#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oax s VAL 3 N 0.00 1.91 -0.22 0.00 1.01 -1.26 -4.96 120.40 116.89 1oax s VAL 3 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1oax s VAL 3 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1oax s VAL 3 CO 0.00 0.53 0.05 -0.69 0.00 0.00 0.00 175.10 174.99 1oax s VAL 4 N 0.08 4.32 -0.08 2.92 1.01 -1.26 -3.32 120.40 124.08 1oax s VAL 4 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1oax s VAL 4 Cb -0.15 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1oax s VAL 4 CO 0.05 0.40 -0.09 -0.89 0.00 0.00 0.00 175.10 174.57 1oax s THR 5 N 1.11 3.54 0.10 3.92 2.01 -0.84 -4.42 115.64 121.06 1oax s THR 5 Ca 0.04 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1oax s THR 5 Cb -0.14 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1oax s THR 5 CO 0.03 0.58 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.27 1oax s GLN 6 N -0.59 0.98 0.10 4.92 -0.21 -1.26 -0.21 119.66 123.39 1oax s GLN 6 Ca 0.09 -1.11 -0.31 0.00 0.02 0.00 0.00 55.36 54.05 1oax s GLN 6 Cb -0.12 -1.04 -0.07 0.00 1.00 0.00 0.00 33.01 32.78 1oax s GLN 6 CO 0.02 0.23 1.25 -1.83 -2.12 0.00 0.00 175.29 172.83 1oax s GLU 7 N -2.06 4.41 0.67 2.91 1.03 -1.26 -4.90 118.70 119.50 1oax s GLU 7 Ca 0.04 1.87 0.40 0.00 0.03 0.00 0.00 54.97 57.30 1oax s GLU 7 Cb -0.09 -3.30 2.16 0.00 -0.80 0.00 0.00 34.13 32.10 1oax s GLU 7 CO 0.03 -0.28 2.22 1.03 -1.33 0.00 0.00 175.26 176.93 1oax h SER 8 N 6.55 0.00 -5.01 0.83 0.87 -1.97 -3.41 113.55 111.41 1oax h SER 8 Ca -0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1oax h SER 8 Cb 1.21 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.01 1oax h SER 8 CO 0.81 0.00 0.13 0.00 -0.53 0.00 0.00 176.83 177.24 1oax s ALA 9 N -4.13 -1.55 -0.26 6.23 0.00 -1.26 -3.55 121.76 117.23 1oax s ALA 9 Ca -0.04 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.73 1oax s ALA 9 Cb 0.11 0.31 0.13 0.00 0.00 0.00 0.00 23.12 23.67 1oax s ALA 9 CO 0.36 -0.49 0.54 -0.51 0.00 0.00 0.00 175.76 175.67 1oax s LEU 10 N -1.77 -0.99 -0.24 0.00 1.43 -1.01 -4.94 118.68 111.17 1oax s LEU 10 Ca -0.07 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1oax s LEU 10 Cb -0.01 1.88 -0.04 0.00 0.03 0.00 0.00 46.19 48.06 1oax s LEU 10 CO 0.01 -0.24 0.10 -0.89 0.23 0.00 0.00 176.35 175.57 1oax s THR 11 N 2.77 4.72 0.19 5.49 2.01 -1.26 -2.80 115.64 126.76 1oax s THR 11 Ca 0.02 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1oax s THR 11 Cb -0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1oax s THR 11 CO -0.17 0.34 0.06 1.07 -0.69 0.00 0.00 174.62 175.23 1oax n THR 12 N 4.62 0.00 -4.25 -0.82 5.66 -1.02 -5.01 114.28 113.46 1oax n THR 12 Ca -0.16 -1.08 -0.14 0.00 -3.05 0.00 0.00 64.05 59.62 1oax n THR 12 Cb 0.52 0.37 -0.10 0.00 -1.55 0.00 0.00 70.33 69.57 1oax n THR 12 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1oax s SER 13 N -2.16 1.16 0.26 1.09 0.01 -1.26 -2.58 113.70 110.21 1oax s SER 13 Ca 0.08 -1.21 -0.31 0.00 1.31 0.00 0.00 55.95 55.83 1oax s SER 13 Cb 0.00 0.14 -0.13 0.00 0.21 0.00 0.00 66.02 66.24 1oax s SER 13 CO 0.06 -0.60 1.44 -2.65 0.41 0.00 0.00 173.24 171.89 1oax n PRO 14 N -0.27 2.18 0.00 12.44 -0.02 -1.26 -2.27 135.00 145.80 1oax n PRO 14 Ca -0.05 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1oax n PRO 14 Cb 0.64 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1oax n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oax n GLY 15 N 2.03 2.40 3.42 -1.23 0.00 -0.15 -4.92 105.19 106.73 1oax n GLY 15 Ca 0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1oax