#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n SER 3 N 0.00 0.00 -2.78 2.89 3.41 -1.26 -5.05 113.62 110.83 3i21 n SER 3 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3i21 n SER 3 Cb 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3i21 n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i21 n LEU 4 N -1.85 0.00 0.00 1.04 4.32 -1.26 -5.12 117.00 114.13 3i21 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i21 n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i21 n LEU 4 CO 0.00 0.00 0.00 2.29 -1.22 0.00 0.00 177.39 178.46 3i21 n LYS 5 N 0.00 3.85 -1.81 3.23 -0.00 -1.26 -4.98 118.16 117.20 3i21 n LYS 5 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 3i21 n LYS 5 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 3i21 n LYS 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i21 s LYS 6 N 3.18 2.24 0.00 -1.58 3.01 -1.26 -4.34 119.74 120.99 3i21 s LYS 6 Ca 0.00 0.62 0.00 0.00 -1.01 0.00 0.00 55.97 55.58 3i21 s LYS 6 Cb 0.00 -4.67 0.00 0.00 -1.01 0.00 0.00 37.83 32.15 3i21 s LYS 6 CO 0.00 -3.38 0.00 0.41 0.51 0.00 0.00 175.35 172.89 3i21 n GLY 7 N 6.26 1.79 3.68 -3.33 0.00 -1.26 -5.03 105.19 107.29 3i21 n GLY 7 Ca 0.35 -0.86 -0.49 0.00 0.00 0.00 0.00 46.02 45.02 3i21 n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i21 n PRO 8 N 0.78 2.03 -1.69 1.61 -0.02 -1.26 -4.88 135.00 131.57 3i21 n PRO 8 Ca 0.00 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 3i21 n PRO 8 Cb 0.00 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 3i21 n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i21 n PHE 9 N 5.72 2.24 -4.29 6.00 -0.00 -1.26 -5.01 117.46 120.86 3i21 n PHE 9 Ca 0.22 0.49 -0.16 0.00 -0.00 0.00 0.00 57.45 58.00 3i21 n PHE 9 Cb 0.27 -2.44 -0.10 0.00 -0.00 0.00 0.00 39.48 37.22 3i21 n PHE 9 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i21 s ILE 10 N -0.61 0.24 0.42 -2.13 1.09 -1.26 -4.66 121.20 114.30 3i21 s ILE 10 Ca 0.61 -2.00 0.04 0.00 -1.10 0.00 0.00 60.65 58.20 3i21 s ILE 10 Cb -0.60 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 3i21 s ILE 10 CO 0.56 0.00 0.05 -1.81 -0.10 0.00 0.00 174.94 173.64 3i21 s ASP 11 N -3.30 3.38 -0.10 3.58 1.11 -1.26 -5.08 116.67 115.00 3i21 s ASP 11 Ca 0.38 -1.54 -0.16 0.00 0.18 0.00 0.00 52.55 51.41 3i21 s ASP 11 Cb 0.06 0.18 -0.27 0.00 1.07 0.00 0.00 42.92 43.96 3i21 s ASP 11 CO 0.16 -0.73 0.58 0.25 1.18 0.00 0.00 175.17 176.61 3i21 h LEU 12 N 1.71 0.38 -0.09 1.23 7.12 -2.02 -3.39 115.31 120.25 3i21 h LEU 12 Ca -0.41 -0.86 -0.01 0.00 0.13 0.00 0.00 57.88 56.74 3i21 h LEU 12 Cb 1.27 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.28 3i21 h LEU 12 CO 0.71 1.60 0.04 1.12 -0.13 0.00 0.00 178.44 181.77 3i21 h HIS 13 N -0.32 0.14 0.00 1.25 2.07 -1.99 -2.93 115.15 113.36 3i21 h HIS 13 Ca -0.29 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 3i21 h HIS 13 Cb 1.74 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.68 3i21 h HIS 13 CO 0.13 0.24 0.00 1.47 -3.07 0.00 0.00 177.93 176.70 3i21 n LEU 14 N -4.93 0.14 0.08 