#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n36 s ARG 3 N 0.00 1.24 -0.29 0.54 0.52 -1.26 -5.18 118.95 114.52 1n36 s ARG 3 Ca 0.00 -1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 53.42 1n36 s ARG 3 Cb 0.00 -0.52 0.17 0.00 0.52 0.00 0.00 34.95 35.12 1n36 s ARG 3 CO 0.00 -0.08 1.14 0.45 0.02 0.00 0.00 175.30 176.82 1n36 s SER 4 N -3.25 -0.29 0.11 0.23 0.15 -1.26 -5.06 113.70 104.33 1n36 s SER 4 Ca 0.26 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1n36 s SER 4 Cb 0.05 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1n36 s SER 4 CO 0.06 -0.08 0.00 0.18 1.20 0.00 0.00 173.24 174.61 1n36 n LEU 5 N 3.09 0.39 0.00 3.45 4.32 -1.26 -5.16 117.00 121.83 1n36 n LEU 5 Ca -0.17 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1n36 n LEU 5 Cb 0.57 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1n36 n LEU 5 CO 0.04 -0.57 0.00 0.29 -1.22 0.00 0.00 177.39 175.93 1n36 n LYS 6 N -3.25 0.00 -2.99 3.23 5.02 -1.26 -4.82 118.16 114.09 1n36 n LYS 6 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1n36 n LYS 6 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 1n36 n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1n36 s LYS 7 N 0.00 3.38 0.00 1.97 -2.85 -1.26 -4.28 119.74 116.70 1n36 s LYS 7 Ca 0.00 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 1n36 s LYS 7 Cb 0.00 -4.58 0.00 0.00 -2.06 0.00 0.00 37.83 31.19 1n36 s LYS 7 CO 0.00 -1.69 0.00 0.41 0.10 0.00 0.00 175.35 174.17 1n36 n GLY 8 N 5.26 1.00 3.33 0.59 0.00 -1.26 -5.10 105.19 109.01 1n36 n GLY 8 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1n36 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n36 n VAL 9 N 0.00 0.86 -4.52 1.61 0.31 -1.26 -4.95 118.33 110.38 1n36 n VAL 9 Ca 0.00 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1n36 n VAL 9 Cb 0.00 -0.23 -0.16 0.00 -0.91 0.00 0.00 33.84 32.54 1n36 n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1n36 s PHE 10 N -1.83 2.74 -0.18 3.52 5.36 -1.26 -5.08 117.98 121.25 1n36 s PHE 10 Ca 0.61 -1.24 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1n36 s PHE 10 Cb -0.51 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1n36 s PHE 10 CO 0.62 -0.58 -0.18 0.08 -1.46 0.00 0.00 175.22 173.70 1n36 s VAL 11 N 0.90 2.23 0.04 3.12 1.01 -1.26 -0.57 120.40 125.87 1n36 s VAL 11 Ca -0.04 -0.89 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 1n36 s VAL 11 Cb -0.15 -1.94 -0.11 0.00 0.00 0.00 0.00 36.38 34.17 1n36 s VAL 11 CO -0.03 0.53 1.84 -0.67 0.00 0.00 0.00 175.10 176.77 1n36 n ASP 12 N 4.56 3.72 -1.42 3.32 4.64 -1.26 -4.78 116.55 125.32 1n36 n ASP 12 Ca -0.20 0.98 0.00 0.00 -1.38 0.00 0.00 54.79 54.19 1n36 n ASP 12 Cb 0.50 -1.