#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker n THR 2 N 0.00 0.00 -2.75 0.00 -1.04 -1.26 -5.09 114.28 104.13 2ker n THR 2 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2ker n THR 2 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 2ker n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ker n GLY 3 N -0.43 -0.50 3.09 3.41 0.00 -1.26 -5.02 105.19 104.48 2ker n GLY 3 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 2.65 -6.60 -4.78 1.61 7.64 -1.26 -5.02 113.62 107.85 2ker n SER 4 Ca 0.16 -0.53 -0.38 0.00 1.01 0.00 0.00 58.87 59.14 2ker n SER 4 Cb 0.58 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.78 2ker n SER 4 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ker s PRO 5 N -4.00 4.09 2.53 1.43 0.04 -1.26 -4.85 135.00 132.98 2ker s PRO 5 Ca 0.33 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2ker s PRO 5 Cb -0.04 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2ker s PRO 5 CO 0.69 0.45 0.00 1.33 0.04 0.00 0.00 177.00 179.52 2ker n VAL 6 N 2.71 0.00 0.00 -0.36 0.24 -1.20 -0.91 118.33 118.81 2ker n VAL 6 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2ker n VAL 6 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 4.87 1.37 0.00 2.33 0.00 -1.26 -4.81 120.51 123.01 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 -0.75 0.00 0.00 0.00 1.02 -0.09 -4.59 120.64 116.23 2ker n GLU 8 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 2ker n GLU 8 Cb 0.00 -0.15 0.69 0.00 -0.02 0.00 0.00 31.44 31.96 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 -2.70 5.46 -0.06 0.00 -7.23 -1.26 -0.36 120.40 114.24 2ker s VAL 10 Ca 0.23 0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 60.61 2ker s VAL 10 Cb 0.19 -3.44 0.04 0.00 0.56 0.00 0.00 36.38 33.73 2ker s VAL 10 CO 0.46 0.59 0.13 -0.70 -0.31 0.00 0.00 175.10 175.27 2ker s GLU 11 N -1.12 0.04 0.44 4.82 2.12 0.20 -4.86 118.70 120.34 2ker s GLU 11 Ca 0.17 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.92 2ker s GLU 11 Cb -0.12 -0.24 -0.00 0.00 0.26 0.00 0.00 34.13 34.02 2ker s GLU 11 CO 0.06 -0.22 0.64 1.52 -0.54 0.00 0.00 175.26 176.72 2ker s TYR 12 N 1.56 3.20 0.05 5.30 -0.85 -1.24 0.32 117.35 125.68 2ker s TYR 12 Ca -0.05 0.16 -0.06 0.00 -0.52 0.00 0.00 57.07 56.61 2ker s TYR 12 Cb -0.12 -2.28 -0.01 0.00 0.38 0.00 0.00 41.96 39.93 2ker s TYR 12 CO -0.05 -0.32 0.10 0.12 -1.52 0.00 0.00 175.55 173.87 2ker s PHE 13 N -2.50 0.23 -0.40 -3.49 5.36 -0.06 -4.90 117.98 112.22 2ker s PHE 13 Ca 0.48 -0.59 -0.10 0.00 -0.96 0.00 0.00 56.93 55.76 2ker s PHE 13 Cb -0.10 -0.16 0.05 0.00 -0.34 0.00 0.00 43.02 42.48 2ker s PHE 13 CO 0.37 -0.40 0.23 1.14 -1.46 0.00 0.00 175.22 175.10 2ker s GLN 14 N -3.02 2.71 -1.03 10.12 -2.07 -1.26 -0.94 119.66 124.16 2ker s GLN 14 Ca -0.01 -1.28 -0.05 0.00 -1.82 0.00 0.00 55.36 52.19 2ker s GLN 14 Cb 0.01 -3.75 0.27 0.00 -1.09 0.00 0.00 33.01 28.45 2ker s GLN 14 CO -0.06 -0.83 1.08 0.43 -1.32 0.00 0.00 175.29 174.59 2ker n SER 15 N 4.95 5.27 0.00 12.60 7.64 0.41 -4.91 113.62 139.58 2ker n SER 15 Ca -0.11 