#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 n SER 2 N 0.00 0.48 0.00 0.00 2.88 -1.26 -5.11 113.62 110.61 1v54 n SER 2 Ca 0.00 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1v54 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1v54 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v54 n ALA 3 N -0.08 0.00 0.00 -1.46 0.00 -1.26 -4.40 120.51 113.31 1v54 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v54 n ALA 3 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1v54 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v54 n ALA 4 N 2.38 0.00 -2.48 0.00 0.00 -1.26 -5.14 120.51 114.01 1v54 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v54 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1v54 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v54 n LYS 5 N 0.00 0.42 0.08 0.00 5.02 -1.26 -5.15 118.16 117.27 1v54 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1v54 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1v54 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v54 n GLY 6 N 5.00 -1.71 0.00 0.72 0.00 -1.26 -5.11 105.19 102.83 1v54 n GLY 6 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1v54 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v54 n ASP 7 N -2.88 0.00 0.00 1.61 -0.08 -1.26 -4.71 116.55 109.23 1v54 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1v54 n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1v54 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1v54 n HIS 8 N 0.00 0.00 0.51 -0.67 8.25 -1.26 -4.59 115.22 117.46 1v54 n HIS 8 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1v54 n HIS 8 Cb 0.00 -0.72 0.37 0.00 1.12 0.00 0.00 29.99 30.76 1v54 n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v54 n GLY 9 N -0.18 -1.11 0.00 -1.41 0.00 -1.26 -5.15 105.19 96.07 1v54 n GLY 9 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1v54 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 10 N 0.12 -1.40 0.00 -0.02 0.00 -1.26 -5.31 105.19 97.32 1v54 n GLY 10 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1v54 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 12 N -0.03 -0.65 0.29 -0.02 0.00 -1.26 -4.91 105.19 98.62 1v54 n GLY 12 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1v54 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v54 h ALA 13 N 0.00 1.02 -0.67 4.61 0.00 -2.05 -1.67 119.26 120.50 1v54 h ALA 13 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1v54 h ALA 13 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1v54 h ALA 13 CO 0.00 0.24 0.28 -0.09 0.00 0.00 0.00 179.25 179.68 1v54 h ARG 14 N 0.90 0.98 -0.34 0.00 2.43 -1.99 -0.67 114.38 115.68 1v54 h ARG 14 Ca 0.32 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1v54 h ARG 14 Cb 0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1v54 h ARG 14 CO -0.14 0.79 -0.12 1.15 -1.51 0.00 0.00 179.97 180.14 1v54 h THR 15 N 0.96 1.28 0.00 0.20 2.02 -1.76 -1.50 112.91 114.11 1v54 h THR 15 Ca 0.23 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 1v54 h THR 15 Cb 0.17 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1v54 