6.12 -0.00 -1.26 -0.65 117.00 116.50 3i21 n LEU 14 Ca -0.06 0.56 -0.04 0.00 -0.00 0.00 0.00 56.01 56.47 3i21 n LEU 14 Cb 0.11 -0.57 -0.06 0.00 -0.00 0.00 0.00 43.42 42.90 3i21 n LEU 14 CO 0.34 -0.56 0.25 0.25 -0.00 0.00 0.00 177.39 177.67 3i21 h LEU 15 N 0.00 0.00 -2.42 1.47 6.46 -1.70 -2.83 115.31 116.29 3i21 h LEU 15 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3i21 h LEU 15 Cb 0.05 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3i21 h LEU 15 CO 0.00 0.86 0.06 0.29 -0.62 0.00 0.00 178.44 179.03 3i21 n LYS 16 N -3.37 2.74 0.00 1.25 5.02 0.18 -2.18 118.16 121.79 3i21 n LYS 16 Ca 0.00 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 3i21 n LYS 16 Cb 0.86 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3i21 n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i21 n LYS 17 N 0.20 0.00 -0.04 1.97 4.76 -1.18 -4.55 118.16 119.32 3i21 n LYS 17 Ca 0.17 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.47 3i21 n LYS 17 Cb 0.80 -0.85 -0.14 0.00 -1.84 0.00 0.00 35.03 32.99 3i21 n LYS 17 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3i21 n VAL 18 N -2.39 1.63 0.59 -0.18 3.14 -1.08 -3.14 118.33 116.89 3i21 n VAL 18 Ca 0.00 -0.73 0.12 0.00 -2.96 0.00 0.00 64.34 60.77 3i21 n VAL 18 Cb 0.41 -1.24 0.46 0.00 -1.06 0.00 0.00 33.84 32.41 3i21 n VAL 18 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i21 n GLU 19 N -3.18 0.17 0.08 1.45 -0.58 -0.93 -2.36 120.64 115.29 3i21 n GLU 19 Ca -0.28 0.26 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 3i21 n GLU 19 Cb 1.06 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.12 3i21 n GLU 19 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3i21 h LYS 20 N 0.00 0.37 0.00 3.49 3.11 -1.72 -3.12 116.57 118.69 3i21 h LYS 20 Ca 0.00 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3i21 h LYS 20 Cb 0.52 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 3i21 h LYS 20 CO 0.00 1.12 0.00 0.00 -2.81 0.00 0.00 179.45 177.76 3i21 n ALA 21 N -2.53 2.46 0.13 5.00 0.00 -1.00 -3.41 120.51 121.17 3i21 n ALA 21 Ca -0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 3i21 n ALA 21 Cb 0.87 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 3i21 n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i21 h VAL 22 N 0.00 0.55 -1.45 0.00 2.07 -1.53 -3.02 116.25 112.86 3i21 h VAL 22 Ca 0.00 -0.81 -0.69 0.00 0.82 0.00 0.00 66.70 66.02 3i21 h VAL 22 Cb 0.00 0.88 -0.31 0.00 -1.52 0.00 0.00 31.29 30.34 3i21 h VAL 22 CO 0.00 0.13 0.60 -0.62 0.02 0.00 0.00 177.57 177.70 3i21 n GLU 23 N -5.06 2.89 0.03 1.57 4.71 -1.22 -4.66 120.64 118.91 3i21 n GLU 23 Ca -0.08 -3.61 0.00 0.00 -0.01 0.00 0.00 57.16 53.45 3i21 n GLU 23 Cb 0.26 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 3i21 n GLU 23 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3i21 n SER 24 N -0.69 -0.39 0.00 1.62 2.88 -1.22 -5.10 113.62 110.72 3i21 n SER 24 Ca 0.55 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 3i21 n SER 24 Cb 0.51 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 3i21 