#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 0.00 -2.73 0.00 1.35 -2.08 -3.41 112.91 106.05 2ker h THR 2 Ca 0.00 -0.20 -0.54 0.00 -0.55 0.00 0.00 66.41 65.12 2ker h THR 2 Cb 0.00 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.34 2ker h THR 2 CO 0.00 0.00 1.04 -0.83 -0.25 0.00 0.00 175.52 175.48 2ker s GLY 3 N -2.02 0.97 -0.57 5.82 0.00 -1.26 -4.93 107.32 105.33 2ker s GLY 3 Ca -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.65 2ker s GLY 3 CO 0.09 2.62 0.40 -0.56 0.00 0.00 0.00 173.10 175.65 2ker s SER 4 N 3.55 3.58 -0.12 1.64 0.01 -1.26 -4.92 113.70 116.18 2ker s SER 4 Ca 0.40 -3.40 0.09 0.00 1.31 0.00 0.00 55.95 54.35 2ker s SER 4 Cb -0.08 -1.18 -0.24 0.00 0.21 0.00 0.00 66.02 64.74 2ker s SER 4 CO 0.20 -0.14 0.37 -0.81 0.41 0.00 0.00 173.24 173.27 2ker n PRO 5 N 2.51 0.67 0.00 12.44 -0.04 -1.26 -5.01 135.00 144.31 2ker n PRO 5 Ca 0.21 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2ker n PRO 5 Cb 0.39 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2ker n PRO 5 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2ker n VAL 6 N -3.08 0.00 0.00 0.52 0.24 -1.26 -3.45 118.33 111.29 2ker n VAL 6 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2ker n VAL 6 Cb 1.07 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 -3.00 1.40 0.00 2.33 0.00 -1.26 -4.82 120.51 115.15 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 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.46 0.00 0.00 0.00 1.02 -1.26 -4.47 120.64 115.46 2ker n GLU 8 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2ker n GLU 8 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.85 5.28 -0.15 0.00 -7.23 -1.26 -0.97 120.40 113.22 2ker s VAL 10 Ca 0.14 0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 60.87 2ker s VAL 10 Cb 0.14 -3.63 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2ker s VAL 10 CO 0.37 0.43 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.89 2ker s GLU 11 N 0.19 0.91 0.35 4.82 2.12 0.32 -4.89 118.70 122.52 2ker s GLU 11 Ca 0.18 -0.31 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 2ker s GLU 11 Cb -0.13 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.43 2ker s GLU 11 CO 0.05 -0.48 0.64 1.52 -0.54 0.00 0.00 175.26 176.45 2ker s TYR 12 N 1.81 3.49 0.06 5.30 -0.85 -1.24 0.15 117.35 126.08 2ker s TYR 12 Ca 0.01 0.76 0.03 0.00 -0.52 0.00 0.00 57.07 57.35 2ker s TYR 12 Cb -0.15 -2.21 -0.03 0.00 0.38 0.00 0.00 41.96 39.95 2ker s TYR 12 CO -0.07 0.04 -0.08 0.12 -1.52 0.00 0.00 175.55 174.03 2ker s PHE 13 N -2.26 0.82 -0.39 -3.49 5.36 0.04 -4.92 117.98 113.15 2ker s PHE 13 Ca 0.46 -0.60 -0.07 0.00 -0.96 0.00 0.00 56.93 55.76 2ker s PHE 13 Cb -0.10 -0.48 0.07 0.00 -0.34 0.00 0.00 43.02 42.17 2ker s PHE 13 CO 0.32 -0.07 0.20 1.14 -1.46 0.00 0.00 175.22 175.35 2ker s GLN 14 N -2.21 2.52 -0.93 10.12 0.00 -1.26 -1.12 119.66 126.79 2ker s GLN 14 Ca -0.03 -1.42 -0.02 0.00 -0.00 0.00 0.00 55.36 53.89 2ker s GLN 14 Cb -0.06 -3.64 0.25 0.00 0.00 0.00 0.00 33.01 29.57 2ker s GLN 14 CO -0.00 -0.87 0.99 -1.13 0.00 0.00 0.00 175.29 174.27 2ker n SER 15 N 4.83 4.84 0.00 12.60 3.41 -0.16 -4.96 113.62 134.17 2ker n SER 15 Ca -0.10 