N -0.39 -2.60 -4.94 1.64 4.05 -0.40 -3.07 115.26 109.55 1n54 n ASN 46 Ca -0.07 -0.16 -0.25 0.00 0.45 0.00 0.00 54.58 54.55 1n54 n ASN 46 Cb 0.59 -1.76 0.05 0.00 1.23 0.00 0.00 39.78 39.88 1n54 n ASN 46 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1n54 s LEU 47 N -2.97 3.09 0.25 1.20 1.43 -0.65 -4.67 118.68 116.35 1n54 s LEU 47 Ca 0.08 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1n54 s LEU 47 Cb -0.04 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 1n54 s LEU 47 CO 0.20 -1.28 0.99 -0.55 0.23 0.00 0.00 176.35 175.95 1n54 s SER 48 N -4.41 7.52 0.66 2.29 0.15 -1.26 -4.67 113.70 113.98 1n54 s SER 48 Ca 0.57 2.04 0.30 0.00 0.70 0.00 0.00 55.95 59.56 1n54 s SER 48 Cb -0.11 -2.61 1.62 0.00 -1.71 0.00 0.00 66.02 63.21 1n54 s SER 48 CO 0.43 0.05 1.92 -0.26 1.20 0.00 0.00 173.24 176.58 1n54 h PHE 49 N 4.13 0.00 -0.20 3.44 -1.00 -1.96 0.12 116.94 121.48 1n54 h PHE 49 Ca -0.45 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.25 1n54 h PHE 49 Cb 1.20 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.72 1n54 h PHE 49 CO 0.61 0.00 -0.15 0.66 -1.61 0.00 0.00 178.31 177.81 1n54 n TYR 50 N -2.95 0.63 -2.82 -0.55 4.02 -1.26 -4.69 117.16 109.53 1n54 n TYR 50 Ca -0.01 -1.36 -0.41 0.00 -0.01 0.00 0.00 57.90 56.11 1n54 n TYR 50 Cb 0.40 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.33 1n54 n TYR 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1n54 s THR 51 N -3.12 4.84 0.37 -0.72 2.01 0.43 -5.05 115.64 114.40 1n54 s THR 51 Ca 0.41 1.86 0.03 0.00 0.31 0.00 0.00 61.69 64.30 1n54 s THR 51 Cb 0.37 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1n54 s THR 51 CO 0.00 0.23 0.54 0.42 -0.69 0.00 0.00 174.62 175.13 1n54 s THR 52 N 0.68 4.29 0.09 -0.82 -4.23 -1.26 -4.96 115.64 109.42 1n54 s THR 52 Ca 0.46 -0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 60.01 1n54 s THR 52 Cb -0.21 -3.54 -0.12 0.00 1.34 0.00 0.00 72.50 69.98 1n54 s THR 52 CO 0.25 -0.29 1.68 -0.08 -0.54 0.00 0.00 174.62 175.64 1n54 h GLU 53 N 0.72 0.14 -0.91 3.99 4.81 -1.99 -2.75 114.58 118.59 1n54 h GLU 53 Ca -0.47 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 58.96 1n54 h GLU 53 Cb 1.25 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 1n54 h GLU 53 CO 0.56 0.18 0.42 0.93 -0.73 0.00 0.00 179.01 180.37 1n54 h GLU 54 N 0.06 0.41 0.24 1.92 3.07 -2.00 -1.18 114.58 117.11 1n54 h GLU 54 Ca 0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1n54 h GLU 54 Cb 0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1n54 h GLU 54 CO -0.01 0.27 -0.12 1.96 -1.40 0.00 0.00 179.01 179.72 1n54 h GLN 55 N 0.43 -0.32 -0.91 2.33 4.20 -1.90 -2.97 115.11 115.98 1n54 h GLN 55 Ca 0.57 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.44 1n54 h GLN 55 Cb 1.07 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.83 1n54 h GLN 55 CO -0.52 0.00 0.51 0.82 -0.67 0.00 0.00 178.83 178.98 1n54 h ILE 56 N -0.66 0.78 -0.30 2.54 2.04 -1.16 -1.74 117.51 119.01 1n54 h ILE 56 Ca -0.03 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1n54 h ILE 56 Cb 0.46 -0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 1n54 h ILE 56 CO 0.05 0.14 -0.30 1.88 0.00 0.00 0.00 178.15 179.92 1n54 h TYR 57 N 0.74 -0.83 0.03 1.37 0.05 -1.13 -1.19 116.97 116.02 1n54 h TYR 57 Ca 0.49 0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.34 1n54 h TYR 57 Cb 0.64 0.41 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 1n54 h TYR 57 CO -0.05 -0.37 -0.17 1.49 -1.05 0.00 0.00 178.16 178.00 1n54 h GLU 58 N -0.28 -0.29 0.48 4.88 4.57 -1.17 -2.44 114.58 120.33 1n54 h GLU 58 Ca 0.15 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1n54 h GLU 58 Cb 0.52 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1n54 h GLU 58 CO -0.46 -0.19 -0.24 1.25 -1.18 0.00 0.00 179.01 178.18 1n54 h LEU 59 N -0.30 -0.58 0.00 1.64 5.85 -1.22 -2.92 115.31 117.77 1n54 h LEU 59 Ca 0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1n54 h LEU 59 Cb 0.35 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1n54 h LEU 59 CO -0.14 -0.41 0.00 0.49 -0.34 0.00 0.00 178.44 178.04 1n54 n PHE 60 N -5.38 0.00 0.80 1.25 3.01 -0.48 -2.59 117.46 114.08 1n54 n PHE 60 Ca -0.12 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.46 1n54 n PHE 60 Cb 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.82 1n54 n PHE 60 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1n54 n SER 61 N -0.95 0.66 0.00 4.37 7.64 -0.92 -3.77 113.62 120.65 1n54 n SER 61 Ca 0.15 -0.39 0.11 0.00 1.01 0.00 0.00 58.87 59.75 1n54 n SER 61 Cb 0.07 0.66 0.51 0.00 -1.01 0.00 0.00 64.21 64.44 1n54 n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n54 n LYS 62 N -1.71 0.04 -0.16 1.43 5.02 -1.07 -2.07 118.16 119.63 1n54 n LYS 62 Ca 0.04 0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 1n54 n LYS 62 Cb 0.38 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1n54 n LYS 62 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1n54 n SER 63 N -1.48 2.85 0.00 4.39 3.41 -1.25 -5.07 113.62 116.48 1n54 n SER 63 Ca 0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1n54 n SER 63 Cb 0.26 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1n54 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n54 n GLY 64 N 0.46 3.99 3.67 5.00 0.00 -0.88 -4.35 105.19 113.08 1n54 n GLY 64 Ca 0.11 -1.55 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1n54 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n54 n ASP 65 N 0.00 3.20 -4.92 1.61 9.92 -1.26 -4.21 116.55 120.90 1n54 n ASP 65 Ca 0.00 1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 55.05 1n54 n ASP 65 Cb 0.00 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.02 1n54 n ASP 65 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1n54 s ILE 66 N 1.39 5.13 -0.13 0.53 1.01 -1.26 -3.17 121.20 124.70 1n54 s ILE 66 Ca 0.81 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 1n54 s ILE 66 Cb -0.67 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1n54 s ILE 66 CO 0.39 -0.25 -0.26 1.17 0.00 0.00 0.00 174.94 176.00 1n54 n LYS 67 N -0.82 0.39 -3.75 2.79 4.81 0.25 -4.85 118.16 116.98 1n54 n LYS 67 Ca -0.04 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1n54 n LYS 67 Cb 0.54 -1.18 -0.10 0.00 0.02 0.00 0.00 35.03 34.30 1n54 n LYS 67 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1n54 