#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 0.00 0.00 -1.04 -1.26 -5.12 114.28 106.86 2ker n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ker n THR 2 Cb 0.00 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.27 0.72 3.40 3.41 0.00 -1.26 -5.10 105.19 106.09 2ker n GLY 3 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2ker n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ker s SER 4 N -4.00 3.42 0.61 1.61 0.15 -1.26 -5.12 113.70 109.10 2ker s SER 4 Ca 0.00 -0.67 -0.19 0.00 0.70 0.00 0.00 55.95 55.78 2ker s SER 4 Cb 0.00 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.98 2ker s SER 4 CO 0.00 0.20 1.29 -2.16 1.20 0.00 0.00 173.24 173.77 2ker s PRO 5 N -1.90 2.81 2.91 5.44 0.04 -1.26 -4.34 135.00 138.70 2ker s PRO 5 Ca 0.14 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2ker s PRO 5 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2ker s PRO 5 CO 0.06 -1.40 0.00 1.33 0.04 0.00 0.00 177.00 177.03 2ker n VAL 6 N -1.59 0.00 0.00 -0.36 0.24 -1.21 -0.97 118.33 114.44 2ker n VAL 6 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2ker n VAL 6 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 6.30 0.96 0.00 2.33 0.00 -1.26 -4.74 120.51 124.10 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 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.17 0.00 -0.39 0.00 1.02 -0.15 -4.68 120.64 115.28 2ker n GLU 8 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 2ker n GLU 8 Cb 0.06 -0.88 0.23 0.00 -0.02 0.00 0.00 31.44 30.82 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 -1.72 2.65 -0.09 0.00 -7.23 -1.26 0.92 120.40 113.67 2ker s VAL 10 Ca 0.32 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 2ker s VAL 10 Cb 0.21 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2ker s VAL 10 CO 0.16 0.49 0.01 -0.70 -0.31 0.00 0.00 175.10 174.74 2ker s GLU 11 N -0.98 0.59 0.44 4.82 2.12 0.35 -4.82 118.70 121.21 2ker s GLU 11 Ca 0.12 0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.45 2ker s GLU 11 Cb -0.10 -1.19 -0.02 0.00 0.26 0.00 0.00 34.13 33.08 2ker s GLU 11 CO 0.02 -0.37 0.68 1.52 -0.54 0.00 0.00 175.26 176.57 2ker s TYR 12 N 1.96 3.41 0.20 5.30 -0.85 -1.24 0.13 117.35 126.26 2ker s TYR 12 Ca 0.04 0.47 -0.07 0.00 -0.52 0.00 0.00 57.07 56.98 2ker s TYR 12 Cb -0.13 -2.21 -0.02 0.00 0.38 0.00 0.00 41.96 39.98 2ker s TYR 12 CO -0.06 -0.22 0.29 0.12 -1.52 0.00 0.00 175.55 174.16 2ker s PHE 13 N -2.57 0.63 -0.32 -3.49 5.36 -0.13 -4.93 117.98 112.53 2ker s PHE 13 Ca 0.46 -0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 55.46 2ker s PHE 13 Cb -0.10 -0.15 0.06 0.00 -0.34 0.00 0.00 43.02 42.50 2ker s PHE 13 CO 0.40 -0.77 0.04 1.14 -1.46 0.00 0.00 175.22 174.57 2ker s GLN 14 N -4.04 2.31 -0.84 10.12 1.03 -1.26 -1.66 119.66 125.32 2ker s GLN 14 Ca 0.25 -1.40 -0.02 0.00 0.04 0.00 0.00 55.36 54.23 2ker s GLN 14 Cb 0.03 -3.26 0.33 0.00 0.03 0.00 0.00 33.01 30.14 2ker s GLN 14 CO 0.06 -0.72 2.07 -1.13 -2.54 0.00 0.00 175.29 173.03 2ker n SER 15 N 4.60 7.45 0.00 12.60 3.41 0.15 -4.96 113.62 136.88 2ker