n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oax s GLU 16 N 0.00 -1.84 -0.10 1.61 2.02 -0.96 -3.92 118.70 115.50 1oax s GLU 16 Ca 0.00 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.46 1oax s GLU 16 Cb 0.00 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 1oax s GLU 16 CO 0.00 -4.24 -0.17 0.99 0.02 0.00 0.00 175.26 171.87 1oax s THR 17 N -2.43 2.77 0.03 3.63 2.01 -1.26 -1.15 115.64 119.24 1oax s THR 17 Ca 0.69 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1oax s THR 17 Cb -0.19 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1oax s THR 17 CO 0.61 0.55 -0.12 0.54 -0.69 0.00 0.00 174.62 175.51 1oax s VAL 18 N 0.11 0.91 -0.05 3.82 0.11 -1.11 -4.99 120.40 119.20 1oax s VAL 18 Ca -0.08 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1oax s VAL 18 Cb -0.15 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1oax s VAL 18 CO 0.05 -0.05 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.75 1oax s THR 19 N -0.85 1.11 -0.10 5.04 2.01 -1.26 -1.23 115.64 120.36 1oax s THR 19 Ca -0.01 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1oax s THR 19 Cb -0.07 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1oax s THR 19 CO 0.01 0.34 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.35 1oax s LEU 20 N 0.39 2.54 0.37 4.42 1.02 0.57 -4.96 118.68 123.04 1oax s LEU 20 Ca -0.09 -0.36 0.08 0.00 0.02 0.00 0.00 54.13 53.78 1oax s LEU 20 Cb -0.13 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.49 1oax s LEU 20 CO 0.02 0.20 0.11 -0.89 0.02 0.00 0.00 176.35 175.82 1oax s THR 21 N 0.10 2.61 -0.05 5.49 2.01 -1.26 0.82 115.64 125.37 1oax s THR 21 Ca -0.08 -1.79 0.02 0.00 0.31 0.00 0.00 61.69 60.15 1oax s THR 21 Cb -0.15 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1oax s THR 21 CO 0.05 -0.12 -0.10 0.00 -0.69 0.00 0.00 174.62 173.76 1oax s ARG 23 N 0.52 2.90 -0.17 0.00 1.81 0.71 -3.57 118.95 121.14 1oax s ARG 23 Ca -0.10 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 1oax s ARG 23 Cb -0.13 -2.71 0.01 0.00 -0.45 0.00 0.00 34.95 31.67 1oax s ARG 23 CO 0.02 0.67 -0.16 0.45 -0.68 0.00 0.00 175.30 175.60 1oax s SER 24 N -0.81 3.51 0.22 0.23 0.15 -1.26 -1.98 113.70 113.76 1oax s SER 24 Ca 0.12 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1oax s SER 24 Cb -0.11 -1.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.85 1oax s SER 24 CO 0.02 0.03 1.53 0.77 1.20 0.00 0.00 173.24 176.79 1oax h SER 25 N 7.69 0.35 1.77 5.45 4.64 -1.95 -3.37 113.55 128.13 1oax h SER 25 Ca -0.39 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1oax h SER 25 Cb 1.17 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1oax h SER 25 CO 0.60 0.88 -0.12 0.71 -0.87 0.00 0.00 176.83 178.02 1oax h THR 26 N 0.22 0.00 -6.30 2.95 1.35 -1.95 -3.50 112.91 105.69 1oax h THR 26 Ca -0.01 -0.90 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 1oax h THR 26 Cb 1.14 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1oax h THR 26 CO 0.10 0.00 -1.04 0.00 -0.25 0.00 0.00 175.52 174.33 1oax n ALA 28 N -2.05 -2.21 -0.93 6.62 0.00 -1.26 -5.23 120.51 115.46 1oax n ALA 28 Ca 0.04 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 1oax n ALA 28 Cb 0.51 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1oax n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oax n VAL 29 N 0.85 0.28 -4.23 0.00 0.31 -1.26 -5.03 118.33 109.26 1oax n VAL 29 Ca -0.02 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1oax n VAL 29 Cb 0.51 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.34 1oax n VAL 29 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1oax s THR 