#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker h THR 2 N 0.00 0.69 0.00 0.00 1.35 -2.09 -3.47 112.91 109.39 2ker h THR 2 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2ker h THR 2 Cb 0.00 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2ker h THR 2 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2ker n GLY 3 N 0.31 -1.86 2.90 5.82 0.00 -1.26 -5.10 105.19 106.00 2ker n GLY 3 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.72 2ker n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ker n SER 4 N 0.00 -7.79 -0.05 1.61 7.64 -1.26 -4.96 113.62 108.81 2ker n SER 4 Ca 0.00 0.49 -0.15 0.00 1.01 0.00 0.00 58.87 60.21 2ker n SER 4 Cb 0.00 -5.14 -0.07 0.00 -1.01 0.00 0.00 64.21 58.00 2ker n SER 4 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ker h PRO 5 N 2.00 0.62 -2.08 1.43 0.13 -1.94 -3.45 132.00 128.71 2ker h PRO 5 Ca -0.04 -0.43 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2ker h PRO 5 Cb 1.03 0.06 -0.23 0.00 0.13 0.00 0.00 31.00 32.00 2ker h PRO 5 CO 0.20 1.05 -0.23 0.54 -0.23 0.00 0.00 178.00 179.33 2ker s VAL 6 N -3.95 -0.87 0.00 1.56 0.11 -1.26 -3.73 120.40 112.26 2ker s VAL 6 Ca -0.12 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2ker s VAL 6 Cb 0.07 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 2ker s VAL 6 CO 0.84 0.02 0.00 0.00 -3.33 0.00 0.00 175.10 172.62 2ker n ALA 7 N 5.43 0.00 0.00 1.54 0.00 -1.26 -4.10 120.51 122.11 2ker n ALA 7 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ker n ALA 7 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2ker n ALA 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ker n GLU 8 N -1.46 0.00 0.00 0.00 1.02 -1.26 -4.61 120.64 114.34 2ker n GLU 8 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2ker n GLU 8 Cb 0.00 -0.74 0.35 0.00 -0.02 0.00 0.00 31.44 31.02 2ker n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ker s VAL 10 N -3.01 5.24 -0.06 0.00 -7.23 -1.26 -0.51 120.40 113.57 2ker s VAL 10 Ca 0.12 0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 60.89 2ker s VAL 10 Cb 0.18 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.51 2ker s VAL 10 CO 0.65 0.48 0.00 -0.70 -0.31 0.00 0.00 175.10 175.23 2ker s GLU 11 N -0.26 0.57 0.30 4.82 2.12 0.19 -4.91 118.70 121.54 2ker s GLU 11 Ca 0.19 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.66 2ker s GLU 11 Cb -0.14 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 2ker s GLU 11 CO 0.07 -0.27 0.45 1.52 -0.54 0.00 0.00 175.26 176.49 2ker s TYR 12 N 1.82 3.38 0.05 5.30 -0.85 -1.24 0.22 117.35 126.04 2ker s TYR 12 Ca 0.02 0.05 -0.11 0.00 -0.52 0.00 0.00 57.07 56.51 2ker s TYR 12 Cb -0.12 -1.78 0.01 0.00 0.38 0.00 0.00 41.96 40.44 2ker s TYR 12 CO -0.04 0.22 0.24 0.12 -1.52 0.00 0.00 175.55 174.56 2ker s PHE 13 N -2.14 0.00 -0.19 -3.49 5.36 -0.05 -4.93 117.98 112.55 2ker s PHE 13 Ca 0.39 -0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 56.09 2ker s PHE 13 Cb -0.09 0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 2ker s PHE 13 CO 0.32 -0.48 -0.03 1.14 -1.46 0.00 0.00 175.22 174.71 2ker s GLN 14 N -2.76 3.54 -0.45 10.12 0.00 -1.26 -0.45 119.66 128.40 2ker s GLN 14 Ca -0.04 -0.57 0.05 0.00 -0.00 0.00 0.00 55.36 54.81 2ker s GLN 14 Cb -0.00 -2.98 0.19 0.00 0.00 