n SER 15 Ca -0.10 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 2ker n SER 15 Cb 0.43 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2ker n SER 15 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 2ker n TRP 16 N -0.38 0.00 -1.24 7.33 -0.00 -1.26 -3.64 117.44 118.25 2ker n TRP 16 Ca 0.53 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.78 2ker n TRP 16 Cb 0.26 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.74 2ker n TRP 16 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 2ker n ARG 17 N 0.00 2.29 -3.27 5.87 1.85 -1.26 -1.88 116.66 120.26 2ker n ARG 17 Ca 0.00 -3.04 -0.05 0.00 -1.00 0.00 0.00 57.85 53.77 2ker n ARG 17 Cb 0.00 -2.19 -0.05 0.00 -1.05 0.00 0.00 32.46 29.17 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2ker s TYR 18 N -3.35 -1.15 -0.69 2.89 6.14 -1.24 -4.14 117.35 115.82 2ker s TYR 18 Ca 0.58 0.99 -0.20 0.00 0.64 0.00 0.00 57.07 59.08 2ker s TYR 18 Cb 0.48 0.15 0.10 0.00 0.42 0.00 0.00 41.96 43.12 2ker s TYR 18 CO 0.10 -0.84 0.87 0.99 0.64 0.00 0.00 175.55 177.31 2ker s THR 19 N 2.65 4.68 -0.51 4.34 2.01 0.40 -0.67 115.64 128.53 2ker s THR 19 Ca 0.14 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 2ker s THR 19 Cb -0.14 -4.61 0.03 0.00 0.01 0.00 0.00 72.50 67.79 2ker s THR 19 CO -0.21 -1.30 1.02 1.51 -0.69 0.00 0.00 174.62 174.95 2ker s ASP 20 N 3.58 6.47 -0.45 3.53 -4.77 -0.66 -2.52 116.67 121.85 2ker s ASP 20 Ca 0.19 0.06 -0.15 0.00 -3.30 0.00 0.00 52.55 49.35 2ker s ASP 20 Cb -0.18 -2.49 0.05 0.00 -1.09 0.00 0.00 42.92 39.22 2ker s ASP 20 CO 0.04 -1.22 0.36 0.54 0.70 0.00 0.00 175.17 175.58 2ker s VAL 21 N 4.18 5.21 -0.40 2.11 0.11 -1.17 -0.96 120.40 129.48 2ker s VAL 21 Ca 0.39 -0.93 -0.17 0.00 -2.93 0.00 0.00 61.98 58.35 2ker s VAL 21 Cb -0.10 -4.04 0.01 0.00 -1.53 0.00 0.00 36.38 30.73 2ker s VAL 21 CO 0.25 -0.48 0.40 -1.38 -3.33 0.00 0.00 175.10 170.57 2ker s HIS 22 N 1.65 3.19 0.51 1.54 -3.43 0.12 -2.24 115.29 116.63 2ker s HIS 22 Ca 0.04 -0.34 -0.17 0.00 -0.80 0.00 0.00 55.06 53.79 2ker s HIS 22 Cb -0.22 -2.80 -0.08 0.00 -1.43 0.00 0.00 32.58 28.04 2ker s HIS 22 CO 0.08 -0.63 0.98 1.21 -2.00 0.00 0.00 174.74 174.38 2ker s ASN 23 N 1.78 6.64 -0.02 7.38 3.84 -0.06 -0.50 114.94 134.01 2ker s ASN 23 Ca 0.11 1.57 0.05 0.00 0.21 0.00 0.00 52.86 54.80 2ker s ASN 23 Cb -0.17 -2.51 0.08 0.00 -0.55 0.00 0.00 41.25 38.10 2ker s ASN 23 CO 0.13 -0.57 1.04 0.61 -2.79 0.00 0.00 177.10 175.51 2ker n GLY 24 N -1.52 1.11 3.89 1.21 0.00 0.26 -2.72 105.19 107.42 2ker n GLY 24 Ca 0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.55 2.33 -2.33 0.00 0.00 -1.26 -3.79 120.51 112.92 2ker n ALA 26 Ca 0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2ker n ALA 26 Cb 0.54 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.23 2.21 -0.00 0.00 -4.77 -1.26 -4.76 116.67 104.86 2ker s ASP 27 Ca 0.13 -0.99 -0.30 0.00 -3.30 0.00 0.00 52.55 48.09 2ker s ASP 27 Cb 0.18 -0.08 -0.05 0.00 -1.09 0.00 0.00 42.92 41.88 2ker s ASP 27 CO 0.54 -0.23 1.35 0.00 0.70 0.00 0.00 175.17 177.54 2ker s ALA 28 N -3.00 3.56 