s LYS 68 N -2.47 0.43 -0.20 1.64 2.20 -1.09 -5.02 119.74 115.23 1n54 s LYS 68 Ca -0.21 0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1n54 s LYS 68 Cb 0.03 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1n54 s LYS 68 CO 0.32 -0.05 -0.09 0.42 -0.36 0.00 0.00 175.35 175.59 1n54 s ILE 69 N 0.14 3.06 -0.48 5.43 1.01 -1.26 -1.92 121.20 127.17 1n54 s ILE 69 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1n54 s ILE 69 Cb -0.03 -2.36 0.10 0.00 0.01 0.00 0.00 42.46 40.19 1n54 s ILE 69 CO 0.01 0.46 0.38 -0.63 0.00 0.00 0.00 174.94 175.16 1n54 s ILE 70 N 1.31 4.71 0.17 2.92 1.09 -0.45 -4.97 121.20 125.98 1n54 s ILE 70 Ca 0.04 -1.47 -0.32 0.00 -1.10 0.00 0.00 60.65 57.80 1n54 s ILE 70 Cb -0.14 -3.97 -0.11 0.00 -1.06 0.00 0.00 42.46 37.19 1n54 s ILE 70 CO -0.04 -0.70 1.67 -0.04 -0.10 0.00 0.00 174.94 175.72 1n54 s MET 71 N 1.50 4.17 0.17 2.79 -1.94 -1.26 -2.15 119.30 122.58 1n54 s MET 71 Ca 0.04 2.49 -0.31 0.00 -1.71 0.00 0.00 55.69 56.20 1n54 s MET 71 Cb -0.26 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.28 1n54 s MET 71 CO 0.02 -0.70 1.44 0.20 -0.01 0.00 0.00 175.02 175.98 1n54 s GLY 72 N 1.43 2.00 0.42 -0.03 0.00 -0.77 -4.94 107.32 105.43 1n54 s GLY 72 Ca 0.74 1.24 0.06 0.00 0.00 0.00 0.00 44.72 46.76 1n54 s GLY 72 CO 0.32 2.38 0.02 1.08 0.00 0.00 0.00 173.10 176.90 1n54 s LEU 73 N 0.60 2.84 -0.25 0.66 1.43 0.13 -2.11 118.68 121.96 1n54 s LEU 73 Ca 0.64 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1n54 s LEU 73 Cb -0.40 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1n54 s LEU 73 CO 0.35 -0.49 0.22 -0.62 0.23 0.00 0.00 176.35 176.03 1n54 s ASP 74 N -3.73 6.13 0.13 2.29 3.68 -0.63 -0.97 116.67 123.56 1n54 s ASP 74 Ca 0.33 0.12 0.07 0.00 2.13 0.00 0.00 52.55 55.20 1n54 s ASP 74 Cb 0.09 -2.13 0.38 0.00 -1.45 0.00 0.00 42.92 39.81 1n54 s ASP 74 CO 0.17 -0.02 1.12 1.17 0.13 0.00 0.00 175.17 177.74 1n54 n LYS 75 N 4.72 0.05 0.01 4.34 4.81 -1.26 -0.57 118.16 130.25 1n54 n LYS 75 Ca -0.13 0.47 -0.01 0.00 -0.87 0.00 0.00 58.31 57.77 1n54 n LYS 75 Cb 0.52 -1.79 -0.00 0.00 0.02 0.00 0.00 35.03 33.77 1n54 n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1n54 n MET 76 N -1.70 0.06 0.18 1.64 2.81 -1.26 -4.81 117.12 114.04 1n54 n MET 76 Ca -0.00 0.02 0.14 0.00 -1.81 0.00 0.00 57.70 56.04 1n54 n MET 76 Cb 0.15 -0.38 0.47 0.00 -0.71 0.00 0.00 33.22 32.74 1n54 n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1n54 h LYS 77 N -0.10 0.00 -6.01 0.03 3.64 -1.99 -3.48 116.57 108.65 1n54 h LYS 77 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1n54 h LYS 77 Cb 0.10 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1n54 h LYS 77 CO 0.00 0.00 -0.65 1.63 -2.27 0.00 0.00 179.45 178.16 1n54 n LYS 78 N -2.64 -1.40 -3.20 1.90 4.76 0.26 -4.92 118.16 112.92 1n54 n LYS 78 Ca 0.03 0.93 -0.07 0.00 -2.87 0.00 0.00 58.31 56.33 1n54 n LYS 78 Cb 0.35 -4.32 0.02 0.00 -1.84 0.00 0.00 35.03 29.24 1n54 n LYS 78 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1n54 n THR 79 N -2.86 0.00 -1.50 -0.18 -2.24 -1.26 -4.81 114.28 101.43 1n54 n THR 79 Ca -0.12 -0.78 -0.43 0.00 -2.27 0.00 0.00 