#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker s THR 2 N 0.00 3.60 -0.30 0.00 -4.23 -1.26 -4.81 115.64 108.65 2ker s THR 2 Ca 0.00 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 2ker s THR 2 Cb 0.00 -4.37 0.17 0.00 1.34 0.00 0.00 72.50 69.64 2ker s THR 2 CO 0.00 -1.25 0.89 -0.83 -0.54 0.00 0.00 174.62 172.89 2ker s GLY 3 N 6.98 -0.49 0.30 3.99 0.00 -1.26 -5.17 107.32 111.67 2ker s GLY 3 Ca 0.63 2.60 -0.01 0.00 0.00 0.00 0.00 44.72 47.94 2ker s GLY 3 CO -0.02 3.47 0.52 -0.56 0.00 0.00 0.00 173.10 176.51 2ker s SER 4 N 2.77 6.36 0.66 1.64 0.01 -1.26 -5.08 113.70 118.80 2ker s SER 4 Ca 0.03 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.66 2ker s SER 4 Cb -0.10 -2.06 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 2ker s SER 4 CO -0.16 -0.21 1.16 -2.16 0.41 0.00 0.00 173.24 172.28 2ker s PRO 5 N -3.87 2.67 1.98 12.44 0.04 -1.26 -4.52 135.00 142.47 2ker s PRO 5 Ca 0.41 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2ker s PRO 5 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2ker s PRO 5 CO 0.33 -1.40 0.00 1.33 0.04 0.00 0.00 177.00 177.30 2ker n VAL 6 N -2.23 0.00 0.00 -0.36 0.24 -1.16 -1.30 118.33 113.51 2ker n VAL 6 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2ker n VAL 6 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2ker n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ker n ALA 7 N 4.90 1.35 0.00 2.33 0.00 -1.26 -4.75 120.51 123.08 2ker n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ker n ALA 7 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.99 0.00 0.12 0.00 1.02 -0.42 -4.64 120.64 115.73 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 -1.65 0.41 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.15 5.39 -0.05 0.00 -7.23 -1.26 0.28 120.40 114.39 2ker s VAL 10 Ca 0.09 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2ker s VAL 10 Cb 0.12 -3.44 0.03 0.00 0.56 0.00 0.00 36.38 33.65 2ker s VAL 10 CO 0.57 0.45 0.08 -0.70 -0.31 0.00 0.00 175.10 175.19 2ker s GLU 11 N -1.55 -0.01 0.36 4.82 2.12 0.47 -4.87 118.70 120.04 2ker s GLU 11 Ca 0.22 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.92 2ker s GLU 11 Cb -0.12 -0.32 -0.02 0.00 0.26 0.00 0.00 34.13 33.93 2ker s GLU 11 CO 0.12 -0.24 0.54 1.52 -0.54 0.00 0.00 175.26 176.66 2ker s TYR 12 N 1.62 3.33 -0.06 5.30 -0.85 -1.24 -0.02 117.35 125.43 2ker s TYR 12 Ca -0.03 0.14 -0.04 0.00 -0.52 0.00 0.00 57.07 56.61 2ker s TYR 12 Cb -0.12 -1.99 0.02 0.00 0.38 0.00 0.00 41.96 40.24 2ker s TYR 12 CO -0.04 -0.00 0.14 0.12 -1.52 0.00 0.00 175.55 174.25 2ker s PHE 13 N -2.31 -0.16 -0.20 -3.49 5.36 0.36 -4.92 117.98 112.62 2ker s PHE 13 Ca 0.43 0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 56.71 2ker s PHE 13 Cb -0.10 0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.57 2ker s PHE 13 CO 0.34 -0.09 0.08 -0.65 -1.46 0.00 0.00 175.22 173.44 2ker s GLN 14 N 0.28 3.93 0.00 10.12 1.11 -1.26 -0.77 119.66 133.08 2ker s GLN 14 Ca -0.02 -0.36 0.00 0.00 0.01 0.00 0.00 55.36 55.00 2ker s GLN 14 Cb -0.03 -3.29 0.00 0.00 -1.01 0.00 0.00 33.01 28.68 2ker s GLN 14 CO -0.01 0.15 0.00 0.43 0.01 0.00 0.00 