h THR 15 CO -0.02 0.39 -0.42 -0.50 0.37 0.00 0.00 175.52 175.34 1v54 h TRP 16 N 0.45 0.00 -0.22 3.16 4.06 -0.98 -0.55 115.95 121.88 1v54 h TRP 16 Ca 0.08 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.85 1v54 h TRP 16 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1v54 h TRP 16 CO 0.05 0.42 -0.56 -0.09 -3.56 0.00 0.00 178.44 174.71 1v54 h ARG 17 N 0.00 0.77 -0.57 0.49 2.43 -1.05 -0.93 114.38 115.53 1v54 h ARG 17 Ca -0.00 -0.53 0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1v54 h ARG 17 Cb 0.84 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1v54 h ARG 17 CO 0.05 1.16 0.33 0.35 -1.51 0.00 0.00 179.97 180.35 1v54 h PHE 18 N 0.51 0.61 -0.33 2.20 -0.00 -0.86 -1.30 116.94 117.78 1v54 h PHE 18 Ca -0.01 0.02 -0.09 0.00 -0.00 0.00 0.00 57.97 57.89 1v54 h PHE 18 Cb 1.17 -0.19 -0.02 0.00 -0.00 0.00 0.00 35.95 36.92 1v54 h PHE 18 CO 0.08 0.33 -0.19 -0.07 -0.00 0.00 0.00 178.31 178.46 1v54 h LEU 19 N 0.64 0.60 0.11 0.59 3.38 -0.97 0.17 115.31 119.83 1v54 h LEU 19 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1v54 h LEU 19 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1v54 h LEU 19 CO -0.13 0.80 -0.05 0.74 0.09 0.00 0.00 178.44 179.89 1v54 h THR 20 N 0.54 0.96 0.00 0.22 2.02 -0.29 -0.64 112.91 115.72 1v54 h THR 20 Ca 0.09 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 1v54 h THR 20 Cb 0.64 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1v54 h THR 20 CO 0.04 0.07 -1.05 -0.26 0.37 0.00 0.00 175.52 174.69 1v54 h PHE 21 N -0.27 0.00 0.00 3.16 0.05 -1.27 0.07 116.94 118.67 1v54 h PHE 21 Ca -0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1v54 h PHE 21 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 1v54 h PHE 21 CO -0.03 0.50 -1.40 0.41 -0.18 0.00 0.00 178.31 177.61 1v54 n GLY 22 N 1.32 -1.15 1.48 -1.45 0.00 0.60 -4.44 105.19 101.54 1v54 n GLY 22 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1v54 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1v54 n LEU 23 N -2.15 0.32 0.50 0.99 7.94 -0.66 -4.80 117.00 119.15 1v54 n LEU 23 Ca -0.01 0.19 -0.20 0.00 -1.11 0.00 0.00 56.01 54.88 1v54 n LEU 23 Cb 0.50 0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.36 1v54 n LEU 23 CO 0.43 -0.57 0.54 0.00 -1.11 0.00 0.00 177.39 176.68 1v54 h ALA 24 N 0.00 -1.27 -0.77 1.96 0.00 -1.16 -1.90 119.26 116.12 1v54 h ALA 24 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1v54 h ALA 24 Cb 0.21 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1v54 h ALA 24 CO 0.00 -1.21 0.32 -0.07 0.00 0.00 0.00 179.25 178.29 1v54 h LEU 25 N -1.30 1.05 -1.29 0.00 3.38 -1.22 -2.09 115.31 113.83 1v54 h LEU 25 Ca -0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1v54 h LEU 25 Cb 0.98 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1v54 h LEU 25 CO 0.21 0.92 0.26 -0.65 0.09 0.00 0.00 178.44 179.28 1v54 h PRO 26 N 1.11 0.75 -0.61 1.13 0.11 -1.77 0.40 132.00 133.13 1v54 h PRO 26 Ca 0.26 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1v54 h PRO 26 Cb 0.20 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1v54 h PRO 26 CO -0.02 0.58 0.20 