64.05 60.45 1n54 n THR 79 Cb 0.59 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 1n54 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n54 n ALA 80 N -1.07 0.85 0.28 6.98 0.00 -1.26 -1.61 120.51 124.69 1n54 n ALA 80 Ca -0.13 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.00 1n54 n ALA 80 Cb 0.47 -2.74 0.17 0.00 0.00 0.00 0.00 19.45 17.35 1n54 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n54 n GLY 82 N 1.16 1.98 0.00 0.00 0.00 -1.26 -5.03 105.19 102.04 1n54 n GLY 82 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n54 n GLY 82 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1n54 n PHE 83 N -0.06 -0.43 0.00 1.61 1.16 -1.26 -1.27 117.46 117.21 1n54 n PHE 83 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1n54 n PHE 83 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1n54 n PHE 83 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1n54 s PHE 85 N -2.00 2.26 -0.24 0.00 0.40 -0.92 -0.41 117.98 117.07 1n54 s PHE 85 Ca 0.00 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1n54 s PHE 85 Cb 0.00 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 42.08 1n54 s PHE 85 CO 0.00 -0.23 -0.11 0.08 0.70 0.00 0.00 175.22 175.66 1n54 s VAL 86 N -0.05 2.33 -0.28 -0.44 1.01 -0.58 -1.34 120.40 121.05 1n54 s VAL 86 Ca -0.05 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.48 1n54 s VAL 86 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1n54 s VAL 86 CO 0.04 0.13 0.11 -0.70 0.00 0.00 0.00 175.10 174.68 1n54 s GLU 87 N 1.19 3.42 0.61 2.72 2.12 -0.81 -0.85 118.70 127.10 1n54 s GLU 87 Ca -0.04 -0.65 -0.01 0.00 0.36 0.00 0.00 54.97 54.63 1n54 s GLU 87 Cb -0.18 -3.44 0.05 0.00 0.26 0.00 0.00 34.13 30.82 1n54 s GLU 87 CO -0.06 -0.33 0.86 0.71 -0.54 0.00 0.00 175.26 175.89 1n54 s TYR 88 N 1.59 2.76 0.08 5.30 2.02 -0.20 0.87 117.35 129.77 1n54 s TYR 88 Ca 0.05 0.08 0.08 0.00 -0.37 0.00 0.00 57.07 56.91 1n54 s TYR 88 Cb -0.16 -2.89 -0.20 0.00 -0.40 0.00 0.00 41.96 38.30 1n54 s TYR 88 CO 0.05 -1.09 1.19 1.88 -1.57 0.00 0.00 175.55 176.00 1n54 h TYR 89 N -0.16 0.00 -3.69 2.71 0.05 -1.85 -3.43 116.97 110.60 1n54 h TYR 89 Ca -0.42 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.22 1n54 h TYR 89 Cb 1.30 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.84 1n54 h TYR 89 CO 0.31 0.97 -0.54 -1.54 -1.05 0.00 0.00 178.16 176.31 1n54 s SER 90 N -6.59 0.12 0.36 3.88 1.04 -1.26 -5.04 113.70 106.21 1n54 s SER 90 Ca 0.00 -0.37 0.09 0.00 0.48 0.00 0.00 55.95 56.15 1n54 s SER 90 Cb 0.10 0.19 0.82 0.00 0.10 0.00 0.00 66.02 67.22 1n54 s SER 90 CO 0.82 -0.40 1.90 -0.09 0.98 0.00 0.00 173.24 176.44 1n54 h ARG 91 N 4.14 0.67 -0.54 4.02 2.43 -1.91 -2.91 114.38 120.28 1n54 h ARG 91 Ca -0.32 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1n54 h ARG 91 Cb 1.19 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 1n54 h ARG 91 CO 0.44 0.44 -0.40 0.00 -1.51 0.00 0.00 179.97 178.94 1n54 h ALA 92 N 1.60 -0.47 -0.23 2.80 0.00 -1.96 0.57 119.26 121.58 1n54 h ALA 92 Ca 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1n54 h ALA 92 Cb 0.61 1.