30 N -0.14 0.39 0.45 2.52 -4.23 -1.26 -4.51 115.64 108.86 1oax s THR 30 Ca 0.54 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.36 1oax s THR 30 Cb -0.75 -2.30 0.49 0.00 1.34 0.00 0.00 72.50 71.28 1oax s THR 30 CO 0.36 -0.27 1.70 0.74 -0.54 0.00 0.00 174.62 176.61 1oax h THR 31 N 2.65 0.30 -0.42 3.99 2.02 -1.97 0.12 112.91 119.61 1oax h THR 31 Ca -0.37 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1oax h THR 31 Cb 1.22 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1oax h THR 31 CO 0.60 0.03 -0.11 -1.28 0.37 0.00 0.00 175.52 175.13 1oax h SER 32 N 0.17 0.74 0.00 4.18 0.87 -1.96 -3.26 113.55 114.29 1oax h SER 32 Ca 0.70 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.96 1oax h SER 32 Cb 2.24 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.98 1oax h SER 32 CO -0.27 0.87 0.26 0.59 -0.53 0.00 0.00 176.83 177.76 1oax n ASN 33 N -4.17 2.26 -0.64 6.23 5.03 0.43 -4.90 115.26 119.51 1oax n ASN 33 Ca 0.01 -1.93 -0.04 0.00 0.87 0.00 0.00 54.58 53.50 1oax n ASN 33 Cb 0.36 -0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1oax n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1oax n TYR 34 N 2.89 0.01 -2.28 3.10 4.02 -1.23 -4.38 117.16 119.30 1oax n TYR 34 Ca 0.19 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.66 1oax n TYR 34 Cb 0.36 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1oax n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oax s ALA 35 N 0.21 3.57 0.18 -0.72 0.00 -1.26 -4.27 121.76 119.47 1oax s ALA 35 Ca 0.19 0.79 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1oax s ALA 35 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1oax s ALA 35 CO 0.08 -0.94 0.10 -0.80 0.00 0.00 0.00 175.76 174.20 1oax s ASN 36 N 1.90 5.29 -0.03 0.00 0.02 -0.93 -1.63 114.94 119.57 1oax s ASN 36 Ca 0.62 -0.23 -0.01 0.00 -1.02 0.00 0.00 52.86 52.22 1oax s ASN 36 Cb -0.29 -1.31 0.03 0.00 0.02 0.00 0.00 41.25 39.70 1oax s ASN 36 CO 0.24 0.06 0.04 0.26 0.02 0.00 0.00 177.10 177.72 1oax s TRP 37 N -1.82 0.06 0.08 2.20 0.52 -0.70 -1.65 118.94 117.63 1oax s TRP 37 Ca 0.30 0.17 0.10 0.00 0.02 0.00 0.00 56.10 56.70 1oax s TRP 37 Cb -0.09 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.85 1oax s TRP 37 CO 0.22 -0.13 -0.27 0.14 0.02 0.00 0.00 176.95 176.93 1oax s VAL 38 N 1.51 2.19 -0.32 4.03 -7.23 0.25 -1.51 120.40 119.32 1oax s VAL 38 Ca -0.03 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1oax s VAL 38 Cb -0.13 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 34.99 1oax s VAL 38 CO -0.03 0.24 0.03 -1.58 -0.31 0.00 0.00 175.10 173.46 1oax s GLN 39 N -1.60 2.11 -0.82 4.82 0.74 -0.98 0.34 119.66 124.26 1oax s GLN 39 Ca 0.13 -1.53 -0.22 0.00 0.05 0.00 0.00 55.36 53.79 1oax s GLN 39 Cb -0.10 -3.22 0.08 0.00 1.10 0.00 0.00 33.01 30.87 1oax s GLN 39 CO 0.04 -0.77 1.14 -2.00 -0.55 0.00 0.00 175.29 173.15 1oax s GLU 40 N 1.13 3.37 0.86 1.67 2.12 0.19 -2.77 118.70 125.27 1oax s GLU 40 Ca 0.00 -1.13 -0.11 0.00 0.36 0.00 0.00 54.97 54.09 1oax s GLU 40 Cb -0.20 -4.66 0.11 0.00 0.26 0.00 0.00 34.13 29.63 1oax s GLU 40 CO -0.04 -1.91 1.09 0.15 -0.54 0.00 0.00 175.26 174.01 1oax s LYS 41 N 3.95 1.57 0.50 4.30 -0.14 -0.85 -1.70 119.74 127.38 1oax s LYS 41 Ca 0.31 0.87 -0.23 0.00 -1.36 0.00 0.00 55.97 55.57 1oax s LYS 41 Cb -0.09 -1.84 -0.06 0.00 -1.68 0.00 0.00 37.83 34.16 1oax s LYS 41 CO 0.00 -2.04 1.32 -2.14 -0.76 0.00 0.00 175.35 171.73 1oax s PRO 42 N -4.95 3.43 0.00 -1.68 0.02 -1.26 -2.63 135.00 127.92 1oax s PRO 42 Ca 0.63 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1oax s PRO 42 Cb -0.17 