0.77 -0.21 0.00 0.00 178.00 179.32 1v54 h SER 27 N 0.75 0.87 -0.41 -2.05 0.02 -0.84 -1.23 113.55 110.67 1v54 h SER 27 Ca 0.19 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1v54 h SER 27 Cb 0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1v54 h SER 27 CO -0.03 0.84 -0.09 0.58 -1.14 0.00 0.00 176.83 176.99 1v54 h VAL 28 N 0.86 1.26 -0.53 2.27 2.07 -0.80 -1.64 116.25 119.74 1v54 h VAL 28 Ca 0.20 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 1v54 h VAL 28 Cb 0.27 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1v54 h VAL 28 CO -0.01 0.41 -0.00 0.00 0.02 0.00 0.00 177.57 177.98 1v54 h ALA 29 N 1.13 0.99 -0.06 1.67 0.00 -0.53 -1.12 119.26 121.33 1v54 h ALA 29 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1v54 h ALA 29 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1v54 h ALA 29 CO 0.04 0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1v54 h LEU 30 N 0.84 0.12 -1.83 0.00 3.38 -1.05 -1.69 115.31 115.09 1v54 h LEU 30 Ca 0.16 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1v54 h LEU 30 Cb 0.50 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1v54 h LEU 30 CO 0.02 0.48 -0.13 0.00 0.09 0.00 0.00 178.44 178.90 1v54 h THR 32 N 0.00 1.40 0.31 0.00 2.02 -1.08 -0.83 112.91 114.74 1v54 h THR 32 Ca -0.00 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 64.97 1v54 h THR 32 Cb 0.27 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1v54 h THR 32 CO 0.02 0.65 -0.15 0.25 0.37 0.00 0.00 175.52 176.66 1v54 h LEU 33 N 0.21 -0.35 -0.29 2.58 7.12 -0.33 -1.55 115.31 122.71 1v54 h LEU 33 Ca -0.03 -0.19 0.06 0.00 0.13 0.00 0.00 57.88 57.85 1v54 h LEU 33 Cb 1.29 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 41.45 1v54 h LEU 33 CO 0.12 0.07 -0.09 -1.13 -0.13 0.00 0.00 178.44 177.28 1v54 h ASN 34 N -0.86 -0.32 -0.36 1.25 -0.73 -0.78 -2.91 115.58 110.88 1v54 h ASN 34 Ca -0.04 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 1v54 h ASN 34 Cb 0.52 0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1v54 h ASN 34 CO 0.07 -0.12 0.09 0.28 -0.37 0.00 0.00 177.43 177.38 1v54 h SER 35 N -0.03 0.54 -0.75 1.15 0.02 -1.20 -1.98 113.55 111.30 1v54 h SER 35 Ca 0.14 -0.23 -0.42 0.00 -0.84 0.00 0.00 61.79 60.44 1v54 h SER 35 Cb 0.24 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 62.50 1v54 h SER 35 CO -0.31 0.63 0.27 0.79 -1.14 0.00 0.00 176.83 177.06 1v54 n TRP 36 N -4.61 1.18 0.06 3.45 5.03 -0.58 -2.80 117.44 119.17 1v54 n TRP 36 Ca -0.01 -1.85 0.00 0.00 3.03 0.00 0.00 57.50 58.67 1v54 n TRP 36 Cb 0.20 -1.47 0.00 0.00 -1.03 0.00 0.00 31.31 29.01 1v54 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1v54 n LEU 37 N 1.39 -0.81 -0.15 -0.99 7.94 -1.13 -4.87 117.00 118.38 1v54 n LEU 37 Ca 0.48 0.23 0.04 0.00 -1.11 0.00 0.00 56.01 55.65 1v54 n LEU 37 Cb 0.64 0.99 0.22 0.00 0.53 0.00 0.00 43.42 45.80 1v54 n LEU 37 CO 0.29 -0.39 0.65 1.41 -1.11 0.00 0.00 177.39 178.24 1v54 n HIS 38 N -2.79 0.09 0.00 1.96 8.25 -0.76 -4.72 115.22 117.25 1v54 n HIS 38 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1v54 n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1v54 