175.29 175.87 2ker n SER 15 N 3.92 0.52 -4.56 5.90 7.64 -0.11 -5.00 113.62 121.94 2ker n SER 15 Ca -0.16 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.47 2ker n SER 15 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2ker n SER 15 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2ker s TRP 16 N 0.50 1.32 -1.68 1.43 -0.11 -1.26 -3.20 118.94 115.95 2ker s TRP 16 Ca 0.00 1.46 -0.00 0.00 1.22 0.00 0.00 56.10 58.78 2ker s TRP 16 Cb 0.00 -3.68 0.00 0.00 -1.50 0.00 0.00 33.47 28.29 2ker s TRP 16 CO 0.00 -1.94 0.00 0.54 -4.62 0.00 0.00 176.95 170.93 2ker n ARG 17 N 8.92 -1.57 -3.44 5.86 1.74 -1.26 -4.94 116.66 121.97 2ker n ARG 17 Ca 0.40 0.95 -0.16 0.00 -0.77 0.00 0.00 57.85 58.26 2ker n ARG 17 Cb 0.48 -5.54 -0.11 0.00 -1.02 0.00 0.00 32.46 26.27 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 -2.98 -0.43 -0.56 -1.55 6.14 -1.19 -3.83 117.35 112.95 2ker s TYR 18 Ca 0.00 0.18 -0.19 0.00 0.64 0.00 0.00 57.07 57.70 2ker s TYR 18 Cb -0.00 -0.34 0.09 0.00 0.42 0.00 0.00 41.96 42.13 2ker s TYR 18 CO 0.00 -0.74 0.67 0.99 0.64 0.00 0.00 175.55 177.11 2ker s THR 19 N 2.38 4.85 -0.42 4.34 2.01 0.41 -0.93 115.64 128.27 2ker s THR 19 Ca 0.09 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 2ker s THR 19 Cb -0.15 -4.41 0.02 0.00 0.01 0.00 0.00 72.50 67.97 2ker s THR 19 CO -0.20 -1.00 0.78 1.51 -0.69 0.00 0.00 174.62 175.02 2ker s ASP 20 N 3.27 6.46 -0.44 3.53 -4.77 0.05 -2.43 116.67 122.35 2ker s ASP 20 Ca 0.12 0.07 -0.15 0.00 -3.30 0.00 0.00 52.55 49.30 2ker s ASP 20 Cb -0.22 -2.39 0.05 0.00 -1.09 0.00 0.00 42.92 39.26 2ker s ASP 20 CO 0.08 -0.85 0.33 0.54 0.70 0.00 0.00 175.17 175.98 2ker s VAL 21 N 3.22 5.14 -0.35 2.11 0.11 -1.16 -0.49 120.40 128.98 2ker s VAL 21 Ca 0.30 -0.90 -0.15 0.00 -2.93 0.00 0.00 61.98 58.30 2ker s VAL 21 Cb -0.12 -3.97 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2ker s VAL 21 CO 0.21 -0.44 0.37 -1.38 -3.33 0.00 0.00 175.10 170.53 2ker s HIS 22 N 1.64 3.21 0.49 1.54 -3.43 0.97 -2.15 115.29 117.56 2ker s HIS 22 Ca 0.04 -0.07 -0.16 0.00 -0.80 0.00 0.00 55.06 54.07 2ker s HIS 22 Cb -0.22 -2.69 -0.08 0.00 -1.43 0.00 0.00 32.58 28.17 2ker s HIS 22 CO 0.08 -0.46 0.95 1.21 -2.00 0.00 0.00 174.74 174.52 2ker s ASN 23 N 1.74 6.65 -0.04 7.38 3.84 -0.41 -0.39 114.94 133.70 2ker s ASN 23 Ca 0.12 1.53 0.14 0.00 0.21 0.00 0.00 52.86 54.86 2ker s ASN 23 Cb -0.17 -2.49 0.26 0.00 -0.55 0.00 0.00 41.25 38.30 2ker s ASN 23 CO 0.12 -0.54 1.11 0.61 -2.79 0.00 0.00 177.10 175.61 2ker n GLY 24 N -1.43 1.72 3.93 1.21 0.00 0.14 -2.56 105.19 108.19 2ker n GLY 24 Ca 0.06 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2ker n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ker h ALA 26 N 0.01 1.00 -2.69 0.00 0.00 -1.98 -3.35 119.26 112.24 2ker h ALA 26 Ca -0.46 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.02 2ker h ALA 26 Cb 1.25 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 2ker h ALA 26 CO 0.60 0.00 -0.75 0.16 0.00 0.00 0.00 179.25 179.25 2ker s ASP 27 N -4.91 2.23 0.09 0.00 -4.77 -1.26 -4.73 116.67 103.32 2ker s ASP 27 Ca 0.10 -0.89 -0.31 0.00 -3.30 0.00 0.00 52.55 48.15 2ker s