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.61 2ker n SER 15 Cb 0.44 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2ker n SER 15 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2ker n TRP 16 N 2.21 0.00 -1.82 1.43 8.01 -1.26 -1.94 117.44 124.07 2ker n TRP 16 Ca 0.24 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.49 2ker n TRP 16 Cb 0.37 0.00 0.12 0.00 -2.01 0.00 0.00 31.31 29.80 2ker n TRP 16 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2ker n ARG 17 N 0.00 0.93 -3.62 -0.99 1.74 -1.26 -3.25 116.66 110.21 2ker n ARG 17 Ca 0.00 -2.60 -0.29 0.00 -0.77 0.00 0.00 57.85 54.18 2ker n ARG 17 Cb 0.00 -1.03 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.94 1.18 -0.79 -1.55 6.14 -0.82 -1.89 117.35 117.67 2ker s TYR 18 Ca 0.32 -1.60 -0.23 0.00 0.64 0.00 0.00 57.07 56.21 2ker s TYR 18 Cb 0.33 -1.36 0.07 0.00 0.42 0.00 0.00 41.96 41.42 2ker s TYR 18 CO -0.08 -0.84 1.14 0.99 0.64 0.00 0.00 175.55 177.40 2ker s THR 19 N 1.43 4.22 -0.49 4.34 2.01 0.14 -0.45 115.64 126.84 2ker s THR 19 Ca 0.13 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.35 2ker s THR 19 Cb -0.19 -4.81 0.03 0.00 0.01 0.00 0.00 72.50 67.53 2ker s THR 19 CO -0.19 -1.63 0.94 1.51 -0.69 0.00 0.00 174.62 174.56 2ker s ASP 20 N 3.89 6.46 -0.43 3.53 -4.77 -0.12 -2.31 116.67 122.93 2ker s ASP 20 Ca 0.31 -0.00 -0.16 0.00 -3.30 0.00 0.00 52.55 49.40 2ker s ASP 20 Cb -0.10 -2.45 0.03 0.00 -1.09 0.00 0.00 42.92 39.31 2ker s ASP 20 CO 0.04 -1.11 0.38 0.54 0.70 0.00 0.00 175.17 175.72 2ker s VAL 21 N 3.85 5.17 -0.36 2.11 0.11 -1.16 -0.89 120.40 129.24 2ker s VAL 21 Ca 0.36 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 2ker s VAL 21 Cb -0.11 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 2ker s VAL 21 CO 0.25 -0.41 0.34 -1.38 -3.33 0.00 0.00 175.10 170.57 2ker s HIS 22 N 1.91 3.21 0.48 1.54 -3.43 0.15 -2.14 115.29 117.01 2ker s HIS 22 Ca 0.08 -0.15 -0.12 0.00 -0.80 0.00 0.00 55.06 54.07 2ker s HIS 22 Cb -0.19 -2.66 -0.06 0.00 -1.43 0.00 0.00 32.58 28.24 2ker s HIS 22 CO 0.11 -0.47 0.89 1.21 -2.00 0.00 0.00 174.74 174.48 2ker s ASN 23 N 1.74 6.49 -0.08 7.38 3.84 -0.64 -0.63 114.94 133.04 2ker s ASN 23 Ca 0.10 1.32 0.17 0.00 0.21 0.00 0.00 52.86 54.66 2ker s ASN 23 Cb -0.17 -2.41 0.32 0.00 -0.55 0.00 0.00 41.25 38.45 2ker s ASN 23 CO 0.12 -0.56 1.15 0.61 -2.79 0.00 0.00 177.10 175.64 2ker n GLY 24 N -1.71 1.11 0.13 1.21 0.00 0.51 -2.55 105.19 103.90 2ker n GLY 24 Ca 0.04 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.93 0.00 -2.50 0.00 0.00 -1.26 -5.00 120.51 109.81 2ker n ALA 26 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 2ker n ALA 26 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.24 2.01 0.03 0.00 -4.77 -1.26 -4.71 116.67 104.73 2ker s ASP 27 Ca 0.00 -0.80 -0.30 0.00 -3.30 0.00 0.00 52.55 48.14 2ker s ASP 27 Cb 0.00 -0.07 -0.07 0.00 -1.09 0.00 0.00 42.92 41.69 2ker s ASP 27 CO 0.00 -0.14 1.48 0.00 0.70 0.00 0.00 175.17 177.22 2ker s ALA 28 N -2.09 3.62 -0.00 2.11 0.00 -1.26 -4.11 121.76 120.03 2ker s ALA 28 Ca 0.09 