#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvd s ASN 2 N 0.00 1.63 0.16 7.83 -0.87 -1.26 -5.09 114.94 117.33 2pvd s ASN 2 Ca 0.00 -0.53 -0.31 0.00 -1.57 0.00 0.00 52.86 50.45 2pvd s ASN 2 Cb 0.00 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.25 41.07 2pvd s ASN 2 CO 0.00 -0.03 1.45 -0.69 -2.57 0.00 0.00 177.10 175.26 2pvd s VAL 3 N -1.07 2.97 0.00 1.60 1.01 -1.26 -1.82 120.40 121.84 2pvd s VAL 3 Ca -0.01 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2pvd s VAL 3 Cb -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2pvd s VAL 3 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2pvd n GLY 4 N 3.34 2.76 3.77 4.51 0.00 0.15 -5.00 105.19 114.73 2pvd n GLY 4 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2pvd n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pvd s ASP 5 N -1.43 6.58 0.08 1.61 1.01 -0.75 -4.63 116.67 119.14 2pvd s ASP 5 Ca 0.00 2.61 -0.20 0.00 0.71 0.00 0.00 52.55 55.66 2pvd s ASP 5 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 2pvd s ASP 5 CO 0.00 -0.66 0.60 -0.13 0.21 0.00 0.00 175.17 175.20 2pvd s ARG 6 N -2.02 4.27 0.04 8.23 3.00 -1.26 -0.75 118.95 130.46 2pvd s ARG 6 Ca 0.53 0.81 -0.02 0.00 0.00 0.00 0.00 55.73 57.05 2pvd s ARG 6 Cb -0.37 -3.25 -0.03 0.00 0.00 0.00 0.00 34.95 31.30 2pvd s ARG 6 CO 0.49 0.61 0.01 0.14 0.00 0.00 0.00 175.30 176.55 2pvd s VAL 7 N -1.05 0.16 -0.08 3.52 -7.23 0.24 -0.29 120.40 115.67 2pvd s VAL 7 Ca 0.30 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 2pvd s VAL 7 Cb -0.20 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2pvd s VAL 7 CO 0.20 -0.74 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.49 2pvd s ARG 8 N -2.86 2.80 -0.39 4.82 3.52 -0.36 -0.76 118.95 125.72 2pvd s ARG 8 Ca -0.03 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 2pvd s ARG 8 Cb 0.00 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 2pvd s ARG 8 CO -0.06 0.44 1.42 0.08 -0.81 0.00 0.00 175.30 176.37 2pvd s VAL 9 N -0.25 3.91 -0.13 7.11 1.01 0.28 -1.13 120.40 131.20 2pvd s VAL 9 Ca 0.01 0.94 0.11 0.00 0.00 0.00 0.00 61.98 63.04 2pvd s VAL 9 Cb -0.13 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 2pvd s VAL 9 CO 0.03 -0.70 0.32 0.35 0.00 0.00 0.00 175.10 175.11 2pvd n THR 10 N 6.96 1.54 -2.41 3.92 -2.24 -0.80 -0.01 114.28 121.25 2pvd n THR 10 Ca 0.17 -0.78 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 2pvd n THR 10 Cb 0.48 -0.96 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 2pvd n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pvd s SER 11 N -6.04 5.69 -0.21 3.42 0.01 -0.92 -4.85 113.70 110.79 2pvd s SER 11 Ca -0.12 0.76 -0.25 0.00 1.31 0.00 0.00 55.95 57.64 2pvd s SER 11 Cb 0.07 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 2pvd s SER 11 CO 0.80 -1.00 0.85 -0.55 0.41 0.00 0.00 173.24 173.75 2pvd s SER 12 N -4.28 6.92 -0.26 2.44 0.15 -1.26 -4.20 113.70 113.21 2pvd s SER 12 Ca 0.53 1.14 -0.01 0.00 0.70 0.00 0.00 55.95 58.31 2pvd s SER 12 Cb -0.11 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 2pvd s SER 12 CO 0.45 -0.48 0.05 -0.69 1.20 0.00 0.00 173.24 173.78 2pvd s VAL 13 N 2.55 0.89 -0.24 4.45 1.01 -1.26 -4.99 120.40 122.81 2pvd s VAL 13 Ca 0.37 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2pvd s VAL 13 Cb -0.16 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2pvd