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.12 1n36 n ASP 12 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1n36 n ASP 13 N 5.96 4.73 -0.09 1.67 3.85 -1.26 -1.08 116.55 130.33 1n36 n ASP 13 Ca 0.20 -2.28 -0.11 0.00 -0.71 0.00 0.00 54.79 51.89 1n36 n ASP 13 Cb 0.34 -0.98 -0.11 0.00 -1.35 0.00 0.00 41.12 39.03 1n36 n ASP 13 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1n36 n HIS 14 N 1.33 0.00 -0.08 2.11 -0.00 -1.26 -3.96 115.22 113.36 1n36 n HIS 14 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1n36 n HIS 14 Cb 0.48 -0.79 -0.06 0.00 -0.00 0.00 0.00 29.99 29.62 1n36 n HIS 14 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1n36 n LEU 15 N -2.86 1.54 -0.22 2.41 -0.00 -1.02 -3.72 117.00 113.14 1n36 n LEU 15 Ca -0.31 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1n36 n LEU 15 Cb 0.95 -0.49 0.11 0.00 -0.00 0.00 0.00 43.42 43.99 1n36 n LEU 15 CO 0.27 0.43 1.03 0.25 -0.00 0.00 0.00 177.39 179.36 1n36 h LEU 16 N -0.46 0.35 0.00 1.47 5.85 -1.38 0.27 115.31 121.42 1n36 h LEU 16 Ca -0.40 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1n36 h LEU 16 Cb 1.40 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1n36 h LEU 16 CO -0.21 0.21 0.00 1.21 -0.34 0.00 0.00 178.44 179.31 1n36 n GLU 17 N -4.92 0.00 -0.54 1.25 4.07 -1.25 -2.12 120.64 117.13 1n36 n GLU 17 Ca 0.09 0.30 -0.06 0.00 -0.06 0.00 0.00 57.16 57.43 1n36 n GLU 17 Cb 0.25 -1.28 -0.08 0.00 -0.06 0.00 0.00 31.44 30.27 1n36 n GLU 17 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1n36 n LYS 18 N -1.39 1.07 0.00 5.31 2.85 -1.08 -1.76 118.16 123.17 1n36 n LYS 18 Ca 0.00 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.77 1n36 n LYS 18 Cb 0.00 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1n36 n LYS 18 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1n36 n VAL 19 N 2.53 0.02 -0.31 0.58 3.14 0.93 -4.58 118.33 120.65 1n36 n VAL 19 Ca 0.21 0.01 0.03 0.00 -2.96 0.00 0.00 64.34 61.62 1n36 n VAL 19 Cb 0.50 -0.98 0.22 0.00 -1.06 0.00 0.00 33.84 32.52 1n36 n VAL 19 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1n36 h LEU 20 N 0.00 0.95 0.21 6.55 3.38 -0.80 -1.79 115.31 123.81 1n36 h LEU 20 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n36 h LEU 20 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n36 h LEU 20 CO 0.00 0.62 -0.10 -0.33 0.09 0.00 0.00 178.44 178.72 1n36 h GLU 21 N 1.08 -0.28 -0.70 1.13 5.08 -1.87 -3.32 114.58 115.70 1n36 h GLU 21 Ca 0.38 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.86 1n36 h GLU 21 Cb 0.12 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.32 1n36 h GLU 21 CO -0.13 0.10 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.45 1n36 h LEU 22 N -0.87 -1.61 -0.85 1.33 3.38 -1.74 -2.03 115.31 112.91 1n36 h LEU 22 Ca -0.03 0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.38 1n36 h LEU 22 Cb 0.51 0.74 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 1n36 h LEU 22 CO 0.05 -0.32 -0.22 0.59 0.09 0.00 0.00 178.44 178.64 1n36 n ASN 23 N -5.39 -0.32 -0.27 -0.43 3.02 -0.70 -2.86 115.26 108.32 1n36 n ASN 23 Ca 0.03 1.46 0.00 0.00 -0.03 0.00 0.00 54.58 56.04 1n36 n ASN 23 Cb 0.34 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1n36 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n36 n ALA 24 N -3.68 0.45 -1.62 5.41 0.00 -0.77 -0.23 120.51 120.07 1n36 n ALA 24 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1n36 n ALA 24 Cb 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1n36 