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.08 2ker s ALA 28 Cb -0.05 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2ker s ALA 28 CO 0.03 -0.95 -0.08 0.14 0.00 0.00 0.00 175.76 174.90 2ker s VAL 29 N 2.37 0.64 -0.23 0.00 -7.23 -1.03 -4.88 120.40 110.03 2ker s VAL 29 Ca 0.67 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.25 2ker s VAL 29 Cb -0.35 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 2ker s VAL 29 CO 0.29 0.16 0.69 -0.44 -0.31 0.00 0.00 175.10 175.49 2ker s SER 30 N -0.24 6.68 0.11 4.85 0.01 -1.26 0.86 113.70 124.72 2ker s SER 30 Ca 0.03 0.84 0.11 0.00 1.31 0.00 0.00 55.95 58.23 2ker s SER 30 Cb -0.03 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2ker s SER 30 CO -0.00 -0.39 -0.27 0.68 0.41 0.00 0.00 173.24 173.68 2ker s VAL 31 N 2.44 2.21 0.20 3.43 -7.23 0.15 0.76 120.40 122.36 2ker s VAL 31 Ca 0.29 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2ker s VAL 31 Cb -0.16 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2ker s VAL 31 CO 0.09 0.13 -0.10 0.28 -0.31 0.00 0.00 175.10 175.18 2ker s THR 32 N -1.02 1.44 -0.03 5.32 -1.32 0.27 0.71 115.64 121.01 2ker s THR 32 Ca 0.13 -2.13 0.02 0.00 -1.21 0.00 0.00 61.69 58.51 2ker s THR 32 Cb -0.10 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 2ker s THR 32 CO 0.05 -0.58 -0.09 0.68 -2.21 0.00 0.00 174.62 172.47 2ker s VAL 33 N -3.15 0.82 -0.34 5.08 -7.23 -1.26 0.38 120.40 114.70 2ker s VAL 33 Ca 0.22 -0.37 -0.14 0.00 -1.81 0.00 0.00 61.98 59.88 2ker s VAL 33 Cb 0.02 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 2ker s VAL 33 CO 0.06 0.26 0.29 -0.70 -0.31 0.00 0.00 175.10 174.70 2ker s GLU 34 N 0.24 3.52 0.48 4.82 2.56 0.18 -4.15 118.70 126.35 2ker s GLU 34 Ca -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 54.97 54.34 2ker s GLU 34 Cb -0.09 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.21 2ker s GLU 34 CO 0.01 -0.48 0.75 0.71 -0.56 0.00 0.00 175.26 175.69 2ker s TYR 35 N 1.85 3.44 0.57 5.30 1.51 -1.26 0.13 117.35 128.90 2ker s TYR 35 Ca 0.08 0.62 0.29 0.00 -1.01 0.00 0.00 57.07 57.06 2ker s TYR 35 Cb -0.17 -2.32 1.47 0.00 -0.11 0.00 0.00 41.96 40.83 2ker s TYR 35 CO 0.11 -0.33 1.91 1.15 -1.11 0.00 0.00 175.55 177.28 2ker h THR 36 N 0.26 0.43 0.00 -0.71 2.02 -0.36 -3.36 112.91 111.19 2ker h THR 36 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2ker h THR 36 Cb 1.22 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 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 -3.87 0.00 0.00 3.16 8.25 -1.26 -4.93 115.22 116.56 2ker n HIS 37 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2ker n HIS 37 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 3.59 -1.28 3.76 -1.41 0.00 -1.26 -5.13 105.19 103.46 2ker n GLY 38 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 3.20 -0.31 1.61 -1.52 -1.26 -4.94 119.66 116.44 2ker s GLN 39 Ca 0.00 1.94 -0.29 0.00 -1.95 0.00 0.00 55.36 55.07 2ker s GLN 39 Cb 0.00 -2.14 -0.01 0.00 -0.22 0.00 0.00 33.01 30.64 2ker s GLN 39 CO 0.00 -1.05 1.58 -0.46 -0.25 0.00 0.00 175.29 175.11 2ker s TRP 40 N -1.49 2.16 0.00 0.91 -0.11 -1.26 -4.31 118.94 114.84 2ker s TRP 40 Ca 0.72 0.64 0.00 0.00 1.22 0.00 0.00 56.10 58.68 2ker s TRP 40 Cb -0.33 -4.11 0.00 0.00 -1.50 0.00 0.00 33.47 27.53 2ker s TRP 40 CO 0.38 -2.55 0.00 0.00 -4.62 0.00 0.00 176.95 170.16 2ker n ALA 41 N 8.99 0.00 -1.02 5.86 0.00 -1.26 -5.08 120.51 128.01 2ker n ALA 41 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 2ker n ALA 41 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.34 0.00 0.00 0.00 -0.04 -1.26 -4.50 135.00 127.87 2ker n PRO 42 Ca 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2ker n PRO 42 Cb 0.00 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.00 0.47 0.16 0.00 3.00 0.22 -4.42 118.95 118.38 2ker s ARG 44 Ca 0.00 0.96 -0.29 0.00 -1.00 0.00 0.00 55.73 55.40 2ker s ARG 44 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 34.95 34.98 2ker s ARG 44 CO 0.00 -0.17 0.92 0.54 0.00 0.00 0.00 175.30 176.59 2ker s VAL 45 N 1.68 4.34 0.07 7.11 0.11 -1.26 0.33 120.40 132.79 2ker s VAL 45 Ca -0.08 2.01 -0.03 0.00 -2.93 0.00 0.00 61.98 60.94 2ker s VAL 45 Cb -0.08 -4.29 -0.05 0.00 -1.53 0.00 0.00 36.38 30.43 2ker s VAL 45 CO -0.15 0.41 0.28 -0.51 -3.33 0.00 0.00 175.10 171.80 2ker s ILE 46 N -0.57 5.29 0.21 7.04 1.10 0.25 -4.91 121.20 129.63 2ker s ILE 46 Ca 0.43 -0.09 -0.17 0.00 -0.51 0.00 0.00 60.65 60.30 2ker s ILE 46 Cb -0.24 -3.61 -0.08 0.00 0.15 0.00 0.00 42.46 38.68 2ker s ILE 46 CO 0.30 0.17 0.67 -1.61 -2.11 0.00 0.00 174.94 172.36 2ker s GLU 47 N -2.34 4.14 -0.93 3.50 2.02 -1.26 -2.48 118.70 121.34 2ker s GLU 47 Ca 0.35 0.73 -0.21 0.00 0.02 0.00 0.00 54.97 55.85 2ker s GLU 47 Cb -0.13 -2.83 -0.25 0.00 0.10 0.00 0.00 34.13 31.02 2ker s GLU 47 CO 0.23 0.39 2.43 -2.30 0.02 0.00 0.00 175.26 176.03 2ker n PRO 48 N 0.59 0.15 -0.37 0.39 -0.02 -1.26 0.78 135.00 135.25 2ker n PRO 48 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2ker n PRO 48 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 6.08 0.79 2.81 -1.23 0.00 -1.06 -4.86 105.19 107.73 2ker n GLY 49 Ca 0.62 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.37 1.39 3.61 -0.02 0.00 0.23 -4.64 105.19 103.40 2ker n GLY 50 Ca 0.00 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.85 2.51 -0.13 1.61 0.52 -1.24 -1.62 118.94 118.73 2ker s TRP 51 Ca 0.46 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 2ker s TRP 51 Cb -0.03 -1.49 0.06 0.00 -1.15 0.00 0.00 33.47 30.86 2ker s TRP 51 CO 0.30 0.50 0.13 0.00 0.02 0.00 0.00 176.95 177.89 2ker s ALA 52 N -2.56 0.10 -0.05 0.98 0.00 -0.91 -4.79 121.76 114.53 2ker s ALA 52 Ca 0.34 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 2ker s ALA 52 Cb 0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2ker s ALA 52 CO 0.19 -0.91 0.93 0.99 0.00 0.00 0.00 175.76 176.96 2ker s THR 53 N 2.22 4.88 0.01 0.00 2.01 -1.26 -2.97 115.64 120.54 2ker s THR 53 Ca 0.04 1.92 0.01 0.00 0.31 0.00 0.00 61.69 63.96 2ker s THR 53 Cb -0.14 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 2ker s THR 53 CO -0.08 0.13 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.58 