s VAL 13 CO 0.10 -0.44 0.64 -0.69 0.00 0.00 0.00 175.10 174.70 2pvd s VAL 14 N 1.65 4.99 0.37 2.92 1.01 -1.26 -1.46 120.40 128.62 2pvd s VAL 14 Ca 0.04 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.26 2pvd s VAL 14 Cb -0.17 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2pvd s VAL 14 CO -0.17 0.04 -0.04 0.68 0.00 0.00 0.00 175.10 175.61 2pvd s VAL 15 N 2.39 2.12 -0.00 2.92 -7.23 -0.46 -4.87 120.40 115.26 2pvd s VAL 15 Ca 0.27 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2pvd s VAL 15 Cb -0.16 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.98 2pvd s VAL 15 CO 0.09 -0.11 0.79 -1.22 -0.31 0.00 0.00 175.10 174.34 2pvd n TYR 16 N -0.87 0.00 -0.59 2.82 4.02 -1.26 -1.06 117.16 120.22 2pvd n TYR 16 Ca -0.05 -0.29 0.06 0.00 -0.01 0.00 0.00 57.90 57.62 2pvd n TYR 16 Cb 0.65 -0.03 0.16 0.00 -0.02 0.00 0.00 39.34 40.10 2pvd n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2pvd n HIS 17 N -0.30 0.45 -2.25 -0.72 1.44 -1.26 -0.91 115.22 111.67 2pvd n HIS 17 Ca 0.01 -0.72 -0.41 0.00 -2.01 0.00 0.00 57.72 54.58 2pvd n HIS 17 Cb 0.38 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.31 2pvd n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2pvd s HIS 18 N -1.97 3.29 0.62 -1.40 5.04 -1.26 -4.88 115.29 114.73 2pvd s HIS 18 Ca 0.27 1.21 0.28 0.00 -1.54 0.00 0.00 55.06 55.28 2pvd s HIS 18 Cb 0.20 -3.58 1.44 0.00 0.04 0.00 0.00 32.58 30.69 2pvd s HIS 18 CO 0.08 -1.82 1.84 -1.00 -2.34 0.00 0.00 174.74 171.51 2pvd h PRO 19 N 5.70 0.00 -0.13 2.88 0.13 -1.91 0.46 132.00 139.13 2pvd h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pvd h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pvd h PRO 19 CO 0.79 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.95 2pvd n GLU 20 N -3.38 1.54 -2.83 0.86 1.02 -1.26 -4.51 120.64 112.08 2pvd n GLU 20 Ca 0.05 -1.62 -0.00 0.00 -0.02 0.00 0.00 57.16 55.57 2pvd n GLU 20 Cb 0.63 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.79 2pvd n GLU 20 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2pvd n HIS 21 N 0.87 1.02 -1.65 -0.32 8.25 0.05 -5.09 115.22 118.36 2pvd n HIS 21 Ca 0.11 -2.12 -0.48 0.00 -0.26 0.00 0.00 57.72 54.98 2pvd n HIS 21 Cb 0.41 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 2pvd n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pvd n ALA 22 N -0.66 0.69 -0.78 -1.41 0.00 -0.58 -0.81 120.51 116.95 2pvd n ALA 22 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2pvd n ALA 22 Cb 0.81 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2pvd n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pvd n LYS 23 N 3.08 -0.46 -4.88 0.00 5.02 -0.09 -4.96 118.16 115.87 2pvd n LYS 23 Ca 0.17 0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 56.25 2pvd n LYS 23 Cb 0.26 -4.00 -0.14 0.00 -0.02 0.00 0.00 35.03 31.13 2pvd n LYS 23 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pvd s THR 24 N -1.78 2.91 0.01 -0.18 2.01 0.01 -5.00 115.64 113.63 2pvd s THR 24 Ca 0.00 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 60.95 2pvd s THR 24 Cb 0.00 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 2pvd s THR 24 CO 0.00 0.55 1.95 0.00 -0.69 0.00 0.00 174.62 176.43 2pvd n ALA 25 N 3.13 1.46 -3.72 7.40 0.00 -1.26 -4.36 120.51 123.16 2pvd n ALA 25 Ca -0.18 