n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n36 n LYS 25 N 0.01 0.00 0.00 0.00 4.01 -1.13 -4.93 118.16 116.12 1n36 n LYS 25 Ca 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1n36 n LYS 25 Cb 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 35.03 34.33 1n36 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n36 n GLY 26 N 0.00 1.88 0.63 0.72 0.00 0.68 -5.00 105.19 104.09 1n36 n GLY 26 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1n36 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n36 n GLU 27 N -0.61 -1.37 0.00 1.61 -0.58 0.24 -4.92 120.64 115.01 1n36 n GLU 27 Ca 0.00 1.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1n36 n GLU 27 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 1n36 n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1n36 n LYS 28 N -3.26 3.26 -2.94 3.49 0.00 -1.22 -4.64 118.16 112.86 1n36 n LYS 28 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.16 1n36 n LYS 28 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.31 1n36 n LYS 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1n36 n ARG 29 N 0.00 0.61 -2.19 1.64 1.74 -1.26 -4.96 116.66 112.24 1n36 n ARG 29 Ca 0.00 -2.34 -0.01 0.00 -0.77 0.00 0.00 57.85 54.74 1n36 n ARG 29 Cb 0.00 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1n36 n ARG 29 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n36 n LEU 30 N 2.12 -5.30 -4.63 0.55 0.00 -1.26 -4.99 117.00 103.50 1n36 n LEU 30 Ca 0.17 0.91 -0.30 0.00 0.00 0.00 0.00 56.01 56.80 1n36 n LEU 30 Cb 0.57 -2.35 0.18 0.00 0.00 0.00 0.00 43.42 41.82 1n36 n LEU 30 CO 0.06 -1.94 0.62 -0.63 0.00 0.00 0.00 177.39 175.50 1n36 s ILE 31 N -0.85 2.27 0.00 1.96 -1.09 -0.66 -4.87 121.20 117.97 1n36 s ILE 31 Ca -0.03 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1n36 s ILE 31 Cb 0.00 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1n36 s ILE 31 CO 0.45 -0.11 0.39 2.29 -1.23 0.00 0.00 174.94 176.73 1n36 n LYS 32 N -4.35 0.63 -1.68 2.79 -0.00 -1.26 -2.18 118.16 112.11 1n36 n LYS 32 Ca 0.07 -0.39 -0.43 0.00 -0.00 0.00 0.00 58.31 57.57 1n36 n LYS 32 Cb 0.54 -0.89 -0.03 0.00 -0.00 0.00 0.00 35.03 34.65 1n36 n LYS 32 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1n36 n THR 33 N -0.20 0.47 0.00 0.58 5.66 -1.25 -4.75 114.28 114.79 1n36 n THR 33 Ca 0.00 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1n36 n THR 33 Cb 0.00 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 66.64 1n36 n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1n36 n TRP 34 N 6.12 0.00 -0.09 1.09 5.03 -1.22 -4.24 117.44 124.13 1n36 n TRP 34 Ca 0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.72 1n36 n TRP 34 Cb 0.37 -0.49 0.00 0.00 -1.03 0.00 0.00 31.31 30.17 1n36 n TRP 34 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1n36 n SER 35 N -2.76 0.00 -0.11 -0.99 2.88 -1.26 -3.45 113.62 107.94 1n36 n SER 35 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1n36 n SER 35 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1n36 n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1n36 n ARG 36 N 