0.00 0.00 33.01 30.22 2ker s GLN 14 CO -0.05 0.02 0.42 0.45 0.00 0.00 0.00 175.29 176.13 2ker n SER 15 N 4.18 0.27 -2.87 12.60 2.88 -0.07 -4.99 113.62 125.62 2ker n SER 15 Ca -0.18 -2.59 -0.05 0.00 -1.33 0.00 0.00 58.87 54.72 2ker n SER 15 Cb 0.52 -0.60 0.01 0.00 -0.75 0.00 0.00 64.21 63.38 2ker n SER 15 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2ker n TRP 16 N 2.31 -3.26 -1.16 0.66 -0.00 -1.26 -3.59 117.44 111.15 2ker n TRP 16 Ca 0.27 1.40 -0.05 0.00 -0.00 0.00 0.00 57.50 59.12 2ker n TRP 16 Cb 0.47 -3.49 -0.02 0.00 -0.00 0.00 0.00 31.31 28.27 2ker n TRP 16 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2ker n ARG 17 N 0.47 -1.11 -3.54 5.87 1.74 -1.26 -4.92 116.66 113.92 2ker n ARG 17 Ca 0.02 0.58 -0.29 0.00 -0.77 0.00 0.00 57.85 57.40 2ker n ARG 17 Cb 0.23 -4.57 -0.14 0.00 -1.02 0.00 0.00 32.46 26.96 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2ker s TYR 18 N -1.84 0.60 -0.66 -1.55 6.14 -1.24 -2.96 117.35 115.86 2ker s TYR 18 Ca 0.00 -1.23 -0.23 0.00 0.64 0.00 0.00 57.07 56.25 2ker s TYR 18 Cb 0.00 -1.00 0.07 0.00 0.42 0.00 0.00 41.96 41.45 2ker s TYR 18 CO 0.00 -0.83 0.98 0.99 0.64 0.00 0.00 175.55 177.33 2ker s THR 19 N 1.68 4.29 -0.43 4.34 2.01 0.56 -0.89 115.64 127.19 2ker s THR 19 Ca 0.12 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 2ker s THR 19 Cb -0.19 -4.69 0.02 0.00 0.01 0.00 0.00 72.50 67.66 2ker s THR 19 CO -0.23 -1.46 0.97 1.51 -0.69 0.00 0.00 174.62 174.72 2ker s ASP 20 N 3.63 6.59 -0.44 3.53 -4.77 0.41 -2.57 116.67 123.04 2ker s ASP 20 Ca 0.23 0.34 -0.13 0.00 -3.30 0.00 0.00 52.55 49.69 2ker s ASP 20 Cb -0.16 -2.48 0.06 0.00 -1.09 0.00 0.00 42.92 39.25 2ker s ASP 20 CO 0.11 -1.03 0.33 0.54 0.70 0.00 0.00 175.17 175.81 2ker s VAL 21 N 3.82 4.94 -0.39 2.11 0.11 -1.17 -0.87 120.40 128.96 2ker s VAL 21 Ca 0.40 -1.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.25 2ker s VAL 21 Cb -0.10 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.85 2ker s VAL 21 CO 0.25 -0.47 0.38 -1.38 -3.33 0.00 0.00 175.10 170.55 2ker s HIS 22 N 1.59 3.20 0.61 1.54 -3.43 0.13 -2.22 115.29 116.71 2ker s HIS 22 Ca 0.04 -0.28 -0.10 0.00 -0.80 0.00 0.00 55.06 53.91 2ker s HIS 22 Cb -0.22 -2.75 -0.04 0.00 -1.43 0.00 0.00 32.58 28.13 2ker s HIS 22 CO 0.06 -0.58 1.01 1.21 -2.00 0.00 0.00 174.74 174.44 2ker s ASN 23 N 1.76 6.23 -0.06 7.38 3.84 -0.51 -0.63 114.94 132.94 2ker s ASN 23 Ca 0.11 1.37 0.09 0.00 0.21 0.00 0.00 52.86 54.63 2ker s ASN 23 Cb -0.17 -2.44 0.18 0.00 -0.55 0.00 0.00 41.25 38.27 2ker s ASN 23 CO 0.12 -0.84 1.12 0.61 -2.79 0.00 0.00 177.10 175.32 2ker n GLY 24 N -2.70 0.91 0.16 1.21 0.00 0.33 -2.78 105.19 102.31 2ker n GLY 24 Ca 0.05 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2ker n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ker n ALA 26 N -2.02 0.00 -2.46 0.00 0.00 -1.26 -5.01 120.51 109.76 2ker n ALA 26 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 2ker n ALA 26 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 2ker n ALA 26 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ker s ASP 27 N -3.30 2.67 -0.03 0.00 -4.77 -1.26 -4.68 116.67 105.30 2ker s ASP 27 Ca 0.00 -0.86 -0.30 0.00 -3.30 0.00 0.00 52.55 48.09 2ker s ASP 27 Cb 0.00 -0.16 -0.05 0.00 -1.09 0.00 0.00 42.92 