ASP 27 Cb 0.11 -0.09 -0.08 0.00 -1.09 0.00 0.00 42.92 41.76 2ker s ASP 27 CO 0.61 -0.15 1.60 0.00 0.70 0.00 0.00 175.17 177.93 2ker s ALA 28 N -2.42 3.70 0.06 2.11 0.00 -1.26 -4.27 121.76 119.67 2ker s ALA 28 Ca 0.14 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.39 2ker s ALA 28 Cb -0.03 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2ker s ALA 28 CO 0.04 -0.99 -0.21 0.14 0.00 0.00 0.00 175.76 174.75 2ker s VAL 29 N 2.18 1.69 -0.23 0.00 -7.23 -1.01 -4.87 120.40 110.93 2ker s VAL 29 Ca 0.72 -1.28 -0.15 0.00 -1.81 0.00 0.00 61.98 59.46 2ker s VAL 29 Cb -0.40 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2ker s VAL 29 CO 0.31 0.15 0.38 -0.44 -0.31 0.00 0.00 175.10 175.19 2ker s SER 30 N -1.34 6.34 0.13 4.85 0.01 -1.26 0.84 113.70 123.26 2ker s SER 30 Ca 0.07 0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.82 2ker s SER 30 Cb -0.09 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2ker s SER 30 CO 0.02 -0.12 -0.23 0.68 0.41 0.00 0.00 173.24 174.01 2ker s VAL 31 N 1.65 1.96 0.21 3.43 -7.23 0.81 0.81 120.40 122.02 2ker s VAL 31 Ca 0.17 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2ker s VAL 31 Cb -0.15 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 2ker s VAL 31 CO 0.08 -0.07 -0.06 0.28 -0.31 0.00 0.00 175.10 175.03 2ker s THR 32 N -1.34 1.22 -0.03 5.32 -1.32 0.26 0.55 115.64 120.29 2ker s THR 32 Ca 0.12 -2.07 0.01 0.00 -1.21 0.00 0.00 61.69 58.54 2ker s THR 32 Cb -0.09 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.76 2ker s THR 32 CO 0.06 -0.49 -0.04 0.68 -2.21 0.00 0.00 174.62 172.62 2ker s VAL 33 N -3.30 0.43 -0.32 5.08 -7.23 -1.26 0.40 120.40 114.21 2ker s VAL 33 Ca 0.24 -0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 2ker s VAL 33 Cb 0.04 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.51 2ker s VAL 33 CO 0.06 0.19 0.18 -0.70 -0.31 0.00 0.00 175.10 174.52 2ker s GLU 34 N 0.80 3.36 0.54 4.82 2.12 0.19 -4.01 118.70 126.52 2ker s GLU 34 Ca -0.10 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.46 2ker s GLU 34 Cb -0.13 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 2ker s GLU 34 CO -0.00 -0.44 0.86 0.71 -0.54 0.00 0.00 175.26 175.85 2ker s TYR 35 N 1.64 3.42 0.62 5.30 2.02 -1.26 -0.84 117.35 128.25 2ker s TYR 35 Ca 0.05 0.77 0.26 0.00 -0.37 0.00 0.00 57.07 57.78 2ker s TYR 35 Cb -0.17 -2.55 1.33 0.00 -0.40 0.00 0.00 41.96 40.18 2ker s TYR 35 CO 0.07 -0.58 1.76 1.15 -1.57 0.00 0.00 175.55 176.39 2ker h THR 36 N -0.01 0.17 0.00 -0.71 2.02 -0.91 -3.38 112.91 110.09 2ker h THR 36 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ker h THR 36 Cb 1.23 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2ker h THR 36 CO 0.61 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.91 2ker n HIS 37 N -3.29 0.00 0.00 3.16 8.25 -1.26 -4.94 115.22 117.14 2ker n HIS 37 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2ker n HIS 37 Cb 0.71 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.98 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 2.37 4.08 0.78 -1.41 0.00 -1.26 -5.07 105.19 104.68 2ker n GLY 38 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 