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 2pvd n ALA 25 Cb 0.53 -2.64 -0.17 0.00 0.00 0.00 0.00 19.45 17.16 2pvd n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pvd s PHE 26 N 4.30 0.64 -0.12 0.00 5.36 -0.22 -4.94 117.98 123.01 2pvd s PHE 26 Ca 0.89 -0.16 -0.26 0.00 -0.96 0.00 0.00 56.93 56.45 2pvd s PHE 26 Cb -0.49 -0.71 -0.02 0.00 -0.34 0.00 0.00 43.02 41.46 2pvd s PHE 26 CO 0.44 -0.26 0.84 0.34 -1.46 0.00 0.00 175.22 175.11 2pvd s ASP 27 N 1.54 7.04 0.00 6.13 -1.08 -1.26 -1.35 116.67 127.69 2pvd s ASP 27 Ca -0.02 1.27 0.28 0.00 -0.52 0.00 0.00 52.55 53.56 2pvd s ASP 27 Cb -0.13 -2.47 1.01 0.00 -1.46 0.00 0.00 42.92 39.87 2pvd s ASP 27 CO -0.03 -0.32 1.74 0.18 0.52 0.00 0.00 175.17 177.26 2pvd n LEU 28 N 4.70 0.33 -4.65 -1.34 4.77 -0.53 -4.92 117.00 115.35 2pvd n LEU 28 Ca 0.04 0.17 -0.55 0.00 -0.03 0.00 0.00 56.01 55.63 2pvd n LEU 28 Cb 0.50 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2pvd n LEU 28 CO 0.49 0.07 1.10 1.67 -1.33 0.00 0.00 177.39 179.39 2pvd n GLN 29 N -1.30 1.10 0.00 3.23 7.27 -1.26 -0.82 117.38 125.60 2pvd n GLN 29 Ca 0.09 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.56 2pvd n GLN 29 Cb 0.32 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 30.91 2pvd n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pvd n GLY 30 N 3.32 3.39 3.78 1.69 0.00 0.99 -4.99 105.19 113.37 2pvd n GLY 30 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2pvd n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pvd s MET 31 N -0.84 3.64 -0.03 1.61 -1.94 -0.00 -4.68 119.30 117.06 2pvd s MET 31 Ca 0.00 1.56 0.07 0.00 -1.71 0.00 0.00 55.69 55.61 2pvd s MET 31 Cb 0.00 -2.16 -0.02 0.00 2.01 0.00 0.00 34.83 34.66 2pvd s MET 31 CO 0.00 -0.60 -0.24 -1.21 -0.01 0.00 0.00 175.02 172.95 2pvd s GLU 32 N -3.08 2.23 0.00 2.03 2.02 -1.26 -0.56 118.70 120.08 2pvd s GLU 32 Ca 0.68 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.77 2pvd s GLU 32 Cb -0.22 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2pvd s GLU 32 CO 0.26 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.49 2pvd n GLY 33 N 2.51 3.06 3.31 -1.39 0.00 0.06 -4.77 105.19 107.98 2pvd n GLY 33 Ca -0.16 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 2pvd n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pvd s GLU 34 N -1.90 2.31 -0.10 1.61 2.12 -0.68 -0.59 118.70 121.47 2pvd s GLU 34 Ca 0.00 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 2pvd s GLU 34 Cb 0.00 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 2pvd s GLU 34 CO 0.00 0.50 1.43 0.08 -0.54 0.00 0.00 175.26 176.73 2pvd s VAL 35 N -0.46 3.94 -0.12 3.70 1.01 0.07 -0.70 120.40 127.85 2pvd s VAL 35 Ca 0.05 1.16 0.20 0.00 0.00 0.00 0.00 61.98 63.39 2pvd s VAL 35 Cb -0.11 -3.75 -0.26 0.00 0.00 0.00 0.00 36.38 32.26 2pvd s VAL 35 CO 0.01 -0.09 0.39 0.00 0.00 0.00 0.00 175.10 175.41 2pvd n ALA 36 N 6.62 2.13 -3.53 5.51 0.00 0.53 -0.67 120.51 131.09 2pvd n ALA 36 Ca 0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 2pvd n ALA 36 Cb 0.44 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2pvd n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pvd s ALA 37 N -3.00 -1.86 -0.36 0.00 0.00 -1.16 -4.90 121.76 110.46 2pvd s ALA 37 Ca -0.08 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.14 2pvd s ALA 37 Cb 