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1n54 h ALA 92 CO -0.17 -0.72 -0.01 -0.44 0.00 0.00 0.00 179.25 177.91 1n54 h ASP 93 N -0.10 0.32 -0.48 0.00 5.19 -1.72 -2.83 116.42 116.80 1n54 h ASP 93 Ca 0.09 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1n54 h ASP 93 Cb 0.33 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1n54 h ASP 93 CO -0.56 0.39 0.18 0.00 -3.12 0.00 0.00 179.24 176.12 1n54 h ALA 94 N 1.66 0.63 -0.75 3.45 0.00 -0.12 -2.75 119.26 121.38 1n54 h ALA 94 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1n54 h ALA 94 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1n54 h ALA 94 CO 0.01 0.25 0.32 0.93 0.00 0.00 0.00 179.25 180.75 1n54 h GLU 95 N 0.64 1.11 0.11 0.00 5.08 0.15 -2.59 114.58 119.07 1n54 h GLU 95 Ca 0.16 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1n54 h GLU 95 Cb 0.22 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1n54 h GLU 95 CO -0.01 0.90 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.65 1n54 h ASN 96 N 1.07 -0.96 -0.46 1.42 2.35 -1.32 0.97 115.58 118.65 1n54 h ASN 96 Ca 0.25 0.11 0.12 0.00 -0.55 0.00 0.00 56.30 56.23 1n54 h ASN 96 Cb 0.19 0.37 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1n54 h ASN 96 CO -0.02 -0.42 0.32 0.00 -1.65 0.00 0.00 177.43 175.66 1n54 h ALA 97 N 0.08 2.31 0.00 -0.83 0.00 -1.41 2.18 119.26 121.59 1n54 h ALA 97 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1n54 h ALA 97 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1n54 h ALA 97 CO -0.20 -0.44 -0.72 1.98 0.00 0.00 0.00 179.25 179.87 1n54 h MET 98 N 0.09 0.00 0.18 0.00 1.85 -0.72 0.25 114.93 116.58 1n54 h MET 98 Ca 0.22 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.97 1n54 h MET 98 Cb 0.75 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.79 1n54 h MET 98 CO -0.02 0.72 -1.68 0.00 -0.40 0.00 0.00 176.91 175.54 1n54 h ARG 99 N 0.00 0.37 0.00 0.39 3.08 0.68 -3.39 114.38 115.52 1n54 h ARG 99 Ca -0.01 -0.64 -0.03 0.00 0.07 0.00 0.00 59.98 59.37 1n54 h ARG 99 Cb 1.53 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.81 1n54 h ARG 99 CO 0.09 1.31 -1.26 0.66 -1.07 0.00 0.00 179.97 179.70 1n54 n TYR 100 N -3.66 0.00 -0.03 3.04 4.01 0.68 -4.78 117.16 116.42 1n54 n TYR 100 Ca -0.25 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.28 1n54 n TYR 100 Cb 1.04 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.78 1n54 n TYR 100 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1n54 h ILE 101 N 0.00 0.78 -1.82 -0.72 2.04 -0.97 -3.44 117.51 113.38 1n54 h ILE 101 Ca -0.05 -2.30 -0.66 0.00 1.00 0.00 0.00 64.86 62.85 1n54 h ILE 101 Cb 0.67 2.44 0.07 0.00 -0.74 0.00 0.00 36.82 39.25 1n54 h ILE 101 CO 0.00 0.67 0.36 -3.20 0.00 0.00 0.00 178.15 175.98 1n54 n ASN 102 N -3.87 1.49 0.00 1.72 5.15 0.65 -1.19 115.26 119.21 1n54 n ASN 102 Ca -0.31 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 1n54 n ASN 102 Cb 0.91 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1n54 n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n54 n GLY 103 N 2.25 1.51 3.48 8.20 0.00 0.85 -4.95 105.19 116.53 1n54 n GLY 103 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1n54 n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n54 