2ker n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ker n GLN 39 N -0.58 0.00 -2.54 1.61 0.00 -1.26 -5.04 117.38 109.56 2ker n GLN 39 Ca 0.00 -0.67 -0.04 0.00 -0.00 0.00 0.00 57.00 56.29 2ker n GLN 39 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 30.24 30.35 2ker n GLN 39 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 2ker n TRP 40 N 0.05 -4.41 0.00 3.69 -0.00 -1.26 -5.01 117.44 110.49 2ker n TRP 40 Ca -0.10 2.59 0.00 0.00 -0.00 0.00 0.00 57.50 59.99 2ker n TRP 40 Cb 0.66 -3.78 0.00 0.00 -0.00 0.00 0.00 31.31 28.19 2ker n TRP 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ker n ALA 41 N 1.80 0.00 -1.36 5.87 0.00 -1.26 -5.07 120.51 120.50 2ker n ALA 41 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.77 2ker n ALA 41 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.49 0.00 0.00 0.00 -0.04 -1.26 -4.51 135.00 127.71 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 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.58 0.47 0.13 0.00 3.00 0.19 -3.99 118.95 118.16 2ker s ARG 44 Ca 0.00 0.86 -0.25 0.00 -1.00 0.00 0.00 55.73 55.35 2ker s ARG 44 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 34.95 34.91 2ker s ARG 44 CO 0.00 -0.15 0.76 0.54 0.00 0.00 0.00 175.30 176.45 2ker s VAL 45 N 1.34 4.49 0.05 7.11 0.11 -1.26 -0.14 120.40 132.11 2ker s VAL 45 Ca -0.09 1.66 -0.02 0.00 -2.93 0.00 0.00 61.98 60.60 2ker s VAL 45 Cb -0.07 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 2ker s VAL 45 CO -0.13 0.48 0.24 -0.51 -3.33 0.00 0.00 175.10 171.85 2ker s ILE 46 N -0.83 5.36 0.15 7.04 1.10 0.25 -4.93 121.20 129.34 2ker s ILE 46 Ca 0.36 -0.23 -0.19 0.00 -0.51 0.00 0.00 60.65 60.08 2ker s ILE 46 Cb -0.22 -3.61 -0.07 0.00 0.15 0.00 0.00 42.46 38.71 2ker s ILE 46 CO 0.25 0.18 0.64 -1.61 -2.11 0.00 0.00 174.94 172.29 2ker s GLU 47 N -2.36 4.21 -0.91 3.50 2.02 -1.26 -2.41 118.70 121.49 2ker s GLU 47 Ca 0.34 0.78 -0.19 0.00 0.02 0.00 0.00 54.97 55.91 2ker s GLU 47 Cb -0.13 -3.05 -0.25 0.00 0.10 0.00 0.00 34.13 30.80 2ker s GLU 47 CO 0.25 0.51 2.37 -2.30 0.02 0.00 0.00 175.26 176.11 2ker n PRO 48 N 1.16 0.20 -0.10 0.39 -0.02 -1.26 0.67 135.00 136.05 2ker n PRO 48 Ca -0.06 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2ker n PRO 48 Cb 0.51 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 6.04 0.94 1.86 -1.23 0.00 -1.06 -4.90 105.19 106.85 2ker n GLY 49 Ca 0.61 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.10 2.12 3.63 -0.02 0.00 0.21 -4.69 105.19 104.34 2ker n GLY 50 Ca 0.00 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.83 2.52 -0.16 1.61 0.52 -1.25 -1.29 118.94 120.06 2ker s TRP 51 Ca 0.27 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 2ker s TRP 51 Cb -0.02 -1.62 0.08 0.00 -1.15 0.00 0.00 33.47 30.75 2ker s TRP 51 CO 0.17 0.44 0.20 0.00 0.02 0.00 0.00 176.95 177.79 2ker s ALA 52 N -2.60 -0.24 0.01 0.98 0.00 -0.91 -4.80 121.76 114.20 2ker s ALA 52 Ca 0.35 0.38 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 2ker s ALA 52 Cb 0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2ker s ALA 52 CO 0.19 -0.98 0.86 0.99 0.00 0.00 0.00 175.76 176.82 2ker s THR 53 N 2.32 4.81 0.01 0.00 2.01 -1.26 -3.00 115.64 120.53 2ker s THR 53 Ca 0.05 1.