0.03 2.11 0.00 -1.26 -4.10 121.76 119.10 2ker s ALA 28 Ca 0.19 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.05 2ker s ALA 28 Cb -0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2ker s ALA 28 CO 0.04 -0.85 -0.20 0.14 0.00 0.00 0.00 175.76 174.90 2ker s VAL 29 N 2.23 1.56 -0.24 0.00 -7.23 -1.01 -4.88 120.40 110.83 2ker s VAL 29 Ca 0.62 -1.07 -0.19 0.00 -1.81 0.00 0.00 61.98 59.52 2ker s VAL 29 Cb -0.30 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2ker s VAL 29 CO 0.26 0.24 0.58 -0.44 -0.31 0.00 0.00 175.10 175.43 2ker s SER 30 N -0.98 6.55 0.03 4.85 0.01 -1.26 0.74 113.70 123.64 2ker s SER 30 Ca 0.07 0.67 0.08 0.00 1.31 0.00 0.00 55.95 58.08 2ker s SER 30 Cb -0.08 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2ker s SER 30 CO 0.01 -0.30 -0.24 0.68 0.41 0.00 0.00 173.24 173.80 2ker s VAL 31 N 2.19 1.96 0.26 3.43 -7.23 0.13 0.85 120.40 121.99 2ker s VAL 31 Ca 0.25 -1.26 0.10 0.00 -1.81 0.00 0.00 61.98 59.26 2ker s VAL 31 Cb -0.16 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 2ker s VAL 31 CO 0.09 0.36 -0.17 0.28 -0.31 0.00 0.00 175.10 175.35 2ker s THR 32 N -0.75 2.20 -0.00 5.32 -1.32 0.26 0.47 115.64 121.83 2ker s THR 32 Ca 0.10 -2.32 0.03 0.00 -1.21 0.00 0.00 61.69 58.29 2ker s THR 32 Cb -0.10 -2.26 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 2ker s THR 32 CO 0.01 -0.44 -0.09 0.68 -2.21 0.00 0.00 174.62 172.58 2ker s VAL 33 N -2.68 0.71 -0.30 5.08 -7.23 -1.26 0.38 120.40 115.10 2ker s VAL 33 Ca 0.28 -0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2ker s VAL 33 Cb -0.03 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.31 2ker s VAL 33 CO 0.13 0.15 0.08 -0.70 -0.31 0.00 0.00 175.10 174.44 2ker s GLU 34 N -0.36 3.06 0.36 4.82 2.12 0.92 -4.07 118.70 125.56 2ker s GLU 34 Ca 0.02 -0.88 -0.05 0.00 0.36 0.00 0.00 54.97 54.43 2ker s GLU 34 Cb -0.04 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 2ker s GLU 34 CO -0.00 -0.46 0.64 0.71 -0.54 0.00 0.00 175.26 175.61 2ker s TYR 35 N 1.49 3.50 0.29 5.30 2.02 -1.26 -0.09 117.35 128.60 2ker s TYR 35 Ca 0.02 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 2ker s TYR 35 Cb -0.17 -2.18 0.68 0.00 -0.40 0.00 0.00 41.96 39.89 2ker s TYR 35 CO 0.03 0.02 1.61 1.15 -1.57 0.00 0.00 175.55 176.78 2ker h THR 36 N 0.98 0.18 0.00 -0.71 2.02 0.15 -3.37 112.91 112.15 2ker h THR 36 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2ker h THR 36 Cb 1.20 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2ker h THR 36 CO 0.64 0.02 0.00 1.41 0.37 0.00 0.00 175.52 177.96 2ker n HIS 37 N -5.38 0.00 0.00 3.16 8.25 -1.26 -4.97 115.22 115.02 2ker n HIS 37 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2ker n HIS 37 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 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 2.79 2.92 3.52 -1.41 0.00 -1.26 -5.13 105.19 106.63 2ker n GLY 38 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.13 0.92 0.39 1.61 -1.52 -1.26 -5.08 119.66 114.60 2ker s GLN 39 Ca 0.00 0.10 -0.24 0.00 -1.95 0.00 0.00 55.36 53.27 