0.10 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.32 2pvd s ALA 37 CO 0.86 -0.54 0.14 0.08 0.00 0.00 0.00 175.76 176.30 2pvd s VAL 38 N -2.31 1.32 -0.04 0.00 1.01 -1.25 -0.50 120.40 118.63 2pvd s VAL 38 Ca 0.02 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 59.73 2pvd s VAL 38 Cb -0.01 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 2pvd s VAL 38 CO -0.04 -0.74 1.92 -0.76 0.00 0.00 0.00 175.10 175.49 2pvd s LEU 39 N 1.05 4.23 0.00 3.92 1.02 0.32 -4.76 118.68 124.46 2pvd s LEU 39 Ca 0.13 2.40 0.00 0.00 0.02 0.00 0.00 54.13 56.68 2pvd s LEU 39 Cb -0.20 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.48 2pvd s LEU 39 CO -0.14 -1.18 0.00 1.07 0.02 0.00 0.00 176.35 176.12 2pvd n THR 40 N 5.93 0.00 -3.57 5.49 5.66 -1.26 -4.71 114.28 121.82 2pvd n THR 40 Ca 0.21 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.12 2pvd n THR 40 Cb 0.42 -0.04 -0.02 0.00 -1.55 0.00 0.00 70.33 69.15 2pvd n THR 40 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2pvd s GLY 41 N -1.43 -0.43 -0.22 1.09 0.00 -1.26 0.79 107.32 105.86 2pvd s GLY 41 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2pvd s GLY 41 CO 0.00 0.16 -0.15 0.86 0.00 0.00 0.00 173.10 173.97 2pvd s TRP 42 N -3.49 3.01 -1.36 1.90 -0.00 0.18 -4.70 118.94 114.48 2pvd s TRP 42 Ca 0.06 -1.90 -0.02 0.00 -0.00 0.00 0.00 56.10 54.24 2pvd s TRP 42 Cb -0.02 -1.94 0.01 0.00 -0.00 0.00 0.00 33.47 31.52 2pvd s TRP 42 CO -0.06 -0.82 0.68 1.04 -0.00 0.00 0.00 176.95 177.79 2pvd n GLN 43 N 4.55 -4.67 0.00 5.86 6.02 -1.26 -0.82 117.38 127.07 2pvd n GLN 43 Ca -0.18 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2pvd n GLN 43 Cb 0.47 -5.10 0.00 0.00 1.02 0.00 0.00 30.24 26.63 2pvd n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pvd n GLY 44 N -1.66 2.95 3.56 1.08 0.00 -1.26 -4.98 105.19 104.88 2pvd n GLY 44 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2pvd n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pvd s ARG 45 N 0.00 3.56 -0.03 1.61 0.52 0.00 -4.98 118.95 119.64 2pvd s ARG 45 Ca 0.00 0.11 -0.36 0.00 -0.52 0.00 0.00 55.73 54.96 2pvd s ARG 45 Cb 0.00 -3.89 -0.14 0.00 0.52 0.00 0.00 34.95 31.44 2pvd s ARG 45 CO 0.00 -1.04 1.65 -2.30 0.02 0.00 0.00 175.30 173.62 2pvd n PRO 46 N 6.71 1.70 -3.75 3.54 -0.02 -1.26 0.51 135.00 142.43 2pvd n PRO 46 Ca 0.03 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 2pvd n PRO 46 Cb 0.48 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2pvd n PRO 46 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2pvd s ILE 47 N 2.30 3.48 -0.26 4.25 -4.36 0.24 -4.85 121.20 122.01 2pvd s ILE 47 Ca 0.88 -1.33 0.10 0.00 -0.26 0.00 0.00 60.65 60.04 2pvd s ILE 47 Cb -0.84 -3.18 0.46 0.00 1.25 0.00 0.00 42.46 40.15 2pvd s ILE 47 CO 0.50 -0.15 1.33 -1.54 0.24 0.00 0.00 174.94 175.32 2pvd n SER 48 N -1.42 2.31 -4.66 4.36 3.41 -1.26 -4.64 113.62 111.72 2pvd n SER 48 Ca -0.01 -3.85 -0.49 0.00 -0.26 0.00 0.00 58.87 54.26 2pvd n SER 48 Cb 0.60 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 2pvd n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvd n ALA 49 N -1.09 0.68 1.02 7.33 0.00 -1.26 -4.85 120.51 122.34 2pvd n ALA 49 Ca 0.27 0.41 0.10 0.00 0.00 0.00 0.00 53.44 54.22 2pvd n ALA 49 Cb 0.85 -2.33 0.32 0.00 0.00 0.00 0.00 19.45 18.29 2pvd