41.62 2ker s ASP 27 CO 0.00 -0.03 1.47 0.00 0.70 0.00 0.00 175.17 177.31 2ker s ALA 28 N -2.02 3.61 -0.02 2.11 0.00 -1.26 -4.11 121.76 120.07 2ker s ALA 28 Ca 0.15 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.05 2ker s ALA 28 Cb -0.06 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 2ker s ALA 28 CO 0.06 -1.09 -0.18 0.14 0.00 0.00 0.00 175.76 174.70 2ker s VAL 29 N 2.97 1.43 -0.26 0.00 -7.23 -1.04 -4.88 120.40 111.39 2ker s VAL 29 Ca 0.66 -0.77 -0.21 0.00 -1.81 0.00 0.00 61.98 59.85 2ker s VAL 29 Cb -0.32 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 2ker s VAL 29 CO 0.26 0.41 0.66 -0.44 -0.31 0.00 0.00 175.10 175.68 2ker s SER 30 N -0.41 6.61 0.34 4.85 0.01 -1.26 0.85 113.70 124.70 2ker s SER 30 Ca 0.06 0.73 0.09 0.00 1.31 0.00 0.00 55.95 58.14 2ker s SER 30 Cb -0.07 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2ker s SER 30 CO -0.01 -0.41 0.00 0.68 0.41 0.00 0.00 173.24 173.92 2ker s VAL 31 N 2.58 2.54 0.08 3.43 -7.23 0.78 0.91 120.40 123.49 2ker s VAL 31 Ca 0.28 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2ker s VAL 31 Cb -0.15 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2ker s VAL 31 CO 0.09 -0.19 0.25 0.28 -0.31 0.00 0.00 175.10 175.22 2ker s THR 32 N -2.54 0.11 -0.01 5.32 -1.32 0.13 0.85 115.64 118.18 2ker s THR 32 Ca 0.35 -0.94 0.02 0.00 -1.21 0.00 0.00 61.69 59.90 2ker s THR 32 Cb 0.01 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2ker s THR 32 CO 0.19 -0.52 -0.06 0.68 -2.21 0.00 0.00 174.62 172.70 2ker s VAL 33 N -3.39 0.48 -0.23 5.08 -7.23 -1.26 0.35 120.40 114.21 2ker s VAL 33 Ca 0.01 -0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 59.85 2ker s VAL 33 Cb 0.02 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.49 2ker s VAL 33 CO -0.09 0.15 0.13 -0.70 -0.31 0.00 0.00 175.10 174.29 2ker s GLU 34 N 0.04 4.03 0.44 4.82 2.56 0.22 -3.95 118.70 126.86 2ker s GLU 34 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.97 54.69 2ker s GLU 34 Cb -0.04 -3.45 0.00 0.00 2.00 0.00 0.00 34.13 32.64 2ker s GLU 34 CO -0.00 0.10 0.63 0.71 -0.56 0.00 0.00 175.26 176.14 2ker s TYR 35 N 0.91 3.13 0.65 5.30 2.02 -1.26 0.51 117.35 128.61 2ker s TYR 35 Ca 0.07 0.07 0.23 0.00 -0.37 0.00 0.00 57.07 57.06 2ker s TYR 35 Cb -0.13 -2.30 1.19 0.00 -0.40 0.00 0.00 41.96 40.32 2ker s TYR 35 CO 0.03 -0.35 1.67 1.15 -1.57 0.00 0.00 175.55 176.48 2ker h THR 36 N 0.48 0.05 0.00 -0.71 2.02 -0.32 -3.26 112.91 111.16 2ker h THR 36 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2ker h THR 36 Cb 1.26 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2ker h THR 36 CO 0.55 0.00 -0.02 1.41 0.37 0.00 0.00 175.52 177.84 2ker n HIS 37 N -2.93 0.00 0.00 3.16 8.25 -1.26 -4.94 115.22 117.50 2ker n HIS 37 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2ker n HIS 37 Cb 0.62 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.73 2ker n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ker n GLY 38 N 3.40 0.12 3.81 -1.41 0.00 -1.23 -5.15 105.19 104.73 2ker n GLY 38 Ca -0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2ker n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ker s GLN 39 N 0.00 2.96 -0.24 1.61 -1.52 -1.26 -4.93 119.66 116.28 2ker s GLN 39 Ca 0.00 1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 