2ker s GLN 39 Cb 0.00 0.43 -0.09 0.00 -0.22 0.00 0.00 33.01 33.13 2ker s GLN 39 CO 0.00 -0.31 1.04 1.67 -0.25 0.00 0.00 175.29 177.43 2ker s TRP 40 N -1.61 3.30 0.00 0.91 -2.14 -1.26 -4.52 118.94 113.62 2ker s TRP 40 Ca -0.06 1.65 0.00 0.00 2.66 0.00 0.00 56.10 60.36 2ker s TRP 40 Cb -0.00 -3.10 0.00 0.00 -3.10 0.00 0.00 33.47 27.27 2ker s TRP 40 CO 0.03 -0.53 0.00 0.00 -2.66 0.00 0.00 176.95 173.79 2ker n ALA 41 N -0.05 0.00 -0.63 2.67 0.00 -1.26 -5.06 120.51 116.18 2ker n ALA 41 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 2ker n ALA 41 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 0.00 0.00 -0.04 -1.26 -4.32 135.00 129.38 2ker n PRO 42 Ca 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2ker n PRO 42 Cb 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.29 0.13 0.00 3.00 0.18 -4.41 118.95 118.13 2ker s ARG 44 Ca 0.00 0.62 -0.28 0.00 -1.00 0.00 0.00 55.73 55.07 2ker s ARG 44 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 34.95 34.82 2ker s ARG 44 CO 0.00 -0.15 0.86 0.54 0.00 0.00 0.00 175.30 176.55 2ker s VAL 45 N 1.24 4.46 0.04 7.11 0.11 -1.26 0.18 120.40 132.28 2ker s VAL 45 Ca -0.09 1.87 -0.06 0.00 -2.93 0.00 0.00 61.98 60.77 2ker s VAL 45 Cb -0.09 -4.23 -0.05 0.00 -1.53 0.00 0.00 36.38 30.48 2ker s VAL 45 CO -0.09 0.41 0.30 -0.51 -3.33 0.00 0.00 175.10 171.88 2ker s ILE 46 N -0.49 5.25 0.13 7.04 1.10 0.23 -4.92 121.20 129.55 2ker s ILE 46 Ca 0.41 0.15 -0.24 0.00 -0.51 0.00 0.00 60.65 60.46 2ker s ILE 46 Cb -0.23 -3.59 -0.07 0.00 0.15 0.00 0.00 42.46 38.71 2ker s ILE 46 CO 0.28 0.29 0.73 -1.61 -2.11 0.00 0.00 174.94 172.51 2ker s GLU 47 N -1.97 4.49 -0.91 3.50 2.02 -1.26 -2.42 118.70 122.14 2ker s GLU 47 Ca 0.31 1.06 -0.28 0.00 0.02 0.00 0.00 54.97 56.08 2ker s GLU 47 Cb -0.13 -3.27 -0.21 0.00 0.10 0.00 0.00 34.13 30.63 2ker s GLU 47 CO 0.19 0.56 2.60 -2.30 0.02 0.00 0.00 175.26 176.32 2ker n PRO 48 N 1.74 0.18 -0.06 0.39 -0.02 -1.26 0.10 135.00 136.07 2ker n PRO 48 Ca -0.06 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2ker n PRO 48 Cb 0.49 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 6.33 0.64 0.34 -1.23 0.00 -1.10 -4.91 105.19 105.26 2ker n GLY 49 Ca 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.01 1.09 3.56 -0.02 0.00 0.28 -4.56 105.19 103.52 2ker n GLY 50 Ca 0.00 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 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 0.15 2.42 -0.12 1.61 0.52 -1.25 -0.88 118.94 121.39 2ker s TRP 51 Ca 0.06 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.58 2ker s TRP 51 Cb -0.00 -1.48 0.06 0.00 -1.15 0.00 0.00 33.47 30.89 2ker s TRP 51 CO 0.04 0.53 0.14 0.00 0.02 0.00 0.00 176.95 177.68 2ker s ALA 52 N -2.66 -0.00 -0.05 0.98 0.00 -0.95 -4.77 121.76 114.31 2ker s ALA 52 Ca 0.33 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 52.28 2ker s ALA 52 Cb 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2ker s ALA 52 CO 0.17 -0.82 0.88 0.99 0.00 0.00 0.00 175.76 176.98 2ker s THR 53 N 2.25 4.92 0.02 0.00 2.01 -1.26 -3.05 115.64 120.52 2ker s