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1v54 n SER 39 N -0.36 0.00 -1.49 0.41 3.41 -1.12 -5.03 113.62 109.44 1v54 n SER 39 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1v54 n SER 39 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1v54 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v54 n GLY 40 N 1.58 -4.75 3.65 5.00 0.00 -1.26 -4.81 105.19 104.60 1v54 n GLY 40 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1v54 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v54 n HIS 41 N 0.83 2.39 -2.70 1.61 8.25 -1.26 -4.96 115.22 119.38 1v54 n HIS 41 Ca 0.00 -0.27 -0.40 0.00 -0.26 0.00 0.00 57.72 56.79 1v54 n HIS 41 Cb 0.00 -2.77 -0.05 0.00 1.12 0.00 0.00 29.99 28.29 1v54 n HIS 41 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1v54 s ARG 42 N 4.71 4.79 -0.19 -0.41 1.04 -1.26 -4.97 118.95 122.67 1v54 s ARG 42 Ca 0.92 1.53 -0.32 0.00 -1.04 0.00 0.00 55.73 56.83 1v54 s ARG 42 Cb -0.47 -3.29 -0.09 0.00 -2.04 0.00 0.00 34.95 29.07 1v54 s ARG 42 CO 0.43 0.40 2.11 -1.91 -0.04 0.00 0.00 175.30 176.29 1v54 n GLU 43 N 1.73 1.91 -1.69 3.89 0.00 -1.26 -4.90 120.64 120.31 1v54 n GLU 43 Ca -0.01 0.60 -0.44 0.00 0.00 0.00 0.00 57.16 57.31 1v54 n GLU 43 Cb 0.47 -2.88 -0.03 0.00 0.00 0.00 0.00 31.44 29.00 1v54 n GLU 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1v54 n ARG 44 N 7.97 2.24 -1.43 5.31 1.85 -1.26 -4.96 116.66 126.39 1v54 n ARG 44 Ca 0.30 0.80 -0.32 0.00 -1.00 0.00 0.00 57.85 57.63 1v54 n ARG 44 Cb 0.35 -2.52 0.08 0.00 -1.05 0.00 0.00 32.46 29.33 1v54 n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1v54 s PRO 45 N -0.12 2.32 0.49 2.89 0.04 -1.26 -4.97 135.00 134.39 1v54 s PRO 45 Ca 0.69 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 1v54 s PRO 45 Cb -0.61 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 1v54 s PRO 45 CO 0.46 -1.62 1.35 0.00 0.04 0.00 0.00 177.00 177.23 1v54 n ALA 46 N -3.03 1.65 -2.21 8.56 0.00 -1.26 -4.94 120.51 119.28 1v54 n ALA 46 Ca 0.11 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 1v54 n ALA 46 Cb 0.52 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1v54 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1v54 s PHE 47 N -1.24 3.83 -0.08 0.00 2.19 -1.26 -5.04 117.98 116.38 1v54 s PHE 47 Ca 0.66 1.74 -0.01 0.00 0.33 0.00 0.00 56.93 59.65 1v54 s PHE 47 Cb -0.45 -2.98 0.03 0.00 -1.31 0.00 0.00 43.02 38.31 1v54 s PHE 47 CO 0.54 0.27 -0.01 0.42 1.83 0.00 0.00 175.22 178.27 1v54 s ILE 48 N -0.23 0.46 -0.53 3.12 1.01 -1.26 -5.06 121.20 118.71 1v54 s ILE 48 Ca 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 1v54 s ILE 48 Cb -0.23 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 1v54 s ILE 48 CO 0.29 0.27 2.03 -2.65 0.00 0.00 0.00 174.94 174.88 1v54 n PRO 49 N 5.08 1.57 -1.76 2.79 -0.02 -1.26 -4.93 135.00 136.46 1v54 n PRO 49 Ca -0.08 -1.06 -0.41 0.00 -2.02 0.00 0.00 63.50 59.93 1v54 n PRO 49 Cb 0.50 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1v54 n PRO 49 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1v54 n TYR 50 N 3.73 2.90 0.54 6.00 4.01 -1.26 -4.90 117.16 128.18 