n THR 104 N -2.00 0.00 -3.89 2.61 -2.24 -0.33 -4.68 114.28 103.75 1n54 n THR 104 Ca 0.00 -1.36 -0.35 0.00 -2.27 0.00 0.00 64.05 60.07 1n54 n THR 104 Cb 0.00 -1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 67.18 1n54 n THR 104 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n54 s ARG 105 N -4.89 3.45 -0.04 -0.78 0.52 -1.26 -1.55 118.95 114.40 1n54 s ARG 105 Ca 0.60 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1n54 s ARG 105 Cb -0.03 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.34 1n54 s ARG 105 CO 0.40 0.71 -0.02 -1.17 0.02 0.00 0.00 175.30 175.24 1n54 s LEU 106 N -1.63 1.14 -1.30 2.53 2.96 0.20 -4.81 118.68 117.77 1n54 s LEU 106 Ca 0.23 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1n54 s LEU 106 Cb -0.12 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.25 1n54 s LEU 106 CO 0.14 -0.10 0.53 0.47 -1.32 0.00 0.00 176.35 176.07 1n54 n ASP 107 N 4.24 -2.56 -3.55 3.68 8.00 -1.26 -1.70 116.55 123.39 1n54 n ASP 107 Ca -0.23 -1.14 -0.26 0.00 0.71 0.00 0.00 54.79 53.87 1n54 n ASP 107 Cb 0.50 -2.51 0.02 0.00 -0.02 0.00 0.00 41.12 39.11 1n54 n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n54 n ASP 108 N -2.65 -4.82 -3.66 -2.24 8.00 -1.26 -4.91 116.55 105.02 1n54 n ASP 108 Ca -0.20 -0.55 -0.15 0.00 0.71 0.00 0.00 54.79 54.60 1n54 n ASP 108 Cb 0.63 -3.89 -0.08 0.00 -0.02 0.00 0.00 41.12 37.76 1n54 n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n54 s ARG 109 N -6.24 0.83 -0.25 -1.24 1.70 -0.69 -5.10 118.95 107.96 1n54 s ARG 109 Ca 0.51 0.07 -0.29 0.00 -0.47 0.00 0.00 55.73 55.55 1n54 s ARG 109 Cb -0.25 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1n54 s ARG 109 CO 0.63 -0.24 1.40 0.42 -1.08 0.00 0.00 175.30 176.44 1n54 s ILE 110 N -1.14 4.00 -0.21 4.99 -1.09 -1.26 -0.63 121.20 125.86 1n54 s ILE 110 Ca -0.11 1.15 -0.10 0.00 -2.23 0.00 0.00 60.65 59.35 1n54 s ILE 110 Cb -0.03 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1n54 s ILE 110 CO 0.06 -0.36 0.13 0.27 -1.23 0.00 0.00 174.94 173.82 1n54 s ILE 111 N 4.50 5.36 -0.22 2.92 -4.36 -0.60 -4.95 121.20 123.85 1n54 s ILE 111 Ca 0.61 0.17 -0.09 0.00 -0.26 0.00 0.00 60.65 61.09 1n54 s ILE 111 Cb -0.20 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 1n54 s ILE 111 CO 0.24 0.42 0.11 0.00 0.24 0.00 0.00 174.94 175.95 1n54 s ARG 112 N 0.54 3.96 0.09 0.37 1.70 -1.18 -0.11 118.95 124.33 1n54 s ARG 112 Ca 0.08 -0.33 0.06 0.00 -0.47 0.00 0.00 55.73 55.06 1n54 s ARG 112 Cb -0.12 -3.39 -0.04 0.00 -0.57 0.00 0.00 34.95 30.83 1n54 s ARG 112 CO -0.00 0.08 -0.07 0.95 -1.08 0.00 0.00 175.30 175.17 1n54 s THR 113 N 0.95 3.54 0.08 4.99 -4.23 -1.26 -1.97 115.64 117.73 1n54 s THR 113 Ca 0.06 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1n54 s THR 113 Cb -0.14 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1n54 s THR 113 CO 0.03 0.15 0.05 -0.62 -0.54 0.00 0.00 174.62 173.69 1n54 s ASP 114 N -2.14 0.36 0.22 3.99 2.15 -0.44 -4.98 116.67 115.83 1n54 s ASP 114 Ca 0.22 -0.97 -0.30 0.00 0.43 0.00 0.00 52.55 51.93 1n54 s ASP 114 Cb -0.11 0.26 -0.09 0.00 -0.30 0.00 0.00 42.92 42.68 1n54 s ASP 114 CO 