THR 53 Ca 0.04 1.82 0.02 0.00 0.31 0.00 0.00 61.69 63.88 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 -0.07 0.16 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.59 2ker s PHE 54 N 1.15 0.57 -0.51 4.92 0.08 -1.05 -4.95 117.98 118.20 2ker s PHE 54 Ca 0.46 -0.27 -0.27 0.00 0.12 0.00 0.00 56.93 56.96 2ker s PHE 54 Cb -0.19 -0.35 -0.09 0.00 -0.57 0.00 0.00 43.02 41.82 2ker s PHE 54 CO 0.22 -0.04 2.41 0.00 -0.10 0.00 0.00 175.22 177.72 2ker n ALA 55 N 2.29 0.88 -1.00 5.36 0.00 -1.26 -0.45 120.51 126.32 2ker n ALA 55 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2ker n ALA 55 Cb 0.57 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2ker n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ker n GLY 56 N 6.07 -2.46 3.19 0.00 0.00 -1.26 -4.19 105.19 106.54 2ker n GLY 56 Ca 0.40 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2ker n GLY 56 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ker n TYR 57 N -1.95 4.07 -2.26 1.61 4.11 -0.79 -4.35 117.16 117.60 2ker n TYR 57 Ca 0.00 -3.04 -0.27 0.00 -0.00 0.00 0.00 57.90 54.59 2ker n TYR 57 Cb 0.00 -2.23 0.17 0.00 -0.00 0.00 0.00 39.34 37.28 2ker n TYR 57 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2ker s GLY 58 N 2.45 1.79 0.14 -7.48 0.00 -1.25 -4.77 107.32 98.20 2ker s GLY 58 Ca 0.44 -1.59 -0.31 0.00 0.00 0.00 0.00 44.72 43.26 2ker s GLY 58 CO 0.00 -0.85 1.40 -1.08 0.00 0.00 0.00 173.10 172.57 2ker s THR 59 N -3.60 3.18 -1.61 0.90 -1.32 -1.26 -2.66 115.64 109.27 2ker s THR 59 Ca 0.73 0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 62.06 2ker s THR 59 Cb -0.03 -3.56 0.01 0.00 -1.51 0.00 0.00 72.50 67.41 2ker s THR 59 CO 0.50 0.08 0.21 0.47 -2.21 0.00 0.00 174.62 173.67 2ker n ASP 60 N 3.60 -5.66 0.00 8.08 8.00 -1.26 -4.93 116.55 124.39 2ker n ASP 60 Ca 0.10 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2ker n ASP 60 Cb 0.42 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.85 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 -1.16 4.97 0.00 0.44 0.00 -1.09 -5.17 105.19 103.19 2ker n GLY 61 Ca -0.18 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 1.03 -3.40 1.61 5.03 -1.26 -4.84 115.26 113.43 2ker n ASN 62 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 2ker n ASN 62 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2ker n ASN 62 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2ker s TYR 63 N 1.44 -0.77 0.19 3.10 5.04 -1.26 -3.69 117.35 121.39 2ker s TYR 63 Ca 0.00 1.28 -0.31 0.00 -2.44 0.00 0.00 57.07 55.60 2ker s TYR 63 Cb 0.00 0.44 -0.10 0.00 0.35 0.00 0.00 41.96 42.65 2ker s TYR 63 CO 0.00 -0.39 1.55 0.14 -1.34 0.00 0.00 175.55 175.51 2ker s VAL 64 N 2.55 2.57 0.00 3.14 -7.23 -1.26 0.87 120.40 121.04 2ker s VAL 64 Ca -0.02 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 2ker s VAL 64 Cb -0.07 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2ker s VAL 64 CO -0.17 0.04 0.00 0.35 -0.31 0.00 0.00 175.10 175.01 2ker n THR 65 N 3.58 0.00 -3.71 5.32 -2.24 0.87 -4.89 114.28 113.21 2ker n THR 65 Ca 