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i21 n GLY 25 N 0.08 0.52 3.76 0.46 0.00 -1.14 -5.04 105.19 103.82 3i21 n GLY 25 Ca 0.00 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 3i21 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i21 s ASP 26 N -4.00 5.60 0.19 1.61 -1.08 -1.26 -4.84 116.67 112.89 3i21 s ASP 26 Ca 0.00 2.90 0.02 0.00 -0.52 0.00 0.00 52.55 54.94 3i21 s ASP 26 Cb 0.00 -2.65 -0.01 0.00 -1.46 0.00 0.00 42.92 38.81 3i21 s ASP 26 CO 0.00 -1.36 0.22 0.29 0.52 0.00 0.00 175.17 174.84 3i21 n LYS 27 N -0.53 0.31 -3.56 4.34 5.02 -1.26 -5.18 118.16 117.31 3i21 n LYS 27 Ca 0.07 -1.72 -0.20 0.00 -2.02 0.00 0.00 58.31 54.44 3i21 n LYS 27 Cb 0.43 1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 36.95 3i21 n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i21 s LYS 28 N -2.60 3.23 -0.55 1.97 -0.14 -1.26 -4.79 119.74 115.60 3i21 s LYS 28 Ca 0.19 -0.85 -0.25 0.00 -1.36 0.00 0.00 55.97 53.71 3i21 s LYS 28 Cb 0.00 -2.80 -0.14 0.00 -1.68 0.00 0.00 37.83 33.21 3i21 s LYS 28 CO 0.14 0.14 1.69 -2.30 -0.76 0.00 0.00 175.35 174.26 3i21 n PRO 29 N -1.63 0.00 -2.29 -1.68 -0.02 -1.26 -4.79 135.00 123.33 3i21 n PRO 29 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 3i21 n PRO 29 Cb 0.58 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.99 3i21 n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i21 s LEU 30 N 5.32 3.31 0.23 2.45 1.02 -0.87 -4.65 118.68 125.50 3i21 s LEU 30 Ca 0.89 -0.90 -0.32 0.00 0.02 0.00 0.00 54.13 53.82 3i21 s LEU 30 Cb -0.93 -2.56 -0.13 0.00 0.02 0.00 0.00 46.19 42.60 3i21 s LEU 30 CO 0.38 -2.16 1.61 -2.11 0.02 0.00 0.00 176.35 174.09 3i21 n ARG 31 N 8.93 2.50 -3.76 1.70 1.85 -1.26 -2.14 116.66 124.47 3i21 n ARG 31 Ca 0.33 0.89 -0.14 0.00 -1.00 0.00 0.00 57.85 57.94 3i21 n ARG 31 Cb 0.49 -2.68 -0.15 0.00 -1.05 0.00 0.00 32.46 29.08 3i21 n ARG 31 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i21 s THR 32 N 0.59 -0.05 -0.71 8.89 -1.32 -0.14 -4.91 115.64 118.00 3i21 s THR 32 Ca 0.72 0.17 0.13 0.00 -1.21 0.00 0.00 61.69 61.50 3i21 s THR 32 Cb -0.57 -0.20 0.67 0.00 -1.51 0.00 0.00 72.50 70.89 3i21 s THR 32 CO 0.41 0.07 1.54 0.79 -2.21 0.00 0.00 174.62 175.22 3i21 n TRP 33 N 4.07 1.58 -1.78 9.09 8.01 -1.26 -2.97 117.44 134.17 3i21 n TRP 33 Ca -0.25 -0.57 -0.28 0.00 -1.31 0.00 0.00 57.50 55.09 3i21 n TRP 33 Cb 0.52 -0.36 0.04 0.00 -2.01 0.00 0.00 31.31 29.51 3i21 n TRP 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3i21 n SER 34 N 0.71 5.91 -3.53 -0.99 7.64 -1.26 -4.91 113.62 117.19 3i21 n SER 34 Ca 0.23 -3.76 -0.41 0.00 1.01 0.00 0.00 58.87 55.94 3i21 n SER 34 Cb 0.94 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 3i21 n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i21 n ARG 35 N -0.78 1.06 0.00 1.43 1.85 -1.26 -3.15 116.66 115.80 3i21 n ARG 35 Ca 0.51 -1.52 0.00 0.00 -1.00 0.00 0.00 57.85 55.84 3i21 n ARG 35 Cb 0.86 -2.