n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pvd n ASN 50 N 4.27 1.99 -3.20 0.00 6.94 -1.26 -3.87 115.26 120.12 2pvd n ASN 50 Ca 0.20 -1.80 -0.23 0.00 -0.02 0.00 0.00 54.58 52.73 2pvd n ASN 50 Cb 0.26 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 2pvd n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2pvd n LEU 51 N 0.54 0.75 0.21 -4.53 4.77 -1.26 -4.67 117.00 112.80 2pvd n LEU 51 Ca 0.16 -4.85 0.06 0.00 -0.03 0.00 0.00 56.01 51.35 2pvd n LEU 51 Cb 0.37 0.51 0.45 0.00 -2.33 0.00 0.00 43.42 42.41 2pvd n LEU 51 CO 0.13 2.12 0.78 1.55 -1.33 0.00 0.00 177.39 180.64 2pvd h PRO 52 N 3.78 0.00 -6.49 3.23 0.13 -1.63 -3.35 132.00 127.67 2pvd h PRO 52 Ca 0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 2pvd h PRO 52 Cb 0.87 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.91 2pvd h PRO 52 CO 0.51 0.30 0.79 0.08 -0.23 0.00 0.00 178.00 179.46 2pvd s VAL 53 N -4.05 4.31 -0.30 1.56 1.01 -0.41 -0.52 120.40 122.01 2pvd s VAL 53 Ca -0.02 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.85 2pvd s VAL 53 Cb 0.13 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2pvd s VAL 53 CO 0.68 -0.93 0.43 -0.22 0.00 0.00 0.00 175.10 175.05 2pvd s LEU 54 N 4.17 4.16 -0.12 3.92 2.96 0.34 0.34 118.68 134.46 2pvd s LEU 54 Ca 0.44 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2pvd s LEU 54 Cb -0.08 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 2pvd s LEU 54 CO 0.29 -0.29 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 2pvd s VAL 55 N 2.18 2.96 -0.18 1.68 1.01 -0.20 -0.35 120.40 127.50 2pvd s VAL 55 Ca 0.16 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 2pvd s VAL 55 Cb -0.16 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2pvd s VAL 55 CO 0.11 0.54 0.11 -0.54 0.00 0.00 0.00 175.10 175.31 2pvd s LYS 56 N 0.22 3.94 0.50 2.72 1.02 0.13 -1.62 119.74 126.65 2pvd s LYS 56 Ca -0.09 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 55.66 2pvd s LYS 56 Cb -0.15 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2pvd s LYS 56 CO 0.05 0.40 0.08 1.19 -0.92 0.00 0.00 175.35 176.16 2pvd n PHE 57 N 3.18 0.76 -1.06 3.18 3.01 0.17 -1.69 117.46 125.01 2pvd n PHE 57 Ca -0.17 -2.37 -0.30 0.00 1.01 0.00 0.00 57.45 55.62 2pvd n PHE 57 Cb 0.53 -0.35 0.25 0.00 -0.01 0.00 0.00 39.48 39.90 2pvd n PHE 57 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pvd s GLU 58 N -3.84 -1.42 -1.62 -1.08 2.02 -1.26 -3.57 118.70 107.92 2pvd s GLU 58 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2pvd s GLU 58 Cb -0.01 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2pvd s GLU 58 CO 0.04 -3.83 0.00 1.04 0.02 0.00 0.00 175.26 172.53 2pvd n GLN 59 N -4.84 -1.35 -3.77 1.61 6.02 -1.26 -2.63 117.38 111.15 2pvd n GLN 59 Ca 0.14 0.93 -0.25 0.00 -0.01 0.00 0.00 57.00 57.82 2pvd n GLN 59 Cb 0.60 -5.35 0.03 0.00 1.02 0.00 0.00 30.24 26.55 2pvd n GLN 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pvd n ARG 60 N -2.63 -5.35 -5.12 -1.09 1.74 -1.26 -4.80 116.66 98.15 2pvd n ARG 60 Ca -0.20 0.63 -0.29 0.00 -0.77 0.00 0.00 57.85 57.21 2pvd n ARG 60 Cb 0.63 -5.35 -0.16 0.00 -1.02 0.00 0.00 32.46 26.57 2pvd n ARG 60 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2pvd s PHE 61 N -3.51 2.16 0.06 -1.55 5.36 -1.08 -4.91 117.98 114.52 2pvd s PHE 61 Ca 0.29 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 