1v54 n TYR 50 Ca 0.34 0.43 0.13 0.00 -0.16 0.00 0.00 57.90 58.63 1v54 n TYR 50 Cb 0.24 -2.53 0.43 0.00 -0.31 0.00 0.00 39.34 37.17 1v54 n TYR 50 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1v54 h HIS 51 N 3.22 0.00 -0.16 -0.72 3.86 -2.00 -3.09 115.15 116.26 1v54 h HIS 51 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1v54 h HIS 51 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1v54 h HIS 51 CO 0.54 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.94 1v54 n HIS 52 N -2.30 0.20 -4.55 2.45 1.44 -1.26 -4.86 115.22 106.33 1v54 n HIS 52 Ca 0.04 -0.10 -0.25 0.00 -2.01 0.00 0.00 57.72 55.40 1v54 n HIS 52 Cb 0.38 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.38 1v54 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1v54 s LEU 53 N -1.69 2.45 -1.58 2.39 1.43 -1.17 -4.77 118.68 115.75 1v54 s LEU 53 Ca 0.34 -1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 1v54 s LEU 53 Cb 0.19 -0.60 0.09 0.00 0.03 0.00 0.00 46.19 45.91 1v54 s LEU 53 CO 0.29 -0.59 0.68 0.54 0.23 0.00 0.00 176.35 177.50 1v54 n ARG 54 N -0.87 -3.50 -1.79 1.70 3.00 -1.26 -4.86 116.66 109.08 1v54 n ARG 54 Ca -0.05 0.41 -0.41 0.00 -0.01 0.00 0.00 57.85 57.79 1v54 n ARG 54 Cb 0.67 -4.94 -0.01 0.00 0.00 0.00 0.00 32.46 28.18 1v54 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1v54 s ILE 55 N -3.54 2.05 -0.36 0.55 -1.09 -1.26 -4.73 121.20 112.82 1v54 s ILE 55 Ca 0.47 0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1v54 s ILE 55 Cb -0.25 -3.03 0.15 0.00 -1.58 0.00 0.00 42.46 37.75 1v54 s ILE 55 CO 0.90 0.01 0.30 -0.13 -1.23 0.00 0.00 174.94 174.79 1v54 s ARG 56 N -1.49 0.58 -0.02 2.79 1.81 -1.26 -4.96 118.95 116.41 1v54 s ARG 56 Ca 0.57 -1.05 0.20 0.00 -1.72 0.00 0.00 55.73 53.72 1v54 s ARG 56 Cb -0.47 -0.99 -0.28 0.00 -0.45 0.00 0.00 34.95 32.77 1v54 s ARG 56 CO 0.57 -1.20 0.57 0.25 -0.68 0.00 0.00 175.30 174.81 1v54 n THR 57 N 4.19 0.00 -3.63 0.02 -2.24 -1.26 -4.95 114.28 106.41 1v54 n THR 57 Ca 0.11 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1v54 n THR 57 Cb 0.41 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1v54 n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1v54 s LYS 58 N -3.20 0.79 0.51 -0.78 2.20 -1.26 -5.15 119.74 112.84 1v54 s LYS 58 Ca -0.02 1.08 -0.22 0.00 -0.36 0.00 0.00 55.97 56.44 1v54 s LYS 58 Cb 0.13 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.71 1v54 s LYS 58 CO 0.82 -0.12 1.25 -1.25 -0.36 0.00 0.00 175.35 175.69 1v54 s PRO 59 N 0.81 3.42 0.57 4.03 0.04 -1.26 -4.97 135.00 137.64 1v54 s PRO 59 Ca -0.03 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 1v54 s PRO 59 Cb -0.05 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1v54 s PRO 59 CO -0.06 -0.88 1.28 -0.06 0.04 0.00 0.00 177.00 177.32 1v54 s PHE 60 N -1.45 2.35 -0.58 0.56 0.40 -0.57 -4.89 117.98 113.80 1v54 s PHE 60 Ca 0.68 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 58.47 1v54 s PHE 60 Cb -0.34 -3.64 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1v54 s PHE 60 CO 0.40 -2.54 0.66 0.43 0.70 0.00 0.00 175.22 174.86 1v54 n SER 61 N -1.26 1.70 -3.93 1.36 7.64 -1.26 -4.07 113.62 113.80 1v54 n SER 61 Ca 0.12 -1.84 -0.10 0.00 1.01 0.00 0.00 58.87 58.06 1v54 n SER 61 Cb 0.47 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 1v54 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1v54 s TRP 62 N -0.54 0.33 0.00 1.43 -2.14 -1.26 -5.05 118.94 111.71 1v54 s TRP 62 Ca 0.00 -0.69 0.00 0.00 2.66 0.00 0.00 56.10 58.07 1v54 s TRP 62 Cb 0.00 -0.00 0.00 0.00 -3.10 0.00 0.00 33.47 30.37 1v54 s TRP 62 CO 0.00 -0.74 0.00 0.41 -2.66 0.00 0.00 176.95 173.96 1v54 n GLY 63 N -0.23 3.01 1.18 3.67 0.00 -1.26 -1.24 105.19 110.32 1v54 n GLY 63 Ca -0.08 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1v54 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1v54 n ASP 64 N 2.64 3.43 0.00 1.61 5.75 -1.26 -4.91 116.55 123.80 1v54 n ASP 64 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1v54 n ASP 64 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1v54 n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v54 n GLY 65 N 1.22 0.73 0.08 6.12 0.00 -0.37 -4.81 105.19 108.15 1v54 n GLY 65 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1v54 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1v54 n ASN 66 N -0.00 0.98 -4.57 1.61 5.15 -1.26 -1.52 115.26 115.65 1v54 n ASN 66 Ca 0.00 -0.99 -0.34 0.00 -0.60 0.00 0.00 54.58 52.65 1v54 n ASN 66 Cb 0.00 0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 39.34 1v54 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1v54 s HIS 67 N -0.40 3.05 0.83 1.20 3.76 -1.26 -4.86 115.29 117.61 1v54 s HIS 67 Ca 0.02 -0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.73 1v54 s HIS 67 Cb 0.02 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.93 1v54 s HIS 67 CO 0.04 0.17 1.10 0.95 -0.85 0.00 0.00 174.74 176.15 1v54 s THR 68 N -0.17 2.92 0.23 1.30 -4.23 -1.26 -4.92 115.64 109.50 1v54 s THR 68 Ca 0.04 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1v54 s THR 68 Cb -0.13 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.24 1v54 s THR 68 CO 0.02 -0.39 1.71 0.15 -0.54 0.00 0.00 174.62 175.58 1v54 h PHE 69 N -1.39 0.34 -1.21 3.99 3.04 -2.00 -2.18 116.94 117.53 1v54 h PHE 69 Ca -0.44 0.04 -0.63 0.00 3.98 0.00 0.00 57.97 60.91 1v54 h PHE 69 Cb 1.25 -0.05 -0.37 0.00 2.56 0.00 0.00 35.95 39.34 1v54 h PHE 69 CO 0.54 0.01 -0.06 1.19 -2.02 0.00 0.00 178.31 177.96 1v54 n PHE 70 N -5.08 3.07 -1.67 0.41 3.01 -1.26 -5.05 117.46 110.90 1v54 n PHE 70 Ca 0.11 -2.65 -0.46 0.00 1.01 0.00 0.00 57.45 55.46 1v54 n PHE 70 Cb 0.37 -0.69 -0.04 0.00 -0.01 0.00 0.00 39.48 39.10 1v54 n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1v54 n HIS 71 N -0.68 2.24 -4.02 1.38 -0.00 -0.82 -4.98 115.22 108.34 1v54 n HIS 71 Ca 0.49 0.30 -0.32 0.00 0.46 0.00 0.00 57.72 58.64 1v54 n HIS 71 Cb 0.69 -2.53 -0.15 0.00 -0.12 0.00 0.00 29.99 27.89 1v54 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1v54 s ASN 72 N 0.83 4.62 0.29 0.26 3.84 -1.26 -5.01 114.94 118.52 1v54 s ASN 72 Ca 0.78 -1.59 0.04 0.00 0.21 0.00 0.00 52.86 52.31 1v54 s ASN 72 Cb -0.68 -1.60 0.71 0.00 -0.55 0.00 0.00 41.25 39.12 1v54 s ASN 72 CO 0.39 -0.26 1.76 -0.65 -2.79 