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 3i21 n ARG 35 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i21 n ARG 36 N 7.00 1.80 -4.06 2.89 0.63 -1.26 -2.05 116.66 121.60 3i21 n ARG 36 Ca 0.46 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 57.16 3i21 n ARG 36 Cb 0.37 -0.15 -0.04 0.00 0.45 0.00 0.00 32.46 33.09 3i21 n ARG 36 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i21 s SER 37 N 0.00 5.75 1.27 6.15 0.15 -1.19 -4.69 113.70 121.15 3i21 s SER 37 Ca 0.00 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.36 3i21 s SER 37 Cb 0.00 -1.55 0.32 0.00 -1.71 0.00 0.00 66.02 63.08 3i21 s SER 37 CO 0.00 -0.00 0.99 0.28 1.20 0.00 0.00 173.24 175.71 3i21 s THR 38 N -1.95 1.64 -0.41 6.45 -1.32 -1.26 -1.04 115.64 117.73 3i21 s THR 38 Ca 0.33 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.90 3i21 s THR 38 Cb -0.09 -2.13 0.42 0.00 -1.51 0.00 0.00 72.50 69.19 3i21 s THR 38 CO 0.26 0.00 1.02 2.30 -2.21 0.00 0.00 174.62 175.99 3i21 n ILE 39 N -5.19 1.89 -0.73 5.08 -5.35 -1.03 -4.67 119.36 109.37 3i21 n ILE 39 Ca 0.08 -4.43 -0.15 0.00 -0.27 0.00 0.00 62.75 57.98 3i21 n ILE 39 Cb 0.57 -0.65 0.12 0.00 -1.74 0.00 0.00 39.64 37.95 3i21 n ILE 39 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3i21 n PHE 40 N -0.29 -3.40 -0.15 4.28 3.01 -0.97 -4.34 117.46 115.61 3i21 n PHE 40 Ca 0.28 -0.48 -0.13 0.00 1.01 0.00 0.00 57.45 58.14 3i21 n PHE 40 Cb 0.68 -0.56 -0.09 0.00 -0.01 0.00 0.00 39.48 39.50 3i21 n PHE 40 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3i21 h PRO 41 N 0.00 -0.32 -0.83 -1.08 0.13 -1.92 -0.65 132.00 127.33 3i21 h PRO 41 Ca -0.20 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.14 3i21 h PRO 41 Cb 0.61 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.67 3i21 h PRO 41 CO 0.13 -0.22 -0.09 -0.91 -0.23 0.00 0.00 178.00 176.69 3i21 h ASN 42 N -0.34 -0.56 -0.10 1.44 4.21 -1.99 -2.55 115.58 115.69 3i21 h ASN 42 Ca 0.07 0.23 -0.68 0.00 1.21 0.00 0.00 56.30 57.14 3i21 h ASN 42 Cb 0.53 0.44 -0.02 0.00 -1.12 0.00 0.00 38.32 38.16 3i21 h ASN 42 CO -0.57 -0.25 2.75 0.23 -1.29 0.00 0.00 177.43 178.30 3i21 n MET 43 N -5.45 2.47 -4.20 0.81 2.81 -0.25 -4.89 117.12 108.41 3i21 n MET 43 Ca 0.14 -2.45 -0.16 0.00 -1.81 0.00 0.00 57.70 53.42 3i21 n MET 43 Cb 0.50 -3.23 -0.13 0.00 -0.71 0.00 0.00 33.22 29.65 3i21 n MET 43 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3i21 s ILE 44 N 4.08 0.62 0.00 2.02 2.07 -0.96 -4.41 121.20 124.62 3i21 s ILE 44 Ca 0.51 -0.62 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3i21 s ILE 44 Cb 0.13 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.14 3i21 s ILE 44 CO -0.01 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 3i21 n GLY 45 N 2.34 1.37 0.74 1.50 0.00 -1.19 -4.94 105.19 105.01 3i21 n GLY 45 Ca -0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3i21 n GLY 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i21 n LEU 46 N 0.00 0.00 -4.50 0.99 -0.00 -1.26 -4.44 117.00 107.80 3i21 n LEU 46 Ca 0.00 -0.20 -0.34 0.00 -0.00 0.00 0.00 56.01 55.47 3i21 n LEU 46 Cb 0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 43.42 43.07 3i21 n LEU 46 CO 0.00 -1.80 -0.32 0.42 -0.00 0.00 0.00 177.39 175.69 3i21 s THR 47 N -1.23 4.09 -0.31 1.47 -4.23 -1.26 -4.49 115.64 109.67 3i21 s THR 47 Ca 0.15 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3i21 s THR 47 Cb -0.03 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 71.09 3i21 s THR 47 CO 0.13 0.45 0.15 -0.63 -0.54 0.00 0.00 174.62 174.18 3i21 s ILE 48 N 0.71 0.11 -0.80 2.99 1.01 -1.26 -2.04 121.20 121.91 3i21 s ILE 48 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 3i21 s ILE 48 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3i21 s ILE 48 CO 0.02 -0.80 1.69 0.00 0.00 0.00 0.00 174.94 175.85 3i21 s ALA 49 N 1.73 2.23 0.14 9.38 0.00 -0.91 -3.42 121.76 130.91 3i21 s ALA 49 Ca 0.12 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 3i21 s ALA 49 Cb -0.18 -4.42 -0.07 0.00 0.00 0.00 0.00 23.12 18.45 3i21 s ALA 49 CO -0.24 -4.00 0.52 0.14 0.00 0.00 0.00 175.76 172.17 3i21 s VAL 50 N 7.93 4.92 0.94 0.00 -7.23 0.66 -0.96 120.40 126.66 3i21 s VAL 50 Ca 0.58 0.69 -0.11 0.00 -1.81 0.00 0.00 61.98 61.33 3i21 s VAL 50 Cb -0.07 -3.70 0.10 0.00 0.56 0.00 0.00 36.38 33.27 3i21 s VAL 50 CO 0.07 0.21 0.80 1.57 -0.31 0.00 0.00 175.10 177.44 3i21 n HIS 51 N 0.69 -0.22 -1.98 2.82 -0.00 -1.16 0.16 115.22 115.53 3i21 n HIS 51 Ca -0.05 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.45 3i21 n HIS 51 Cb 0.52 -1.90 0.00 0.00 -0.12 0.00 0.00 29.99 28.49 3i21 n HIS 51 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3i21 n ASN 52 N -2.93 0.00 0.00 0.26 2.04 -1.06 -4.71 115.26 108.87 3i21 n ASN 52 Ca 0.09 -1.80 0.00 0.00 -0.44 0.00 0.00 54.58 52.43 3i21 n ASN 52 Cb 0.53 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.62 3i21 n ASN 52 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i21 n GLY 53 N 0.00 0.65 1.84 4.83 0.00 -1.26 -4.21 105.19 107.05 3i21 n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i21 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i21 n ARG 54 N -1.15 0.00 0.00 1.61 0.00 -1.26 -5.14 116.66 110.72 3i21 n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i21 n ARG 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3i21 n ARG 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i21 n GLN 55 N -2.67 2.59 -3.74 2.89 0.00 -1.26 -5.04 117.38 110.15 3i21 n GLN 55 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 3i21 n GLN 55 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 3i21 n GLN 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3i21 s HIS 56 N 1.57 1.55 -0.24 3.69 3.76 -1.26 -2.56 115.29 121.79 3i21 s HIS 56 Ca 0.00 -1.52 -0.19 0.00 -0.15 0.00 0.00 55.06 53.20 3i21 s HIS 56 Cb 0.00 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3i21 s HIS 56 CO 0.00 -0.82 0.54 0.14 -0.85 0.00 0.00 174.74 173.75 3i21 s VAL 57 N 1.68 5.06 -1.43 -0.90 -7.23 0.12 -4.55 120.40 113.14 3i21 s VAL 57 Ca 0.07 0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 61.06 3i21 s VAL 57 Cb -0.17 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 32.91 3i21 s VAL 57 CO -0.21 0.10 2.36 -0.81 -0.31 0.00 0.00 175.10 176.22 3i21 n PRO 58 N 5.38 2.91 -1.72 4.82 -0.04 -1.25 -0.24 135.00 144.85 3i21 n PRO 58 Ca -0.03 -2.44 -0.38 0.00 -0.04 0.00 0.00 63.50 60.60 3i21 n PRO 58 Cb 0.50 -3.15 0.05 0.00 -0.04 0.00 0.00 33.50 30.86 3i21 n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i21 n VAL 59 N 4.84 4.04 -2.51 0.52 0.24 -1.22 -4.59 118.33 119.65 3i21 n VAL 59 Ca 0.57 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 62.06 3i21 n VAL 59 Cb 0.35 -1.56 -0.02 0.00 -1.47 0.00 0.00 33.84 31.14 3i21 n VAL 59 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3i21 s PHE 60 N -1.33 3.50 -0.08 6.34 5.36 -1.26 -4.27 117.98 126.23 3i21 s PHE 60 Ca 0.74 1.21 0.05 0.00 -0.96 0.00 0.00 56.93 57.97 3i21 s PHE 60 Cb -0.41 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 39.66 3i21 s PHE 60 CO 0.47 -0.31 -0.24 0.08 -1.46 0.00 0.00 175.22 173.76 3i21 s VAL 61 N -2.63 2.00 0.33 3.12 1.01 -1.26 -5.01 120.40 117.95 3i21 s VAL 61 Ca 0.54 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3i21 s VAL 61 Cb -0.10 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3i21 s VAL 61 CO 0.36 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 175.05 3i21 s THR 62 N 0.18 2.03 -2.00 3.92 2.01 -1.26 -3.17 115.64 117.35 3i21 s THR 62 Ca -0.13 -2.16 0.25 0.00 0.31 0.00 0.00 61.69 59.95 3i21 s THR 62 Cb -0.16 -2.63 0.70 0.00 0.01 0.00 0.00 72.50 70.43 3i21 s THR 62 CO 0.07 -0.21 1.85 -0.67 -0.69 0.00 0.00 174.62 174.97 3i21 n ASP 63 N -0.75 0.00 -0.74 3.53 4.64 -1.26 -2.40 116.55 119.58 3i21 n ASP 63 Ca -0.05 -0.82 0.10 0.00 -1.38 0.00 0.00 54.79 52.65 3i21 n ASP 63 Cb 0.64 0.00 0.31 0.00 -1.04 0.00 0.00 41.12 41.03 3i21 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3i21 n GLU 64 N -0.99 1.97 -3.63 -0.67 1.02 -1.26 -4.63 120.64 112.46 3i21 n GLU 64 Ca 0.19 -1.46 -0.29 0.00 -0.02 0.00 0.00 57.16 55.57 3i21 n GLU 64 Cb 0.09 -1.42 -0.15 0.00 -0.02 0.00 0.00 31.44 29.94 3i21 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i21 s MET 65 N -1.68 0.42 -0.10 3.49 0.23 -1.01 -5.04 119.30 115.61 3i21 s MET 65 Ca 0.33 -0.74 -0.10 0.00 -1.03 0.00 0.00 55.69 54.15 3i21 s MET 65 Cb 0.19 -1.55 -0.03 0.00 -1.53 0.00 0.00 34.83 31.90 3i21 s MET 65 CO 0.27 -0.99 -0.20 0.28 -2.03 0.00 0.00 175.02 172.35 3i21 n VAL 66 N 5.08 0.88 -1.39 5.16 0.31 -1.26 -4.63 118.33 122.47 3i21 n VAL 66 Ca -0.04 0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 64.23 3i21 n VAL 66 Cb 0.42 -2.00 0.08 0.00 -0.91 0.00 0.00 33.84 31.43 3i21 n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i21 n GLY 67 N 1.49 5.89 3.31 2.92 0.00 -1.26 -2.29 105.19 115.24 3i21 n GLY 67 Ca -0.08 -2.33 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 3i21 n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i21 s HIS 68 N -3.83 2.78 0.49 1.61 4.02 -1.26 -4.86 115.29 114.24 3i21 s HIS 68 Ca 0.64 -0.84 -0.08 0.00 1.02 0.00 0.00 55.06 55.79 3i21 s HIS 68 Cb 0.50 -1.86 0.12 0.00 -1.02 0.00 0.00 32.58 30.33 3i21 s HIS 68 CO -0.03 -0.34 0.37 1.63 1.02 0.00 