0.47 2.59 -0.46 -1.46 1.85 -1.26 -4.55 116.66 113.83 1n36 n ARG 36 Ca 0.00 -1.49 0.08 0.00 -1.00 0.00 0.00 57.85 55.44 1n36 n ARG 36 Cb 0.00 -1.05 0.25 0.00 -1.05 0.00 0.00 32.46 30.62 1n36 n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1n36 n ARG 37 N -0.28 2.82 -4.23 2.89 1.85 -1.26 -3.44 116.66 115.01 1n36 n ARG 37 Ca 0.02 -2.86 -0.34 0.00 -1.00 0.00 0.00 57.85 53.67 1n36 n ARG 37 Cb 0.26 -1.84 -0.11 0.00 -1.05 0.00 0.00 32.46 29.71 1n36 n ARG 37 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1n36 s SER 38 N -1.99 5.15 0.22 2.89 0.15 -1.26 -4.63 113.70 114.23 1n36 s SER 38 Ca 0.42 -0.04 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 1n36 s SER 38 Cb 0.35 -1.86 -0.14 0.00 -1.71 0.00 0.00 66.02 62.66 1n36 s SER 38 CO 0.08 0.17 1.32 0.41 1.20 0.00 0.00 173.24 176.42 1n36 n THR 39 N 3.53 0.99 -2.40 6.45 -1.04 0.26 -3.95 114.28 118.13 1n36 n THR 39 Ca -0.17 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 1n36 n THR 39 Cb 0.52 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 1n36 n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n36 s ILE 40 N -0.16 3.77 -0.02 12.58 1.01 -0.46 -4.67 121.20 133.25 1n36 s ILE 40 Ca 0.69 1.39 0.07 0.00 0.00 0.00 0.00 60.65 62.80 1n36 s ILE 40 Cb -0.71 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 37.86 1n36 s ILE 40 CO 0.51 0.17 -0.24 0.68 0.00 0.00 0.00 174.94 176.07 1n36 s VAL 41 N 0.41 1.87 0.12 2.92 -7.23 -1.26 -4.66 120.40 112.57 1n36 s VAL 41 Ca 0.55 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.48 1n36 s VAL 41 Cb -0.31 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1n36 s VAL 41 CO 0.33 0.53 1.24 -2.65 -0.31 0.00 0.00 175.10 174.24 1n36 n PRO 42 N 2.54 -0.33 -0.34 4.82 -0.02 -1.26 -2.30 135.00 138.11 1n36 n PRO 42 Ca -0.16 1.22 0.26 0.00 -2.02 0.00 0.00 63.50 62.79 1n36 n PRO 42 Cb 0.52 -1.79 0.55 0.00 -0.02 0.00 0.00 33.50 32.76 1n36 n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1n36 h GLU 43 N 0.00 0.30 -0.20 -0.52 9.09 -2.01 -0.35 114.58 120.89 1n36 h GLU 43 Ca 0.12 -0.02 0.05 0.00 0.05 0.00 0.00 59.36 59.56 1n36 h GLU 43 Cb 0.31 -0.07 -0.07 0.00 -1.65 0.00 0.00 28.75 27.27 1n36 h GLU 43 CO -0.71 0.20 -0.40 0.52 0.05 0.00 0.00 179.01 178.67 1n36 h MET 44 N 0.31 -0.41 0.00 1.06 2.86 -1.85 -3.41 114.93 113.48 1n36 h MET 44 Ca 0.62 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.28 1n36 h MET 44 Cb 1.71 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1n36 h MET 44 CO -0.28 -0.27 0.00 0.28 1.06 0.00 0.00 176.91 177.70 1n36 n VAL 45 N -5.43 0.00 0.00 -2.22 0.31 -0.14 -0.57 118.33 110.28 1n36 n VAL 45 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1n36 n VAL 45 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1n36 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n36 n GLY 46 N 0.00 1.74 0.00 2.92 0.00 -1.25 -5.02 105.19 103.58 1n36 n GLY 46 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1n36 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n36 n HIS 47 N 0.00 -0.50 -3.64 1.61 8.25 0.27 -4.90 115.22 116.31 1n36 n HIS 47 