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.87 2ker s THR 53 Cb -0.14 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 2ker s THR 53 CO -0.10 0.26 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.71 2ker s PHE 54 N 0.53 0.12 -0.55 4.92 0.08 -1.02 -4.95 117.98 117.12 2ker s PHE 54 Ca 0.45 -0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.98 2ker s PHE 54 Cb -0.21 -0.09 -0.10 0.00 -0.57 0.00 0.00 43.02 42.06 2ker s PHE 54 CO 0.25 -0.09 2.43 0.00 -0.10 0.00 0.00 175.22 177.71 2ker n ALA 55 N 2.41 0.81 -1.29 5.36 0.00 -1.26 -0.45 120.51 126.09 2ker n ALA 55 Ca -0.17 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 2ker n ALA 55 Cb 0.58 -2.94 0.21 0.00 0.00 0.00 0.00 19.45 17.29 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 10.78 1.61 -0.93 0.00 0.00 -1.25 -4.34 107.32 113.20 2ker s GLY 56 Ca 1.07 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 44.88 2ker s GLY 56 CO 0.34 -0.06 2.97 1.58 0.00 0.00 0.00 173.10 177.92 2ker n TYR 57 N -4.38 1.69 1.27 1.90 4.11 -1.20 -4.54 117.16 116.01 2ker n TYR 57 Ca 0.11 -2.42 0.10 0.00 -0.00 0.00 0.00 57.90 55.69 2ker n TYR 57 Cb 0.59 -1.91 0.36 0.00 -0.00 0.00 0.00 39.34 38.37 2ker n TYR 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ker n GLY 58 N 2.39 0.19 2.38 -7.48 0.00 -1.26 -3.40 105.19 98.01 2ker n GLY 58 Ca 0.61 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2ker n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ker n THR 59 N 0.23 0.36 0.00 2.61 -1.04 -1.26 -4.74 114.28 110.43 2ker n THR 59 Ca 0.15 -1.39 0.00 0.00 -2.04 0.00 0.00 64.05 60.77 2ker n THR 59 Cb 0.30 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 2ker n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2ker n ASP 60 N -0.89 0.00 0.00 8.00 8.00 -1.22 -4.84 116.55 125.60 2ker n ASP 60 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2ker n ASP 60 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ker n GLY 61 N 0.00 1.13 3.88 0.44 0.00 -1.26 -4.22 105.19 105.16 2ker n GLY 61 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.37 6.43 -0.20 1.61 0.02 -1.26 -4.75 114.94 114.42 2ker s ASN 62 Ca 0.00 0.50 0.01 0.00 -1.02 0.00 0.00 52.86 52.35 2ker s ASN 62 Cb 0.00 -2.08 0.04 0.00 0.02 0.00 0.00 41.25 39.23 2ker s ASN 62 CO 0.00 0.39 -0.10 -0.47 0.02 0.00 0.00 177.10 176.94 2ker s TYR 63 N -1.07 2.42 0.14 2.20 5.04 -1.26 -3.20 117.35 121.62 2ker s TYR 63 Ca 0.17 -1.61 -0.31 0.00 -2.44 0.00 0.00 57.07 52.88 2ker s TYR 63 Cb -0.12 -1.63 -0.11 0.00 0.35 0.00 0.00 41.96 40.45 2ker s TYR 63 CO 0.06 -0.75 1.83 0.14 -1.34 0.00 0.00 175.55 175.49 2ker s VAL 64 N 1.39 2.45 0.00 3.14 -7.23 -1.26 -0.20 120.40 118.69 2ker s VAL 64 Ca -0.02 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2ker s VAL 64 Cb -0.17 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2ker s VAL 64 CO -0.08 0.00 0.37 1.07 -0.31 0.00 0.00 175.10 176.15 2ker n THR 65 N 4.66 0.05 -3.23 5.32 5.66 -0.02 -4.92 114.28 121.79 2ker n THR 65 Ca 0.18 -0.07 -0.02 0.00 -3.05 0.00 0.00 64.05 61.09 2ker n THR 65 Cb 0.38 1.29 -0.04 0.00 -1.55 0.00 0.00 70.33 70.41 2ker n THR 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ker s GLY 66 N -0.05 -0.80 -0.06 1.09 0.00 -1.04 -4.96 107.32 101.49 2ker s GLY 66 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 44.72 45.67 2ker s GLY 66 CO 0.00 3.16 0.89 1.08 0.00 0.00 0.00 173.10 178.23 2ker s LEU 67 N 2.72 4.31 0.03 0.66 1.43 -1.26 0.57 118.68 127.14 2ker s LEU 67 Ca 0.15 1.