0.00 174.74 177.39 3i21 n LYS 69 N 3.77 -2.27 0.12 1.40 4.76 -1.26 -2.47 118.16 122.21 3i21 n LYS 69 Ca -0.19 -0.61 0.12 0.00 -2.87 0.00 0.00 58.31 54.77 3i21 n LYS 69 Cb 0.52 -0.64 0.12 0.00 -1.84 0.00 0.00 35.03 33.19 3i21 n LYS 69 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i21 h LEU 70 N 0.00 0.00 -0.83 -0.35 3.38 -1.31 -3.07 115.31 113.12 3i21 h LEU 70 Ca -0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i21 h LEU 70 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i21 h LEU 70 CO 0.09 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3i21 n GLY 71 N 1.21 -0.07 0.00 0.83 0.00 -0.87 -3.50 105.19 102.79 3i21 n GLY 71 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i21 n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i21 n GLU 72 N 0.03 0.00 0.08 1.61 0.00 -1.16 -4.05 120.64 117.15 3i21 n GLU 72 Ca 0.17 0.19 0.20 0.00 0.00 0.00 0.00 57.16 57.72 3i21 n GLU 72 Cb 0.29 -0.70 0.75 0.00 0.00 0.00 0.00 31.44 31.77 3i21 n GLU 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 3i21 h PHE 73 N 0.00 0.00 -2.59 4.31 -1.00 -1.76 -3.41 116.94 112.49 3i21 h PHE 73 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 3i21 h PHE 73 Cb 0.00 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.58 3i21 h PHE 73 CO 0.00 0.00 1.07 0.00 -1.61 0.00 0.00 178.31 177.78 3i21 s ALA 74 N -4.69 3.67 -0.87 2.45 0.00 -1.23 -4.87 121.76 116.22 3i21 s ALA 74 Ca -0.04 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 3i21 s ALA 74 Cb 0.16 -3.74 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3i21 s ALA 74 CO 0.58 -1.26 2.02 -2.30 0.00 0.00 0.00 175.76 174.80 3i21 n PRO 75 N 6.24 1.81 -0.34 0.00 -0.02 -1.26 -4.75 135.00 136.67 3i21 n PRO 75 Ca 0.17 -1.74 0.13 0.00 -2.02 0.00 0.00 63.50 60.03 3i21 n PRO 75 Cb 0.41 -2.76 0.26 0.00 -0.02 0.00 0.00 33.50 31.38 3i21 n PRO 75 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i21 h THR 76 N 4.05 0.03 -2.57 3.45 1.35 -1.85 -3.41 112.91 113.96 3i21 h THR 76 Ca 0.46 -0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.81 3i21 h THR 76 Cb 0.47 0.02 -0.14 0.00 -1.73 0.00 0.00 68.15 66.78 3i21 h THR 76 CO 1.77 0.00 -0.67 0.00 -0.25 0.00 0.00 175.52 176.37 3i21 s ARG 77 N -6.05 1.59 0.35 4.72 1.70 -1.26 -4.02 118.95 115.99 3i21 s ARG 77 Ca -0.13 -1.82 -0.03 0.00 -0.47 0.00 0.00 55.73 53.28 3i21 s ARG 77 Cb 0.28 -1.19 0.01 0.00 -0.57 0.00 0.00 34.95 33.48 3i21 s ARG 77 CO 0.78 0.03 0.51 0.25 -1.08 0.00 0.00 175.30 175.78 3i21 n THR 78 N -0.62 0.00 -1.93 4.99 -2.24 -1.26 -5.13 114.28 108.09 3i21 n THR 78 Ca -0.05 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 3i21 n THR 78 Cb 0.64 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 3i21 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i21 n TYR 79 N -0.57 0.00 -0.95 4.78 -0.00 -1.26 -5.28 117.16 113.87 3i21 n TYR 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3i21 n TYR 79 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 3i21 n TYR 79 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40