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1n36 n HIS 47 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1n36 n HIS 47 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1n36 s THR 48 N 0.00 0.00 -0.15 1.59 2.01 -1.26 -4.37 115.64 113.46 1n36 s THR 48 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1n36 s THR 48 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1n36 s THR 48 CO 0.00 0.00 0.01 -0.51 -0.69 0.00 0.00 174.62 173.43 1n36 s ILE 49 N 1.25 4.32 -0.98 1.82 1.10 -1.22 -1.65 121.20 125.84 1n36 s ILE 49 Ca -0.07 -0.21 -0.13 0.00 -0.51 0.00 0.00 60.65 59.72 1n36 s ILE 49 Cb -0.04 -2.89 0.22 0.00 0.15 0.00 0.00 42.46 39.90 1n36 s ILE 49 CO -0.15 0.51 1.01 0.00 -2.11 0.00 0.00 174.94 174.21 1n36 s ALA 50 N 0.03 4.21 0.00 1.50 0.00 -0.93 -3.42 121.76 123.16 1n36 s ALA 50 Ca 0.03 -3.44 -0.00 0.00 0.00 0.00 0.00 51.96 48.54 1n36 s ALA 50 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1n36 s ALA 50 CO 0.02 -2.40 0.09 0.14 0.00 0.00 0.00 175.76 173.61 1n36 s VAL 51 N 0.15 4.80 0.91 0.00 -7.23 -1.24 -3.42 120.40 114.37 1n36 s VAL 51 Ca 0.27 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.91 1n36 s VAL 51 Cb -0.09 -3.21 0.14 0.00 0.56 0.00 0.00 36.38 33.78 1n36 s VAL 51 CO -0.08 0.32 1.12 -0.47 -0.31 0.00 0.00 175.10 175.69 1n36 s TYR 52 N -1.23 2.48 -0.00 2.82 5.04 -1.22 -0.44 117.35 124.79 1n36 s TYR 52 Ca 0.24 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1n36 s TYR 52 Cb -0.12 -3.32 0.00 0.00 0.35 0.00 0.00 41.96 38.87 1n36 s TYR 52 CO 0.15 -2.38 0.58 -1.71 -1.34 0.00 0.00 175.55 170.85 1n36 n ASN 53 N -3.80 0.22 0.00 4.32 4.05 0.50 -4.75 115.26 115.81 1n36 n ASN 53 Ca 0.06 -1.16 0.00 0.00 0.45 0.00 0.00 54.58 53.94 1n36 n ASN 53 Cb 0.58 -0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.58 1n36 n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1n36 n GLY 54 N -0.06 1.44 0.68 8.20 0.00 -1.26 -4.35 105.19 109.84 1n36 n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n36 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n36 n LYS 55 N -2.00 0.00 -4.12 1.61 4.81 -1.26 -5.15 118.16 112.06 1n36 n LYS 55 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1n36 n LYS 55 Cb 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 35.03 35.00 1n36 n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1n36 s GLN 56 N -1.34 2.93 -0.13 1.64 -1.52 -1.26 -5.12 119.66 114.85 1n36 s GLN 56 Ca 0.00 -1.05 0.02 0.00 -1.95 0.00 0.00 55.36 52.37 1n36 s GLN 56 Cb 0.00 -2.56 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 1n36 s GLN 56 CO 0.00 0.40 -0.18 -1.01 -0.25 0.00 0.00 175.29 174.25 1n36 s HIS 57 N -2.13 2.70 0.01 0.91 3.76 -1.26 0.19 115.29 119.48 1n36 s HIS 57 Ca 0.33 -1.02 0.06 0.00 -0.15 0.00 0.00 55.06 54.28 1n36 s HIS 57 Cb -0.08 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1n36 s HIS 57 CO 0.25 -0.43 -0.19 0.14 -0.85 0.00 0.00 174.74 173.65 1n36 s VAL 58 N 0.59 1.54 0.29 -0.90 -7.23 0.41 -4.88 120.40 110.23 1n36 s VAL 58 Ca -0.11 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 1n36 s VAL 58 Cb -0.16 -1.31 -0.12 0.00 0.56 0.00 0.00 36.38 35.35 1n36 s VAL 58 CO 0.03 0.31 1.58 -0.81 -0.31 0.00 0.00 175.10 175.91 1n36 n PRO 59 N 2.27 2.67 -2.90 4.82 -0.04 -1.25 -3.61 135.00 136.96 1n36 n PRO 59 Ca -0.16 0.95 -0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1n36 n PRO 59 Cb 0.53 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1n36 n PRO 59 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n36 n VAL 60 N 2.05 -0.26 -1.56 0.52 0.31 -1.22 -4.91 118.33 113.26 1n36 n VAL 60 Ca 0.08 -2.06 -0.19 0.00 -0.01 0.00 0.00 64.34 62.17 1n36 n VAL 60 Cb 0.37 0.39 -0.07 0.00 -0.91 0.00 0.00 33.84 33.62 1n36 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n36 n TYR 61 N 2.03 1.20 -1.57 3.52 -0.00 -1.26 -3.37 117.16 117.70 1n36 n TYR 61 Ca 0.16 0.01 -0.33 0.00 -0.00 0.00 0.00 57.90 57.74 1n36 n TYR 61 Cb 0.58 -2.58 0.07 0.00 -0.00 0.00 0.00 39.34 37.41 1n36 n TYR 61 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1n36 s ILE 62 N 13.97 2.82 0.13 2.97 1.10 -1.26 -4.99 121.20 135.94 1n36 s ILE 62 Ca 0.95 0.38 0.02 0.00 -0.51 0.00 0.00 60.65 61.50 1n36 s ILE 62 Cb -0.16 -2.90 -0.04 0.00 0.15 0.00 0.00 42.46 39.50 1n36 s ILE 62 CO 0.13 -0.23 -0.05 -0.89 -2.11 0.00 0.00 174.94 171.79 1n36 s THR 63 N -2.22 0.77 0.36 4.00 2.01 -1.26 -3.92 115.64 115.39 1n36 s THR 63 Ca 0.70 -1.97 0.08 0.00 0.31 0.00 0.00 61.69 60.80 1n36 s THR 63 Cb -0.24 -1.86 0.15 0.00 0.01 0.00 0.00 72.50 70.55 1n36 s THR 63 CO 0.44 -0.71 1.88 -0.08 -0.69 0.00 0.00 174.62 175.46 1n36 h GLU 64 N 2.84 0.32 -0.11 4.92 4.57 -1.95 -0.39 114.58 124.77 1n36 h GLU 64 Ca -0.36 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.57 1n36 h GLU 64 Cb 1.18 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1n36 h GLU 64 CO 0.64 0.45 -0.66 -2.95 -1.18 0.00 0.00 179.01 175.31 1n36 h ASN 65 N 0.30 0.51 -0.49 1.04 -1.07 -2.01 -2.64 115.58 111.22 1n36 h ASN 65 Ca 0.06 -0.31 -0.30 0.00 0.07 0.00 0.00 56.30 55.82 1n36 h ASN 65 Cb 0.41 -0.15 -0.12 0.00 -2.07 0.00 0.00 38.32 36.39 1n36 h ASN 65 CO 0.02 1.03 0.31 0.23 0.07 0.00 0.00 177.43 179.09 1n36 n MET 66 N -3.88 1.82 -0.07 4.14 2.81 -0.21 -4.21 117.12 117.52 1n36 n MET 66 Ca -0.04 -1.46 -0.09 0.00 -1.81 0.00 0.00 57.70 54.30 1n36 n MET 66 Cb 0.66 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 1n36 n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1n36 n VAL 67 N 0.73 1.41 -0.03 2.03 0.31 -0.88 -4.21 118.33 117.69 1n36 n VAL 67 Ca 0.30 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 1n36 n VAL 67 Cb 0.58 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1n36 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n36 n GLY 68 N 1.85 1.22 2.34 2.92 0.00 -1.26 -3.75 105.19 108.51 1n36 n GLY 68 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1n36 n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n36 n HIS 69 N 3.90 -1.29 -2.97 1.61 -0.00 -1.26 -5.06 115.22 110.16 1n36 n HIS 69 Ca 0.00 -1.53 -0.22 0.00 -0.00 0.00 0.00 57.72 55.97 1n36 n HIS 69 Cb 0.00 0.43 -0.03 0.00 -0.00 0.00 0.00 29.99 30.39 1n36 n HIS 69 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1n36 