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1oax s PRO 42 CO 0.56 -0.93 0.00 0.54 -0.33 0.00 0.00 177.00 176.85 1oax n ARG 43 N -0.69 0.00 -3.46 5.54 3.00 -1.26 -4.25 116.66 115.55 1oax n ARG 43 Ca 0.08 0.01 -0.20 0.00 -0.01 0.00 0.00 57.85 57.73 1oax n ARG 43 Cb 0.45 -1.42 0.08 0.00 0.00 0.00 0.00 32.46 31.56 1oax n ARG 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1oax n HIS 44 N -2.47 -2.49 -2.83 -1.55 8.25 -1.08 -4.94 115.22 108.11 1oax n HIS 44 Ca 0.00 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 57.95 1oax n HIS 44 Cb 0.00 -4.73 -0.03 0.00 1.12 0.00 0.00 29.99 26.34 1oax n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oax s LEU 45 N -6.58 4.43 -0.04 2.41 2.01 -1.12 -4.97 118.68 114.83 1oax s LEU 45 Ca 0.41 -1.38 -0.17 0.00 0.01 0.00 0.00 54.13 53.00 1oax s LEU 45 Cb -0.18 -2.44 -0.05 0.00 0.01 0.00 0.00 46.19 43.53 1oax s LEU 45 CO 0.67 -1.35 0.48 -0.36 1.01 0.00 0.00 176.35 176.80 1oax s PHE 46 N 3.81 3.65 -0.08 0.29 0.40 -1.26 -2.01 117.98 122.77 1oax s PHE 46 Ca 0.29 1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 57.61 1oax s PHE 46 Cb -0.10 -2.46 0.04 0.00 0.51 0.00 0.00 43.02 41.02 1oax s PHE 46 CO 0.01 0.42 0.12 0.99 0.70 0.00 0.00 175.22 177.46 1oax s THR 47 N -0.32 -0.19 0.25 0.64 2.01 -1.12 -4.99 115.64 111.94 1oax s THR 47 Ca 0.26 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1oax s THR 47 Cb -0.17 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 1oax s THR 47 CO 0.13 0.09 1.48 -0.83 -0.69 0.00 0.00 174.62 174.80 1oax s GLY 48 N 2.23 2.23 -0.05 4.40 0.00 -1.26 -2.32 107.32 112.55 1oax s GLY 48 Ca 0.04 1.38 -0.07 0.00 0.00 0.00 0.00 44.72 46.07 1oax s GLY 48 CO -0.05 2.36 -0.15 1.04 0.00 0.00 0.00 173.10 176.29 1oax n LEU 49 N 2.42 1.26 -4.18 0.66 4.77 -0.57 -4.80 117.00 116.56 1oax n LEU 49 Ca 0.07 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 1oax n LEU 49 Cb 0.40 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1oax n LEU 49 CO 0.61 -0.29 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.32 1oax s ILE 50 N -2.33 1.03 0.22 -0.08 1.01 -1.08 -2.15 121.20 117.82 1oax s ILE 50 Ca -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1oax s ILE 50 Cb 0.03 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1oax s ILE 50 CO 0.19 -0.43 0.09 -0.83 0.00 0.00 0.00 174.94 173.96 1oax s GLY 51 N -2.20 1.52 -1.80 6.18 0.00 -0.66 -1.72 107.32 108.65 1oax s GLY 51 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1oax s GLY 51 CO 0.01 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1oax n GLY 52 N -0.34 0.70 0.30 0.20 0.00 -0.67 -0.90 105.19 104.47 1oax n GLY 52 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oax n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oax n THR 53 N -2.99 0.00 -1.01 2.61 -1.04 -0.64 -4.33 114.28 106.87 1oax n THR 53 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1oax n THR 53 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1oax n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oax n ASN 54 N 3.01 0.00 -4.72 8.00 6.94 -1.17 -3.12 115.26 124.19 1oax n ASN 54 Ca 0.00 -0.87 -0.31 0.00 -0.02 0.00 0.00 54.58 53.38 1oax n ASN 54 Cb 0.00 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 37.55 1oax n ASN 54 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1oax s ASN 55 N 0.00 3.74 0.03 0.53 0.02 -0.08 -4.40 114.94 114.78 1oax s ASN 55 Ca 0.00 2.02 0.04 0.00 -1.02 0.00 0.00 52.86 53.90 1oax s ASN 55 Cb 0.00 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 38.70 1oax s ASN 55 CO 0.00 -2.55 -0.12 -0.60 0.02 0.00 0.00 177.10 173.85 1oax