0.00 0.00 177.10 175.55 1v54 h PRO 73 N 7.78 0.65 -0.78 0.43 0.11 -1.94 0.40 132.00 138.66 1v54 h PRO 73 Ca -0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1v54 h PRO 73 Cb 1.04 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1v54 h PRO 73 CO 0.49 0.43 0.48 -0.09 -0.21 0.00 0.00 178.00 179.11 1v54 h ARG 74 N 0.67 1.04 0.00 1.05 1.12 -1.95 -3.36 114.38 112.95 1v54 h ARG 74 Ca 0.56 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 59.35 1v54 h ARG 74 Cb 0.90 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 1v54 h ARG 74 CO -0.41 0.72 0.00 1.33 -3.11 0.00 0.00 179.97 178.50 1v54 n VAL 75 N -4.39 0.00 -3.70 0.20 0.24 -0.63 -4.89 118.33 105.15 1v54 n VAL 75 Ca 0.08 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 1v54 n VAL 75 Cb 0.05 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.33 1v54 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1v54 s ASN 76 N -0.73 5.41 0.53 -1.34 0.02 0.13 -5.02 114.94 113.93 1v54 s ASN 76 Ca 0.00 -1.52 -0.17 0.00 -1.02 0.00 0.00 52.86 50.16 1v54 s ASN 76 Cb 0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 41.25 39.30 1v54 s ASN 76 CO 0.00 -0.47 1.01 -2.16 0.02 0.00 0.00 177.10 175.50 1v54 s PRO 77 N 1.34 3.79 0.84 -0.60 0.04 -1.26 -4.63 135.00 134.52 1v54 s PRO 77 Ca 0.02 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1v54 s PRO 77 Cb -0.22 -2.11 0.13 0.00 0.04 0.00 0.00 34.50 32.35 1v54 s PRO 77 CO 0.01 -0.41 1.18 -0.51 0.04 0.00 0.00 177.00 177.31 1v54 s LEU 78 N -4.08 2.72 0.64 -3.56 1.43 -0.10 -4.84 118.68 110.88 1v54 s LEU 78 Ca 0.61 0.35 0.35 0.00 -1.03 0.00 0.00 54.13 54.41 1v54 s LEU 78 Cb -0.12 -2.67 1.91 0.00 0.03 0.00 0.00 46.19 45.35 1v54 s LEU 78 CO 0.31 -2.19 2.13 -0.65 0.23 0.00 0.00 176.35 176.18 1v54 h PRO 79 N -1.15 0.00 -0.03 1.29 0.11 -1.89 -0.76 132.00 129.57 1v54 h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1v54 h PRO 79 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1v54 h PRO 79 CO 0.50 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.54 1v54 n THR 80 N -3.26 0.00 0.00 -1.15 -2.24 -1.26 -4.88 114.28 101.49 1v54 n THR 80 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1v54 n THR 80 Cb 0.26 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1v54 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v54 n GLY 81 N 1.31 1.26 3.71 3.38 0.00 -0.29 -5.08 105.19 109.47 1v54 n GLY 81 Ca 0.15 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 1v54 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v54 s TYR 82 N -1.21 1.87 0.55 1.61 2.02 -1.26 -0.93 117.35 120.02 1v54 s TYR 82 Ca 0.00 1.62 -0.06 0.00 -0.37 0.00 0.00 57.07 58.26 1v54 s TYR 82 Cb 0.00 -3.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.00 1v54 s TYR 82 CO 0.00 -2.88 0.87 -1.21 -1.57 0.00 0.00 175.55 170.76 1v54 s GLU 83 N -3.93 3.20 0.00 -0.62 2.02 -1.26 -4.85 118.70 113.26 1v54 s GLU 83 Ca 0.76 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.88 1v54 s GLU 83 Cb -0.31 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 31.65 1v54 s GLU 83 CO 0.48 -0.51 0.52 1.63 0.02 0.00 0.00 175.26 177.40