n LYS 70 N -0.39 2.22 0.00 -0.41 4.76 -1.26 -1.36 118.16 121.72 1n36 n LYS 70 Ca -0.01 -4.13 0.00 0.00 -2.87 0.00 0.00 58.31 51.30 1n36 n LYS 70 Cb 0.40 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 1n36 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n36 n LEU 71 N -0.06 0.00 -1.14 -0.35 4.77 -1.25 -3.63 117.00 115.34 1n36 n LEU 71 Ca 0.28 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1n36 n LEU 71 Cb 0.56 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.87 1n36 n LEU 71 CO 0.28 0.00 0.70 0.61 -1.33 0.00 0.00 177.39 177.65 1n36 n GLY 72 N 0.00 1.83 0.10 -0.72 0.00 -1.22 -3.84 105.19 101.33 1n36 n GLY 72 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.36 1n36 n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n36 n GLU 73 N 1.45 0.08 0.00 1.61 1.02 -1.24 0.36 120.64 123.92 1n36 n GLU 73 Ca 0.19 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.98 1n36 n GLU 73 Cb 0.59 -1.82 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1n36 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1n36 n PHE 74 N -1.93 0.00 -3.08 -0.32 3.01 -1.25 -4.77 117.46 109.13 1n36 n PHE 74 Ca -0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.00 1n36 n PHE 74 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1n36 n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n36 s ALA 75 N -2.61 3.57 -0.44 4.37 0.00 1.11 -5.01 121.76 122.75 1n36 s ALA 75 Ca 0.07 -2.77 -0.28 0.00 0.00 0.00 0.00 51.96 48.98 1n36 s ALA 75 Cb 0.13 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1n36 s ALA 75 CO 0.70 -2.64 1.71 -1.25 0.00 0.00 0.00 175.76 174.28 1n36 s PRO 76 N 2.03 3.20 0.00 0.00 0.04 -1.26 -4.90 135.00 134.11 1n36 s PRO 76 Ca 0.24 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1n36 s PRO 76 Cb -0.11 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1n36 s PRO 76 CO -0.05 -2.03 0.00 0.25 0.04 0.00 0.00 177.00 175.21 1n36 n THR 77 N 7.25 0.00 -0.18 1.26 -2.24 -1.26 -4.89 114.28 114.22 1n36 n THR 77 Ca 0.20 0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1n36 n THR 77 Cb 0.49 -1.00 0.08 0.00 -2.10 0.00 0.00 70.33 67.79 1n36 n THR 77 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1n36 n ARG 78 N 0.00 -1.37 -4.68 -0.78 1.85 -1.26 -5.04 116.66 105.37 1n36 n ARG 78 Ca 0.00 -0.41 -0.23 0.00 -1.00 0.00 0.00 57.85 56.21 1n36 n ARG 78 Cb 0.00 -0.69 -0.15 0.00 -1.05 0.00 0.00 32.46 30.57 1n36 n ARG 78 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n36 s THR 79 N -1.26 1.17 0.00 8.89 2.01 -1.26 -5.15 115.64 120.05 1n36 s THR 79 Ca 0.19 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1n36 s THR 79 Cb -0.03 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1n36 s THR 79 CO 0.16 0.34 0.00 0.00 -0.69 0.00 0.00 174.62 174.42 1n36 n TYR 80 N 2.88 0.00 0.09 4.92 9.36 -1.26 -5.31 117.16 127.84 1n36 n TYR 80 Ca -0.16 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.07 1n36 n TYR 80 Cb 0.54 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.30 1n36 n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95