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 2ker s LEU 67 Cb -0.14 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2ker s LEU 67 CO -0.21 -0.27 -0.23 -1.00 0.23 0.00 0.00 176.35 174.86 2ker s HIS 68 N 1.28 2.06 0.02 0.29 3.76 0.16 -3.01 115.29 119.85 2ker s HIS 68 Ca 0.46 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 2ker s HIS 68 Cb -0.19 -1.26 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 2ker s HIS 68 CO 0.22 0.07 1.07 0.99 -0.85 0.00 0.00 174.74 176.23 2ker s THR 69 N -0.73 4.55 0.20 1.30 2.01 -1.26 0.89 115.64 122.60 2ker s THR 69 Ca 0.09 1.83 0.04 0.00 0.31 0.00 0.00 61.69 63.96 2ker s THR 69 Cb -0.09 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2ker s THR 69 CO 0.01 0.13 0.33 0.00 -0.69 0.00 0.00 174.62 174.41 2ker s ASP 71 N -3.65 5.27 0.00 0.00 1.47 -1.26 -4.26 116.67 114.24 2ker s ASP 71 Ca 0.34 0.02 0.00 0.00 1.18 0.00 0.00 52.55 54.10 2ker s ASP 71 Cb -0.10 -1.41 0.00 0.00 -0.34 0.00 0.00 42.92 41.07 2ker s ASP 71 CO 0.29 0.27 0.00 -2.65 0.68 0.00 0.00 175.17 173.76 2ker n PRO 72 N 1.27 0.00 -3.37 2.11 -0.01 -1.26 -4.75 135.00 128.98 2ker n PRO 72 Ca -0.14 0.00 0.02 0.00 -0.01 0.00 0.00 63.50 63.37 2ker n PRO 72 Cb 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 33.50 33.97 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 -2.81 -0.03 3.55 0.00 -1.26 -5.17 121.76 116.04 2ker s ALA 73 Ca 0.00 2.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.93 2ker s ALA 73 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.04 2ker s ALA 73 CO 0.00 -0.89 0.07 -0.08 0.00 0.00 0.00 175.76 174.86 2ker s THR 74 N 2.23 -0.01 -0.49 0.00 -1.32 -1.26 -4.35 115.64 110.44 2ker s THR 74 Ca -0.02 0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.20 2ker s THR 74 Cb -0.04 -0.11 -0.08 0.00 -1.51 0.00 0.00 72.50 70.75 2ker s THR 74 CO -0.17 0.01 2.41 -0.81 -2.21 0.00 0.00 174.62 173.85 2ker n PRO 75 N 3.17 1.08 -2.64 7.08 -0.04 -1.26 -4.88 135.00 137.52 2ker n PRO 75 Ca -0.14 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 2ker n PRO 75 Cb 0.59 -3.19 -0.01 0.00 -0.04 0.00 0.00 33.50 30.84 2ker n PRO 75 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ker s SER 76 N 11.16 6.79 0.00 3.54 0.01 -1.26 -4.71 113.70 129.24 2ker s SER 76 Ca 1.03 -2.29 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2ker s SER 76 Cb -0.33 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.35 2ker s SER 76 CO 0.31 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2ker n GLY 77 N 5.56 0.70 0.48 3.44 0.00 -1.26 -5.33 105.19 108.78 2ker n GLY 77 Ca 0.43 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.59 2ker n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70