0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 2ker n THR 65 Cb 0.39 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.11 -0.01 0.09 3.38 0.00 -1.16 -4.99 107.32 102.51 2ker s GLY 66 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 44.72 45.16 2ker s GLY 66 CO 0.00 1.36 0.69 1.08 0.00 0.00 0.00 173.10 176.23 2ker s LEU 67 N 1.72 4.51 0.05 0.66 1.43 -1.26 -0.06 118.68 125.73 2ker s LEU 67 Ca -0.04 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 2ker s LEU 67 Cb -0.12 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2ker s LEU 67 CO -0.06 0.16 -0.17 -1.00 0.23 0.00 0.00 176.35 175.51 2ker s HIS 68 N -0.71 1.49 -0.05 0.29 3.76 0.16 -3.30 115.29 116.93 2ker s HIS 68 Ca 0.34 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2ker s HIS 68 Cb -0.21 -0.88 -0.02 0.00 1.11 0.00 0.00 32.58 32.58 2ker s HIS 68 CO 0.22 0.07 1.02 0.99 -0.85 0.00 0.00 174.74 176.20 2ker s THR 69 N -0.87 4.73 0.28 1.30 2.01 -1.26 0.90 115.64 122.72 2ker s THR 69 Ca 0.04 1.98 -0.03 0.00 0.31 0.00 0.00 61.69 63.99 2ker s THR 69 Cb -0.08 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 2ker s THR 69 CO 0.02 0.07 0.51 0.00 -0.69 0.00 0.00 174.62 174.53 2ker s ASP 71 N -3.34 4.86 -0.11 0.00 -4.77 -1.26 -4.33 116.67 107.72 2ker s ASP 71 Ca 0.42 -0.14 -0.01 0.00 -3.30 0.00 0.00 52.55 49.51 2ker s ASP 71 Cb -0.11 -1.16 -0.04 0.00 -1.09 0.00 0.00 42.92 40.53 2ker s ASP 71 CO 0.31 0.24 0.37 -2.65 0.70 0.00 0.00 175.17 174.14 2ker n PRO 72 N 1.13 0.00 -3.15 2.11 -0.01 -1.26 -4.75 135.00 129.08 2ker n PRO 72 Ca -0.14 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.41 2ker n PRO 72 Cb 0.52 -0.24 -0.00 0.00 -0.01 0.00 0.00 33.50 33.77 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 -3.63 -0.03 3.55 0.00 -1.26 -5.15 121.76 115.24 2ker s ALA 73 Ca 0.15 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.16 2ker s ALA 73 Cb -0.09 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2ker s ALA 73 CO 0.06 -1.93 0.90 0.99 0.00 0.00 0.00 175.76 175.78 2ker s THR 74 N 2.93 4.92 -0.09 0.00 2.01 -1.26 -4.87 115.64 119.28 2ker s THR 74 Ca 0.20 1.87 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 2ker s THR 74 Cb -0.05 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 2ker s THR 74 CO -0.22 0.17 1.71 -2.16 -0.69 0.00 0.00 174.62 173.43 2ker s PRO 75 N 1.03 4.04 0.00 4.92 0.04 -1.26 -4.76 135.00 139.01 2ker s PRO 75 Ca 0.47 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2ker s PRO 75 Cb -0.20 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2ker s PRO 75 CO 0.24 -1.01 0.15 0.45 0.04 0.00 0.00 177.00 176.87 2ker n SER 76 N 7.67 0.00 0.00 6.66 2.88 -1.26 -4.87 113.62 124.70 2ker n SER 76 Ca 0.18 -1.00 0.13 0.00 -1.33 0.00 0.00 58.87 56.86 2ker n SER 76 Cb 0.43 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.51 2ker n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ker n GLY 77 N 0.00 -1.40 0.00 0.46 0.00 -1.26 -5.31 105.19 97.69 2ker n GLY 77 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2ker n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65