2pvd s PHE 61 Cb -0.14 -1.42 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 2pvd s PHE 61 CO 0.81 -0.17 -0.05 -1.59 -1.46 0.00 0.00 175.22 172.77 2pvd s LYS 62 N -0.17 0.62 0.07 10.12 -2.85 -1.26 0.44 119.74 126.71 2pvd s LYS 62 Ca -0.02 -1.11 -0.21 0.00 -1.00 0.00 0.00 55.97 53.63 2pvd s LYS 62 Cb -0.12 0.02 0.05 0.00 -2.06 0.00 0.00 37.83 35.72 2pvd s LYS 62 CO 0.02 -0.06 0.51 0.00 0.10 0.00 0.00 175.35 175.92 2pvd s ALA 63 N -3.21 -1.28 -0.07 0.59 0.00 -0.64 -4.99 121.76 112.16 2pvd s ALA 63 Ca 0.03 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 2pvd s ALA 63 Cb 0.03 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2pvd s ALA 63 CO -0.06 -0.55 0.14 -1.01 0.00 0.00 0.00 175.76 174.28 2pvd s HIS 64 N -2.75 3.52 0.18 0.00 3.76 -1.26 -1.03 115.29 117.70 2pvd s HIS 64 Ca -0.04 0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 2pvd s HIS 64 Cb -0.00 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2pvd s HIS 64 CO -0.04 0.67 0.05 -0.06 -0.85 0.00 0.00 174.74 174.50 2pvd s PHE 65 N -1.14 1.16 0.34 1.40 0.40 0.15 -4.96 117.98 115.33 2pvd s PHE 65 Ca 0.20 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.30 2pvd s PHE 65 Cb -0.12 -0.65 -0.06 0.00 0.51 0.00 0.00 43.02 42.69 2pvd s PHE 65 CO 0.10 -0.36 0.68 1.03 0.70 0.00 0.00 175.22 177.37 2pvd s ARG 66 N -4.00 3.76 0.41 0.44 0.52 -1.26 -1.29 118.95 117.54 2pvd s ARG 66 Ca 0.28 0.33 0.13 0.00 -0.52 0.00 0.00 55.73 55.95 2pvd s ARG 66 Cb 0.07 -2.50 0.98 0.00 0.52 0.00 0.00 34.95 34.01 2pvd s ARG 66 CO 0.06 0.10 1.94 -1.35 0.02 0.00 0.00 175.30 176.06 2pvd h PRO 67 N 1.63 0.48 0.00 3.54 0.11 -1.94 -2.07 132.00 133.74 2pvd h PRO 67 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pvd h PRO 67 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pvd h PRO 67 CO 0.65 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 2pvd n ASP 68 N -4.48 0.00 -0.04 -2.05 5.68 -1.26 -3.45 116.55 110.94 2pvd n ASP 68 Ca 0.13 0.37 0.12 0.00 -0.50 0.00 0.00 54.79 54.91 2pvd n ASP 68 Cb 0.42 -0.45 0.30 0.00 -1.14 0.00 0.00 41.12 40.25 2pvd n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pvd n GLU 69 N -1.45 0.15 -4.35 0.11 1.02 -0.78 -4.79 120.64 110.55 2pvd n GLU 69 Ca 0.07 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2pvd n GLU 69 Cb 0.26 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 2pvd n GLU 69 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2pvd s VAL 70 N -2.91 1.78 -0.04 2.62 -7.23 -1.22 -1.91 120.40 111.50 2pvd s VAL 70 Ca 0.14 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2pvd s VAL 70 Cb 0.18 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2pvd s VAL 70 CO 0.66 -0.55 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.86 2pvd s THR 71 N -2.83 1.22 0.24 5.32 2.01 -0.28 -4.86 115.64 116.46 2pvd s THR 71 Ca 0.22 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 2pvd s THR 71 Cb -0.02 -1.06 -0.11 0.00 0.01 0.00 0.00 72.50 71.32 2pvd s THR 71 CO 0.07 0.36 1.64 -0.22 -0.69 0.00 0.00 174.62 175.78 2pvd s LEU 72 N 0.15 4.36 0.00 4.42 2.96 -1.26 -1.22 118.68 128.10 2pvd s LEU 72 Ca -0.05 2.87 0.19 0.00 -0.22 0.00 0.00 54.13 56.92 2pvd s LEU 72 Cb -0.11 -3.61 0.15 0.00 0.50 0.00 0.00 46.19 43.11 2pvd s LEU 72 CO 0.02 -0.92 1.10 -0.38 -1.32 0.00 0.00 176.35 174.85