54.14 2ker s GLN 39 Cb 0.00 -1.99 -0.03 0.00 -0.22 0.00 0.00 33.01 30.77 2ker s GLN 39 CO 0.00 -1.09 1.80 -0.46 -0.25 0.00 0.00 175.29 175.29 2ker s TRP 40 N -2.92 1.80 0.00 0.91 -0.11 -1.26 -4.31 118.94 113.05 2ker s TRP 40 Ca 0.59 0.49 0.00 0.00 1.22 0.00 0.00 56.10 58.40 2ker s TRP 40 Cb -0.15 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 27.77 2ker s TRP 40 CO 0.52 -3.33 0.00 0.00 -4.62 0.00 0.00 176.95 169.51 2ker n ALA 41 N 9.48 0.00 -1.28 5.86 0.00 -1.26 -5.08 120.51 128.23 2ker n ALA 41 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 2ker n ALA 41 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 2ker n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ker n PRO 42 N -1.82 0.00 0.00 0.00 -0.04 -1.25 -4.55 135.00 127.34 2ker n PRO 42 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ker n PRO 42 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2ker n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ker s ARG 44 N -1.18 0.63 0.09 0.00 3.00 0.25 -4.17 118.95 117.57 2ker s ARG 44 Ca 0.00 1.10 -0.26 0.00 -1.00 0.00 0.00 55.73 55.57 2ker s ARG 44 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 34.95 35.00 2ker s ARG 44 CO 0.00 -0.15 0.82 0.54 0.00 0.00 0.00 175.30 176.51 2ker s VAL 45 N 1.51 4.59 0.11 7.11 0.11 -1.26 -0.16 120.40 132.40 2ker s VAL 45 Ca -0.09 1.75 -0.08 0.00 -2.93 0.00 0.00 61.98 60.63 2ker s VAL 45 Cb -0.06 -4.17 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 2ker s VAL 45 CO -0.17 0.39 0.40 -0.51 -3.33 0.00 0.00 175.10 171.88 2ker s ILE 46 N -0.28 5.11 0.12 7.04 1.10 0.25 -4.92 121.20 129.62 2ker s ILE 46 Ca 0.40 0.33 -0.19 0.00 -0.51 0.00 0.00 60.65 60.68 2ker s ILE 46 Cb -0.22 -3.63 -0.07 0.00 0.15 0.00 0.00 42.46 38.69 2ker s ILE 46 CO 0.25 0.20 0.61 -1.61 -2.11 0.00 0.00 174.94 172.28 2ker s GLU 47 N -2.18 4.21 -0.95 3.50 2.02 -1.26 -2.50 118.70 121.55 2ker s GLU 47 Ca 0.36 0.77 -0.26 0.00 0.02 0.00 0.00 54.97 55.85 2ker s GLU 47 Cb -0.13 -3.13 -0.22 0.00 0.10 0.00 0.00 34.13 30.74 2ker s GLU 47 CO 0.20 0.57 2.48 -2.30 0.02 0.00 0.00 175.26 176.22 2ker n PRO 48 N 1.39 0.00 -0.53 0.39 -0.02 -1.26 0.12 135.00 135.09 2ker n PRO 48 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2ker n PRO 48 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2ker n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ker n GLY 49 N 6.01 0.72 2.67 -1.23 0.00 -1.12 -4.86 105.19 107.37 2ker n GLY 49 Ca 0.63 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 2ker n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ker n GLY 50 N -2.53 1.33 3.62 -0.02 0.00 0.32 -4.62 105.19 103.29 2ker n GLY 50 Ca 0.00 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 2ker n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ker s TRP 51 N -1.75 2.53 -0.10 1.61 0.52 -1.25 -1.43 118.94 119.08 2ker s TRP 51 Ca 0.43 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 56.07 2ker s TRP 51 Cb -0.03 -1.50 0.04 0.00 -1.15 0.00 0.00 33.47 30.84 2ker s TRP 51 CO 0.28 0.48 0.07 0.00 0.02 0.00 0.00 176.95 177.80 2ker s ALA 52 N -2.54 0.37 -0.09 0.98 0.00 -0.94 -4.80 121.76 114.74 2ker s ALA 52 Ca 0.35 -0.