s ARG 56 N -4.73 0.83 0.49 -0.60 3.52 -1.26 -1.65 118.95 115.54 1oax s ARG 56 Ca 0.64 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1oax s ARG 56 Cb -0.20 -0.80 -0.06 0.00 -1.56 0.00 0.00 34.95 32.33 1oax s ARG 56 CO 0.56 0.20 0.88 0.00 -0.81 0.00 0.00 175.30 176.13 1oax s ALA 57 N -0.80 3.24 0.42 6.12 0.00 -0.92 -4.88 121.76 124.94 1oax s ALA 57 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.57 1oax s ALA 57 Cb -0.07 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1oax s ALA 57 CO 0.01 -0.26 1.12 -2.30 0.00 0.00 0.00 175.76 174.33 1oax n PRO 58 N -1.82 1.59 0.00 0.00 -0.02 -1.26 -2.76 135.00 130.72 1oax n PRO 58 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1oax n PRO 58 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1oax n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oax n GLY 59 N 1.03 1.91 3.54 -1.23 0.00 -1.26 -4.93 105.19 104.24 1oax n GLY 59 Ca 0.08 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.58 1oax n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oax n VAL 60 N 0.00 0.27 -1.17 1.61 0.31 -1.11 -4.87 118.33 113.37 1oax n VAL 60 Ca 0.00 -0.19 -0.35 0.00 -0.01 0.00 0.00 64.34 63.79 1oax n VAL 60 Cb 0.00 -1.57 0.09 0.00 -0.91 0.00 0.00 33.84 31.45 1oax n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1oax n PRO 61 N 7.35 0.22 0.04 5.55 -0.02 -1.26 -4.90 135.00 141.97 1oax n PRO 61 Ca 0.35 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1oax n PRO 61 Cb 0.21 -2.04 0.51 0.00 -0.02 0.00 0.00 33.50 32.16 1oax n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oax n ALA 62 N -2.81 2.20 0.67 3.55 0.00 -1.26 -3.01 120.51 119.85 1oax n ALA 62 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1oax n ALA 62 Cb 0.51 -1.44 0.36 0.00 0.00 0.00 0.00 19.45 18.88 1oax n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1oax n ARG 63 N -1.79 0.18 -3.38 0.00 1.85 -1.26 -4.44 116.66 107.82 1oax n ARG 63 Ca 0.06 0.16 -0.43 0.00 -1.00 0.00 0.00 57.85 56.64 1oax n ARG 63 Cb 0.34 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.16 1oax n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1oax s PHE 64 N -2.62 3.21 -0.02 2.89 0.40 -1.16 -0.62 117.98 120.06 1oax s PHE 64 Ca 0.13 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1oax s PHE 64 Cb 0.10 -2.86 -0.02 0.00 0.51 0.00 0.00 43.02 40.75 1oax s PHE 64 CO 0.23 -0.69 -0.21 -1.54 0.70 0.00 0.00 175.22 173.70 1oax s SER 65 N 1.96 3.45 0.27 1.36 1.04 -0.39 -5.00 113.70 116.40 1oax s SER 65 Ca 0.08 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1oax s SER 65 Cb -0.19 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 1oax s SER 65 CO 0.11 0.32 0.31 -0.83 0.98 0.00 0.00 173.24 174.12 1oax s GLY 66 N -0.80 1.43 -0.03 7.32 0.00 -1.26 -0.77 107.32 113.20 1oax s GLY 66 Ca 0.11 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.14 1oax s GLY 66 CO 0.00 -1.39 1.31 -1.35 0.00 0.00 0.00 173.10 171.67 1oax s SER 67 N -3.97 -0.00 -0.16 1.64 1.04 -0.88 -4.53 113.70 106.84 1oax s SER 67 Ca 0.36 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 1oax s SER 67 Cb -0.08 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1oax s SER 67 CO 0.28 -0.24 -0.08 -0.76 0.98 0.00 0.00 173.24 173.42 1oax s LEU 68 N -3.71 2.90 -0.36 2.42 1.43 -1.26 -0.51 118.68 119.59 1oax s LEU 68 Ca 0.28 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1oax s LEU 68 Cb 0.01 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.63 1oax s LEU 68 CO -0.02 0.11 0.10 -0.63 0.23 0.00 0.00 176.35 176.14 1oax s ILE 69 N 0.70 2.67 0.00 -0.59 1.01 -0.46 -4.97 121.20 119.57 1oax