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 2ker n SER 15 Cb 0.43 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2ker n SER 15 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2ker n TRP 16 N 1.85 0.00 -1.28 7.33 8.01 -1.26 -2.38 117.44 129.72 2ker n TRP 16 Ca 0.25 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.50 2ker n TRP 16 Cb 0.37 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.86 2ker n TRP 16 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 2ker n ARG 17 N 0.00 1.71 -3.61 -0.99 0.63 -1.26 -1.82 116.66 111.32 2ker n ARG 17 Ca 0.00 -2.93 -0.29 0.00 -0.92 0.00 0.00 57.85 53.70 2ker n ARG 17 Cb 0.00 -1.64 -0.15 0.00 0.45 0.00 0.00 32.46 31.12 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2ker s TYR 18 N -3.04 0.77 -0.77 -0.14 6.14 -1.00 -2.72 117.35 116.59 2ker s TYR 18 Ca 0.37 -1.15 -0.20 0.00 0.64 0.00 0.00 57.07 56.74 2ker s TYR 18 Cb 0.34 -1.16 0.11 0.00 0.42 0.00 0.00 41.96 41.67 2ker s TYR 18 CO 0.00 -0.84 0.97 0.99 0.64 0.00 0.00 175.55 177.32 2ker s THR 19 N 1.94 4.65 -0.52 4.34 2.01 0.20 -0.99 115.64 127.28 2ker s THR 19 Ca 0.09 -1.10 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 2ker s THR 19 Cb -0.16 -4.68 0.03 0.00 0.01 0.00 0.00 72.50 67.70 2ker s THR 19 CO -0.32 -1.39 1.03 1.51 -0.69 0.00 0.00 174.62 174.75 2ker s ASP 20 N 3.58 6.46 -0.44 3.53 -4.77 -0.27 -2.51 116.67 122.24 2ker s ASP 20 Ca 0.24 0.03 -0.16 0.00 -3.30 0.00 0.00 52.55 49.37 2ker s ASP 20 Cb -0.13 -2.49 0.04 0.00 -1.09 0.00 0.00 42.92 39.26 2ker s ASP 20 CO 0.00 -1.24 0.39 0.54 0.70 0.00 0.00 175.17 175.56 2ker s VAL 21 N 4.21 5.18 -0.40 2.11 0.11 -1.16 -0.78 120.40 129.67 2ker s VAL 21 Ca 0.38 -0.72 -0.14 0.00 -2.93 0.00 0.00 61.98 58.57 2ker s VAL 21 Cb -0.10 -4.05 0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2ker s VAL 21 CO 0.25 -0.47 0.29 -1.38 -3.33 0.00 0.00 175.10 170.45 2ker s HIS 22 N 1.85 3.24 0.57 1.54 -3.43 0.12 -2.13 115.29 117.05 2ker s HIS 22 Ca 0.07 -0.61 -0.10 0.00 -0.80 0.00 0.00 55.06 53.63 2ker s HIS 22 Cb -0.20 -2.57 -0.04 0.00 -1.43 0.00 0.00 32.58 28.34 2ker s HIS 22 CO 0.10 -0.58 0.95 1.21 -2.00 0.00 0.00 174.74 174.42 2ker s ASN 23 N 1.67 6.28 0.00 7.38 2.47 -0.53 -0.52 114.94 131.69 2ker s ASN 23 Ca 0.05 1.29 0.04 0.00 0.42 0.00 0.00 52.86 54.65 2ker s ASN 23 Cb -0.19 -2.41 0.06 0.00 -1.45 0.00 0.00 41.25 37.27 2ker s ASN 23 CO 0.10 -0.75 0.84 0.61 -3.72 0.00 0.00 177.10 174.17 2ker n GLY 24 N -2.48 0.76 0.17 1.21 0.00 -0.14 -2.64 105.19 102.07 2ker n GLY 24 Ca 0.04 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.92 0.00 -2.43 0.00 0.00 -1.26 -5.01 120.51 109.89 2ker n ALA 26 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 2ker n ALA 26 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.21 2.43 0.01 0.00 -4.77 -1.26 -4.73 116.67 105.13 2ker s ASP 27 Ca 0.00 -0.89 -0.30 0.00 -3.30 0.00 0.00 52.55 48.06 2ker s ASP 27 Cb 0.00 -0.12 -0.05 0.00 -1.09 0.00 0.00 42.92 41.65 2ker s ASP 27 CO 0.00 -0.11 1.35 0.00 0.70 0.00 0.00 175.17 177.11 2ker s ALA 28 N -2.33 3.55 -0.00 2.11 0.00 -1.26 -4.00 121.76 119.83 2ker s ALA 28 Ca 0.15 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2ker s ALA 28 Cb -0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2ker