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 2ker s ALA 52 Cb 0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2ker s ALA 52 CO 0.19 -0.77 0.77 0.99 0.00 0.00 0.00 175.76 176.94 2ker s THR 53 N 2.13 4.98 -0.00 0.00 2.01 -1.26 -3.04 115.64 120.46 2ker s THR 53 Ca 0.04 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2ker s THR 53 Cb -0.14 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 2ker s THR 53 CO -0.06 0.17 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.65 2ker s PHE 54 N 1.26 0.30 -0.73 4.92 0.08 -1.06 -4.95 117.98 117.80 2ker s PHE 54 Ca 0.39 -0.05 -0.28 0.00 0.12 0.00 0.00 56.93 57.10 2ker s PHE 54 Cb -0.18 -0.21 -0.14 0.00 -0.57 0.00 0.00 43.02 41.92 2ker s PHE 54 CO 0.17 -0.01 2.55 0.00 -0.10 0.00 0.00 175.22 177.83 2ker n ALA 55 N 3.06 0.55 -1.31 5.36 0.00 -1.26 -0.33 120.51 126.58 2ker n ALA 55 Ca -0.13 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 2ker n ALA 55 Cb 0.58 -2.77 0.20 0.00 0.00 0.00 0.00 19.45 17.47 2ker n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ker s GLY 56 N 10.73 1.61 -0.95 0.00 0.00 -1.16 -4.32 107.32 113.22 2ker s GLY 56 Ca 1.16 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 2ker s GLY 56 CO 0.37 -0.05 1.30 -2.52 0.00 0.00 0.00 173.10 172.19 2ker s TYR 57 N -3.19 2.74 -0.11 1.90 1.13 -1.21 -4.13 117.35 114.49 2ker s TYR 57 Ca 0.69 -0.99 -0.27 0.00 -1.41 0.00 0.00 57.07 55.09 2ker s TYR 57 Cb -0.11 -4.52 -0.23 0.00 -1.10 0.00 0.00 41.96 35.99 2ker s TYR 57 CO 0.55 -1.77 0.88 0.78 -2.51 0.00 0.00 175.55 173.48 2ker h GLY 58 N 11.85 -0.01 -1.24 5.49 0.00 -1.91 -3.38 103.07 113.88 2ker h GLY 58 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2ker h GLY 58 CO 1.29 -0.00 -0.17 -1.30 0.00 0.00 0.00 176.54 176.35 2ker n THR 59 N -4.69 2.27 -1.21 4.70 -2.24 -1.26 -4.92 114.28 106.93 2ker n THR 59 Ca -0.09 -2.66 -0.07 0.00 -2.27 0.00 0.00 64.05 58.96 2ker n THR 59 Cb 0.40 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2ker n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ker n ASP 60 N -1.09 -5.02 0.00 3.42 9.92 -1.26 -4.93 116.55 117.58 2ker n ASP 60 Ca 0.24 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2ker n ASP 60 Cb 0.83 -3.16 0.00 0.00 -0.64 0.00 0.00 41.12 38.15 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ker n GLY 61 N -0.57 0.48 3.55 0.44 0.00 -1.26 -4.75 105.19 103.08 2ker n GLY 61 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2ker n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ker s ASN 62 N -1.31 6.35 -0.23 1.61 0.02 -1.26 -4.59 114.94 115.53 2ker s ASN 62 Ca 0.00 -0.06 -0.01 0.00 -1.02 0.00 0.00 52.86 51.76 2ker s ASN 62 Cb 0.00 -2.29 0.02 0.00 0.02 0.00 0.00 41.25 39.00 2ker s ASN 62 CO 0.00 -0.57 -0.08 -0.47 0.02 0.00 0.00 177.10 175.99 2ker s TYR 63 N 2.55 3.00 0.18 2.20 5.04 -1.26 -3.35 117.35 125.71 2ker s TYR 63 Ca 0.21 -1.48 -0.32 0.00 -2.44 0.00 0.00 57.07 53.04 2ker s TYR 63 Cb -0.15 -2.04 -0.11 0.00 0.35 0.00 0.00 41.96 40.01 2ker s TYR 63 CO 0.15 -0.71 1.70 0.14 -1.34 0.00 0.00 175.55 175.49 2ker s VAL 64 N 1.34 2.28 0.00 3.14 -7.23 -1.26 0.40 120.40 119.07 2ker s VAL 64 Ca 0.02 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2ker s VAL 64 Cb -0.16 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2ker s VAL 64 CO -0.06 0.01 0.00 0.35 -0.31 0.00 0.00 175.10 175.09 2ker n THR 65 N 4.14 