0.14 -0.67 1.12 0.26 -0.17 0.00 0.00 175.17 175.85 1n54 s TRP 115 N -3.94 3.55 -0.06 -5.34 0.52 -1.26 0.59 118.94 113.00 1n54 s TRP 115 Ca 0.11 1.60 0.02 0.00 0.02 0.00 0.00 56.10 57.85 1n54 s TRP 115 Cb 0.07 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 29.09 1n54 s TRP 115 CO -0.07 -0.71 -0.09 0.34 0.02 0.00 0.00 176.95 176.43 1n54 s ASP 116 N -0.38 1.57 0.36 2.95 -1.08 -1.05 -4.73 116.67 114.32 1n54 s ASP 116 Ca 0.48 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.43 1n54 s ASP 116 Cb -0.31 -0.71 1.11 0.00 -1.46 0.00 0.00 42.92 41.55 1n54 s ASP 116 CO 0.38 -0.01 1.68 0.00 0.52 0.00 0.00 175.17 177.74 1n54 h ALA 117 N 7.15 2.09 0.00 3.66 0.00 -1.86 -3.41 119.26 126.90 1n54 h ALA 117 Ca -0.33 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1n54 h ALA 117 Cb 1.17 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n54 h ALA 117 CO 0.46 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1n54 n GLY 118 N -1.36 3.44 3.70 0.00 0.00 -1.26 -4.68 105.19 105.04 1n54 n GLY 118 Ca 0.31 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1n54 n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n54 s PHE 119 N -2.00 3.52 0.21 1.61 5.36 -1.26 -5.06 117.98 120.35 1n54 s PHE 119 Ca 0.00 1.12 0.10 0.00 -0.96 0.00 0.00 56.93 57.19 1n54 s PHE 119 Cb 0.00 -2.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 1n54 s PHE 119 CO 0.00 0.03 -0.19 0.15 -1.46 0.00 0.00 175.22 173.75 1n54 s LYS 120 N 1.06 1.44 0.21 10.12 1.02 -1.26 -5.10 119.74 127.22 1n54 s LYS 120 Ca 0.34 -1.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 1n54 s LYS 120 Cb -0.17 -1.51 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1n54 s LYS 120 CO 0.15 0.30 1.31 -2.00 -0.92 0.00 0.00 175.35 174.19 1n54 s GLU 121 N -3.10 4.39 0.00 1.68 2.56 -1.26 -2.61 118.70 120.35 1n54 s GLU 121 Ca 0.22 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.25 1n54 s GLU 121 Cb -0.05 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.89 1n54 s GLU 121 CO 0.09 -0.25 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 1n54 n GLY 122 N 2.29 0.38 0.03 -1.50 0.00 -1.26 -4.93 105.19 100.20 1n54 n GLY 122 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1n54 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n54 n ARG 123 N -1.76 0.14 -0.77 1.61 5.12 -1.07 -3.85 116.66 116.06 1n54 n ARG 123 Ca 0.00 -0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 55.84 1n54 n ARG 123 Cb 0.00 -1.50 0.26 0.00 -1.16 0.00 0.00 32.46 30.06 1n54 n ARG 123 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1n54 n GLN 124 N -1.38 3.34 -4.38 5.56 3.00 -1.26 -4.84 117.38 117.41 1n54 n GLN 124 Ca 0.08 -2.38 -0.30 0.00 -0.01 0.00 0.00 57.00 54.38 1n54 n GLN 124 Cb 0.33 -2.03 -0.17 0.00 0.00 0.00 0.00 30.24 28.37 1n54 n GLN 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1n54 s TYR 125 N -2.41 2.23 -1.74 1.08 1.51 -1.25 0.18 117.35 116.95 1n54 s TYR 125 Ca 0.42 -1.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1n54 s TYR 125 Cb 0.34 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1n54 s TYR 125 CO 0.11 -0.57 0.43 0.41 -1.11 0.00 0.00 175.55 174.82