2ker s PHE 54 N 1.29 0.35 -0.37 4.92 0.08 -0.98 -4.95 117.98 118.32 2ker s PHE 54 Ca 0.48 -0.27 -0.27 0.00 0.12 0.00 0.00 56.93 56.99 2ker s PHE 54 Cb -0.19 -0.22 -0.06 0.00 -0.57 0.00 0.00 43.02 41.98 2ker s PHE 54 CO 0.23 -0.07 2.29 0.00 -0.10 0.00 0.00 175.22 177.57 2ker s ALA 55 N -0.71 2.16 1.29 5.36 0.00 -1.26 0.24 121.76 128.84 2ker s ALA 55 Ca -0.06 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 2ker s ALA 55 Cb -0.05 -4.22 0.32 0.00 0.00 0.00 0.00 23.12 19.17 2ker s ALA 55 CO -0.00 -3.67 1.02 0.20 0.00 0.00 0.00 175.76 173.31 2ker s GLY 56 N 10.17 1.50 -0.40 0.00 0.00 -0.79 -4.25 107.32 113.55 2ker s GLY 56 Ca 0.97 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 44.60 2ker s GLY 56 CO 0.30 0.12 1.18 -2.52 0.00 0.00 0.00 173.10 172.18 2ker s TYR 57 N -2.64 2.83 0.66 1.90 1.13 -1.20 -4.68 117.35 115.36 2ker s TYR 57 Ca 0.69 0.87 -0.03 0.00 -1.41 0.00 0.00 57.07 57.19 2ker s TYR 57 Cb -0.13 -4.13 0.14 0.00 -1.10 0.00 0.00 41.96 36.74 2ker s TYR 57 CO 0.58 -1.30 0.90 0.41 -2.51 0.00 0.00 175.55 173.63 2ker n GLY 58 N 4.52 0.22 0.28 5.49 0.00 -1.07 -4.66 105.19 109.97 2ker n GLY 58 Ca 0.13 -1.95 0.17 0.00 0.00 0.00 0.00 46.02 44.37 2ker n GLY 58 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ker h THR 59 N -0.80 0.04 0.01 2.61 2.02 -1.97 -2.57 112.91 112.25 2ker h THR 59 Ca -0.30 -0.54 -0.27 0.00 0.77 0.00 0.00 66.41 66.08 2ker h THR 59 Cb 1.03 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 2ker h THR 59 CO 0.29 0.01 -1.46 -2.24 0.37 0.00 0.00 175.52 172.49 2ker h ASP 60 N 0.00 0.03 0.00 4.18 2.03 -1.99 -3.50 116.42 117.16 2ker h ASP 60 Ca -0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2ker h ASP 60 Cb 0.52 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2ker h ASP 60 CO 0.00 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.86 2ker n GLY 61 N 1.50 0.58 2.83 7.15 0.00 -0.97 -5.11 105.19 111.18 2ker n GLY 61 Ca -0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 2ker n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ker n ASN 62 N 0.00 -4.46 -4.25 1.61 3.02 -1.26 -2.59 115.26 107.34 2ker n ASN 62 Ca 0.00 1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 55.35 2ker n ASN 62 Cb 0.00 -3.73 -0.15 0.00 -0.61 0.00 0.00 39.78 35.29 2ker n ASN 62 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ker s TYR 63 N -0.65 2.83 0.19 3.10 5.04 -1.26 -3.71 117.35 122.88 2ker s TYR 63 Ca -0.13 -1.12 -0.32 0.00 -2.44 0.00 0.00 57.07 53.07 2ker s TYR 63 Cb 0.01 -1.95 -0.11 0.00 0.35 0.00 0.00 41.96 40.26 2ker s TYR 63 CO 0.46 -0.55 1.71 0.14 -1.34 0.00 0.00 175.55 175.97 2ker s VAL 64 N 1.05 2.22 0.00 3.14 -7.23 -1.26 0.41 120.40 118.73 2ker s VAL 64 Ca -0.01 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2ker s VAL 64 Cb -0.15 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2ker s VAL 64 CO -0.03 0.01 0.00 0.35 -0.31 0.00 0.00 175.10 175.11 2ker n THR 65 N 4.09 0.00 -3.69 5.32 -2.24 0.12 -4.89 114.28 113.00 2ker n THR 65 Ca 0.16 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 