s ILE 69 Ca -0.04 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.42 1oax s ILE 69 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1oax s ILE 69 CO 0.02 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.97 1oax n GLY 70 N 4.39 1.51 2.52 6.18 0.00 -1.26 -3.44 105.19 115.09 1oax n GLY 70 Ca 0.01 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1oax n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oax n ASN 71 N 4.55 7.15 -3.73 1.61 3.02 -1.26 -4.89 115.26 121.71 1oax n ASN 71 Ca 0.00 -3.55 -0.12 0.00 -0.03 0.00 0.00 54.58 50.88 1oax n ASN 71 Cb 0.00 -1.09 -0.11 0.00 -0.61 0.00 0.00 39.78 37.97 1oax n ASN 71 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oax s LYS 72 N -3.07 0.42 0.52 3.52 1.02 -1.22 -4.00 119.74 116.92 1oax s LYS 72 Ca 0.54 0.61 -0.20 0.00 0.02 0.00 0.00 55.97 56.93 1oax s LYS 72 Cb 0.41 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.80 1oax s LYS 72 CO -0.21 -0.09 1.12 0.00 -0.92 0.00 0.00 175.35 175.25 1oax s ALA 73 N 0.58 2.78 0.02 5.17 0.00 -1.23 -1.35 121.76 127.73 1oax s ALA 73 Ca -0.03 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 1oax s ALA 73 Cb -0.05 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1oax s ALA 73 CO -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 175.76 175.03 1oax s ALA 74 N -1.75 0.18 -0.23 0.00 0.00 0.34 0.11 121.76 120.40 1oax s ALA 74 Ca 0.70 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1oax s ALA 74 Cb -0.24 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1oax s ALA 74 CO 0.27 -0.19 0.01 -1.17 0.00 0.00 0.00 175.76 174.68 1oax s LEU 75 N -1.69 1.96 -0.12 0.00 2.96 0.24 -2.07 118.68 119.96 1oax s LEU 75 Ca -0.12 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.56 1oax s LEU 75 Cb -0.07 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 1oax s LEU 75 CO -0.02 -0.30 0.21 -0.89 -1.32 0.00 0.00 176.35 174.02 1oax s THR 76 N 1.62 5.38 -0.30 3.68 2.01 0.05 -0.31 115.64 127.77 1oax s THR 76 Ca -0.01 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1oax s THR 76 Cb -0.18 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1oax s THR 76 CO -0.10 0.55 0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 1oax s ILE 77 N -0.57 3.76 -0.49 1.82 1.01 -0.36 -1.26 121.20 125.10 1oax s ILE 77 Ca 0.16 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1oax s ILE 77 Cb -0.13 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1oax s ILE 77 CO 0.05 0.04 0.63 -0.89 0.00 0.00 0.00 174.94 174.77 1oax s THR 78 N 1.45 4.85 0.00 2.92 2.01 0.21 -2.73 115.64 124.35 1oax s THR 78 Ca 0.01 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1oax s THR 78 Cb -0.18 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1oax s THR 78 CO 0.01 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 173.80 1oax n GLY 79 N 5.14 0.01 3.69 4.40 0.00 -1.12 -4.71 105.19 112.59 1oax n GLY 79 Ca -0.05 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1oax n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oax s ALA 80 N -2.92 3.56 0.33 4.61 0.00 -0.30 -4.67 121.76 122.36 1oax s ALA 80 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1oax s ALA 80 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1oax s ALA 80 CO 0.00 -0.88 0.51 -0.65 0.00 0.00 0.00 175.76 174.74 1oax s GLN 81 N 2.39 3.38 0.34 0.00 -1.52 -1.26 -0.98 119.66 122.02 1oax s GLN 81 Ca 0.61 -0.53 0.12 0.00 -1.95 0.00 0.00 55.36 53.61 1oax s GLN 81 Cb -0.29 -2.72 0.94 0.00 -0.22 0.00 0.00 33.01 30.72 1oax s GLN 81 CO 0.25 0.15 1.74 1.15 -0.25 0.00 0.00 175.29 178.33 1oax h THR 82 N 0.82 0.53 0.00 -0.19 2.02 -1.95 -1.38 112.91 112.76 1oax h THR 82 Ca -0.49 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1oax h THR 82 Cb 1.23 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1oax h THR 82 CO 0.60 0.10 0.00 1.05 0.37 0.00 0.00 175.52 177.64 1oax h GLU 83 N 0.54 0.00 0.00 6.66 4.11 -1.98 -2.85 114.58 121.06 1oax h GLU 83 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1oax h GLU 83 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1oax h GLU 83 CO -0.43 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.40 1oax n ASP 84 N -2.94 0.00 -4.58 3.06 8.00 -0.52 -4.65 116.55 114.93 1oax n ASP 84 Ca 0.02 -0.49 -0.40 0.00 0.71 0.00 0.00 54.79 54.63 1oax n ASP 84 Cb 0.38 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1oax n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1oax s GLU 85 N -2.07 2.74 0.27 -1.24 2.12 -1.08 -4.86 118.70 114.57 1oax s GLU 85 Ca 0.26 1.51 -0.21 0.00 0.36 0.00 0.00 54.97 56.88 1oax s GLU 85 Cb 0.12 -4.42 0.03 0.00 0.26 0.00 0.00 34.13 30.12 1oax s GLU 85 CO 0.22 -2.55 0.73 0.00 -0.54 0.00 0.00 175.26 173.11 1oax s ALA 86 N 9.51 -1.27 -0.09 6.30 0.00 -1.21 -4.85 121.76 130.15 1oax s ALA 86 Ca 0.91 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 1oax s ALA 86 Cb -0.23 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1oax s ALA 86 CO 0.30 -1.03 0.57 0.42 0.00 0.00 0.00 175.76 176.02 1oax s ILE 87 N -3.87 5.11 -0.21 0.00 1.01 -0.69 -2.02 121.20 120.53 1oax s ILE 87 Ca 0.11 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.91 1oax s ILE 87 Cb -0.05 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.51 1oax s ILE 87 CO 0.06 0.31 -0.10 -0.31 0.00 0.00 0.00 174.94 174.89 1oax s TYR 88 N 0.60 2.92 -0.19 3.97 1.51 -0.99 0.57 117.35 125.74 1oax s TYR 88 Ca 0.31 -1.33 -0.05 0.00 -1.01 0.00 0.00 57.07 54.98 1oax s TYR 88 Cb -0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1oax s TYR 88 CO 0.14 -0.68 0.01 -0.06 -1.11 0.00 0.00 175.55 173.85 1oax s PHE 89 N 1.38 3.08 0.35 2.71 0.08 0.15 -2.22 117.98 123.51 1oax s PHE 89 Ca 0.04 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1oax s PHE 89 Cb -0.14 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1oax s PHE 89 CO -0.07 -0.11 0.52 0.00 -0.10 0.00 0.00 175.22 175.46 1oax s ALA 91 N -2.27 -0.39 -0.05 0.00 0.00 -0.66 -1.64 121.76 116.76 1oax s ALA 91 Ca 0.42 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1oax s ALA 91 Cb -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1oax s ALA 91 CO 0.34 -0.16 -0.25 -0.51 0.00 0.00 0.00 175.76 175.18 1oax s LEU 92 N 1.04 2.11 -0.14 0.00 1.43 -1.20 -2.18 118.68 119.74 1oax s LEU 92 Ca -0.08 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 1oax s LEU 92 Cb -0.10 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1oax s LEU 92 CO -0.06 0.27 0.53 0.86 0.23 0.00 0.00 176.35 178.19 1oax s TRP 93 N -0.34 3.48 -1.34 0.29 -0.11 -1.26 -1.77 118.94 117.89 1oax s TRP 93 Ca 0.02 0.92 0.19 0.00 1.22 0.00 0.00 56.10 58.45 1oax s TRP 93 Cb -0.12 -2.64 0.72 0.00 -1.50 0.00 0.00 33.47 29.92 1oax s TRP 93 CO 0.02 0.07 1.62 0.66 -4.62 0.00 0.00 176.95 174.69 1oax n TYR 94 N 4.06 1.40 0.00 5.86 4.02 -1.23 -4.65 117.16 126.62 1oax n TYR 94 Ca -0.05 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.26 1oax n TYR 94 Cb 0.51 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1oax n TYR 94 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1oax n SER 95 N 1.27 0.00 0.00 7.72 7.64 -1.26 -4.73 113.62 124.26 1oax n SER 95 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1oax n SER 95 Cb 0.84 