0.00 -3.58 5.32 -2.24 0.18 -4.89 114.28 113.21 2ker n THR 65 Ca 0.16 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 2ker n THR 65 Cb 0.37 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 68.99 2ker n THR 65 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ker s GLY 66 N -0.96 0.25 0.40 3.38 0.00 -1.03 -4.96 107.32 104.39 2ker s GLY 66 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.42 2ker s GLY 66 CO 0.00 1.82 0.87 1.08 0.00 0.00 0.00 173.10 176.87 2ker s LEU 67 N 2.19 3.96 0.09 0.66 1.43 -1.26 0.73 118.68 126.48 2ker s LEU 67 Ca 0.03 1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 2ker s LEU 67 Cb -0.16 -4.35 0.01 0.00 0.03 0.00 0.00 46.19 41.72 2ker s LEU 67 CO -0.09 -0.32 0.23 -1.00 0.23 0.00 0.00 176.35 175.39 2ker s HIS 68 N -2.15 0.08 -0.09 0.29 3.76 0.16 -4.42 115.29 112.91 2ker s HIS 68 Ca 0.58 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.74 2ker s HIS 68 Cb -0.10 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.58 2ker s HIS 68 CO 0.17 -0.57 0.94 0.95 -0.85 0.00 0.00 174.74 175.38 2ker s THR 69 N -3.76 4.85 0.39 1.30 -4.23 -1.24 0.17 115.64 113.10 2ker s THR 69 Ca 0.04 1.92 0.06 0.00 -1.18 0.00 0.00 61.69 62.53 2ker s THR 69 Cb 0.04 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.62 2ker s THR 69 CO -0.11 0.07 0.54 0.00 -0.54 0.00 0.00 174.62 174.58 2ker s ASP 71 N -4.25 2.53 0.00 0.00 -4.77 -1.26 -4.38 116.67 104.54 2ker s ASP 71 Ca 0.49 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 2ker s ASP 71 Cb -0.10 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.50 2ker s ASP 71 CO 0.33 0.19 0.00 -2.65 0.70 0.00 0.00 175.17 173.74 2ker n PRO 72 N 2.02 0.00 -3.09 2.11 -0.01 -1.26 -4.78 135.00 129.99 2ker n PRO 72 Ca -0.17 0.00 0.04 0.00 -0.01 0.00 0.00 63.50 63.36 2ker n PRO 72 Cb 0.53 0.00 -0.00 0.00 -0.01 0.00 0.00 33.50 34.02 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ker s ALA 73 N 0.00 -3.44 -0.35 3.55 0.00 -1.26 -5.14 121.76 115.11 2ker s ALA 73 Ca 0.00 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 2ker s ALA 73 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 2ker s ALA 73 CO 0.00 -2.12 0.43 0.99 0.00 0.00 0.00 175.76 175.07 2ker s THR 74 N 2.59 5.10 0.02 0.00 2.01 -1.26 -4.69 115.64 119.41 2ker s THR 74 Ca 0.19 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2ker s THR 74 Cb -0.03 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 2ker s THR 74 CO -0.20 -0.18 1.58 -2.16 -0.69 0.00 0.00 174.62 172.97 2ker s PRO 75 N 2.18 4.22 -0.58 4.92 0.04 -1.26 -3.90 135.00 140.63 2ker s PRO 75 Ca 0.15 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 2ker s PRO 75 Cb -0.16 -3.67 0.01 0.00 0.04 0.00 0.00 34.50 30.72 2ker s PRO 75 CO 0.13 -0.71 0.64 0.43 0.04 0.00 0.00 177.00 177.52 2ker n SER 76 N 5.83 -7.77 0.00 6.66 7.64 -1.26 -5.00 113.62 119.72 2ker n SER 76 Ca 0.15 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2ker n SER 76 Cb 0.42 -5.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 2ker n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ker n GLY 77 N -1.06 1.94 3.85 0.23 0.00 -1.25 -5.22 105.19 103.68 2ker n GLY 77 Ca 0.06 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2ker n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70