2ker n THR 65 Cb 0.36 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.18 -0.04 -0.03 3.38 0.00 -1.08 -4.98 107.32 103.39 2ker s GLY 66 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 44.72 45.25 2ker s GLY 66 CO 0.00 1.62 0.69 1.08 0.00 0.00 0.00 173.10 176.49 2ker s LEU 67 N 2.04 4.36 0.08 0.66 1.43 -1.26 0.47 118.68 126.45 2ker s LEU 67 Ca -0.01 1.23 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2ker s LEU 67 Cb -0.12 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2ker s LEU 67 CO -0.07 -0.05 -0.22 -1.00 0.23 0.00 0.00 176.35 175.24 2ker s HIS 68 N 0.44 1.93 -0.04 0.29 3.76 0.16 -3.25 115.29 118.58 2ker s HIS 68 Ca 0.36 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 2ker s HIS 68 Cb -0.18 -1.10 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 2ker s HIS 68 CO 0.19 0.17 0.96 0.99 -0.85 0.00 0.00 174.74 176.21 2ker s THR 69 N -0.97 4.86 0.28 1.30 2.01 -1.26 0.94 115.64 122.80 2ker s THR 69 Ca 0.09 2.00 -0.00 0.00 0.31 0.00 0.00 61.69 64.08 2ker s THR 69 Cb -0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2ker s THR 69 CO 0.03 0.12 0.48 0.00 -0.69 0.00 0.00 174.62 174.56 2ker s ASP 71 N -3.66 5.81 -0.17 0.00 -4.77 -1.26 -4.34 116.67 108.28 2ker s ASP 71 Ca 0.39 0.12 -0.02 0.00 -3.30 0.00 0.00 52.55 49.75 2ker s ASP 71 Cb -0.10 -1.67 -0.06 0.00 -1.09 0.00 0.00 42.92 40.01 2ker s ASP 71 CO 0.32 0.20 0.52 -2.65 0.70 0.00 0.00 175.17 174.27 2ker n PRO 72 N 0.65 0.00 -3.15 2.11 -0.01 -1.26 -4.77 135.00 128.57 2ker n PRO 72 Ca -0.09 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.45 2ker n PRO 72 Cb 0.52 -0.33 -0.01 0.00 -0.01 0.00 0.00 33.50 33.67 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 -3.16 -0.30 3.55 0.00 -1.26 -5.13 121.76 115.45 2ker s ALA 73 Ca 0.22 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 2ker s ALA 73 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2ker s ALA 73 CO 0.10 -1.76 0.86 0.99 0.00 0.00 0.00 175.76 175.95 2ker s THR 74 N 2.90 4.73 -0.25 0.00 2.01 -1.26 -4.72 115.64 119.05 2ker s THR 74 Ca 0.15 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.19 2ker s THR 74 Cb -0.08 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 2ker s THR 74 CO -0.21 -0.29 2.18 -0.81 -0.69 0.00 0.00 174.62 174.79 2ker n PRO 75 N 6.35 1.67 0.00 4.92 -0.04 -1.26 -4.66 135.00 141.98 2ker n PRO 75 Ca 0.06 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2ker n PRO 75 Cb 0.48 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 2ker n PRO 75 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ker n SER 76 N 10.48 0.00 -4.64 3.54 3.41 -1.26 -5.08 113.62 120.07 2ker n SER 76 Ca 0.33 -0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 57.93 2ker n SER 76 Cb 0.35 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2ker n SER 76 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ker s GLY 77 N 0.00 1.54 0.00 5.00 0.00 -1.26 -5.34 107.32 107.26 2ker s GLY 77 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2ker s GLY 77 CO 0.00 2.37 0.00 -0.62 0.00 0.00 0.00 173.10 174.85