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1oax n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1oax n ASN 96 N 0.00 0.00 0.00 6.43 6.94 -1.26 -5.14 115.26 122.23 1oax n ASN 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1oax n ASN 96 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1oax n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1oax n HIS 97 N 0.00 0.00 -3.80 -2.53 1.44 -1.26 -5.16 115.22 103.90 1oax n HIS 97 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1oax n HIS 97 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 1oax n HIS 97 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1oax s LEU 98 N 0.00 1.11 -0.29 2.39 1.43 -1.26 -3.58 118.68 118.48 1oax s LEU 98 Ca 0.00 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1oax s LEU 98 Cb 0.00 1.03 0.09 0.00 0.03 0.00 0.00 46.19 47.35 1oax s LEU 98 CO 0.00 -0.40 0.08 -0.69 0.23 0.00 0.00 176.35 175.58 1oax s VAL 99 N -1.25 0.84 1.16 -1.59 1.01 -0.73 -4.98 120.40 114.86 1oax s VAL 99 Ca -0.13 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 1oax s VAL 99 Cb -0.06 -1.57 0.27 0.00 0.00 0.00 0.00 36.38 35.01 1oax s VAL 99 CO 0.03 -0.59 1.10 -0.36 0.00 0.00 0.00 175.10 175.28 1oax s PHE 100 N 1.65 0.86 0.44 5.22 0.40 -1.26 -3.25 117.98 122.04 1oax s PHE 100 Ca 0.08 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.09 1oax s PHE 100 Cb -0.17 -3.40 0.07 0.00 0.51 0.00 0.00 43.02 40.03 1oax s PHE 100 CO -0.22 -3.67 0.61 0.41 0.70 0.00 0.00 175.22 173.05 1oax n GLY 101 N -0.96 1.91 0.92 4.36 0.00 -0.65 -4.33 105.19 106.45 1oax n GLY 101 Ca 0.11 -2.20 0.10 0.00 0.00 0.00 0.00 46.02 44.03 1oax n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oax n GLY 102 N -0.36 1.31 1.10 -0.02 0.00 -1.26 -4.91 105.19 101.04 1oax n GLY 102 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1oax n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oax n GLY 103 N 1.18 -4.36 3.63 -0.02 0.00 -1.26 -4.98 105.19 99.39 1oax n GLY 103 Ca 0.15 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1oax n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oax s THR 104 N -0.90 5.29 -0.43 2.61 2.01 -0.94 -4.79 115.64 118.48 1oax s THR 104 Ca 0.00 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.08 1oax s THR 104 Cb 0.00 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1oax s THR 104 CO 0.00 0.27 0.91 -0.75 -0.69 0.00 0.00 174.62 174.36 1oax s LYS 105 N 1.48 3.64 -0.27 4.92 2.20 -1.23 -2.36 119.74 128.12 1oax s LYS 105 Ca 0.11 0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.86 1oax s LYS 105 Cb -0.15 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 1oax s LYS 105 CO 0.08 -1.11 0.32 -1.17 -0.36 0.00 0.00 175.35 173.11 1oax s LEU 106 N 3.60 4.04 -0.17 5.43 2.96 -0.86 -2.39 118.68 131.29 1oax s LEU 106 Ca 0.37 0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1oax s LEU 106 Cb -0.11 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1oax s LEU 106 CO 0.23 -0.13 0.07 -0.89 -1.32 0.00 0.00 176.35 174.31 1oax s THR 107 N 1.91 4.86 -0.34 3.68 2.01 -1.12 -3.32 115.64 123.31 1oax s THR 107 Ca 0.13 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1oax s THR 107 Cb -0.16 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1oax s THR 107 CO 0.10 0.48 0.13 -0.69 -0.69 0.00 0.00 174.62 173.95 1oax s VAL 108 N 0.17 4.04 -2.00 3.82 1.01 -1.26 -2.42 120.40 123.76 1oax s VAL 108 Ca 0.05 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1oax s VAL 108 Cb -0.12 -3.26 0.25 0.00 0.00 0.00 0.00 36.38 33.25 1oax s VAL 108 CO 0.00 -0.17 0.97 0.18 0.00 0.00 0.00 175.10 176.08