s ALA 28 CO 0.05 -0.82 -0.10 0.14 0.00 0.00 0.00 175.76 175.04 2ker s VAL 29 N 2.13 0.78 -0.18 0.00 -7.23 -1.03 -4.89 120.40 109.97 2ker s VAL 29 Ca 0.62 -0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 60.12 2ker s VAL 29 Cb -0.31 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 2ker s VAL 29 CO 0.26 0.20 0.67 -0.44 -0.31 0.00 0.00 175.10 175.48 2ker s SER 30 N -0.30 6.75 0.06 4.85 0.01 -1.26 0.77 113.70 124.58 2ker s SER 30 Ca 0.03 0.91 0.08 0.00 1.31 0.00 0.00 55.95 58.29 2ker s SER 30 Cb -0.04 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2ker s SER 30 CO -0.00 -0.28 -0.23 0.68 0.41 0.00 0.00 173.24 173.81 2ker s VAL 31 N 1.88 1.87 0.22 3.43 -7.23 0.12 0.72 120.40 121.41 2ker s VAL 31 Ca 0.31 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 2ker s VAL 31 Cb -0.16 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2ker s VAL 31 CO 0.11 0.19 -0.16 0.28 -0.31 0.00 0.00 175.10 175.21 2ker s THR 32 N -0.89 1.91 -0.01 5.32 -1.32 0.25 0.43 115.64 121.32 2ker s THR 32 Ca 0.09 -2.22 0.03 0.00 -1.21 0.00 0.00 61.69 58.38 2ker s THR 32 Cb -0.09 -2.08 -0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2ker s THR 32 CO 0.03 -0.52 -0.10 0.68 -2.21 0.00 0.00 174.62 172.50 2ker s VAL 33 N -2.76 0.79 -0.29 5.08 -7.23 -1.26 0.46 120.40 115.20 2ker s VAL 33 Ca 0.23 -0.41 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2ker s VAL 33 Cb -0.02 -0.68 -0.00 0.00 0.56 0.00 0.00 36.38 36.23 2ker s VAL 33 CO 0.09 0.23 0.09 -0.70 -0.31 0.00 0.00 175.10 174.50 2ker s GLU 34 N -0.08 3.29 0.44 4.82 2.56 0.10 -4.18 118.70 125.66 2ker s GLU 34 Ca 0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 54.97 54.26 2ker s GLU 34 Cb -0.06 -3.39 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 2ker s GLU 34 CO -0.00 -0.37 0.67 0.71 -0.56 0.00 0.00 175.26 175.71 2ker s TYR 35 N 1.55 3.28 0.64 5.30 1.51 -1.26 -0.15 117.35 128.22 2ker s TYR 35 Ca 0.04 0.30 0.29 0.00 -1.01 0.00 0.00 57.07 56.69 2ker s TYR 35 Cb -0.17 -2.28 1.55 0.00 -0.11 0.00 0.00 41.96 40.96 2ker s TYR 35 CO 0.03 -0.31 1.90 1.15 -1.11 0.00 0.00 175.55 177.21 2ker h THR 36 N 0.41 0.13 0.00 -0.71 2.02 -0.20 -3.39 112.91 111.17 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 1.25 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2ker h THR 36 CO 0.58 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.88 2ker n HIS 37 N -3.16 0.00 0.00 3.16 8.25 -1.26 -4.97 115.22 117.24 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 0.48 0.23 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 1.83 -0.61 0.50 -1.41 0.00 -1.26 -5.00 105.19 99.24 2ker n GLY 38 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2ker n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ker n GLN 39 N 0.00 0.73 -2.76 1.61 1.13 -1.26 -4.87 117.38 111.96 2ker n GLN 39 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2ker n GLN 39 Cb 0.00 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2ker n GLN 39 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 2ker n TRP 40 N 0.13 -3.85 -1.77 1.08 -0.00 -1.26 -5.03 117.44 106.75 2ker n TRP 40 Ca 0.00 1.67 -0.04 0.00 -0.00 0.00 0.00 57.50 59.13 2ker n TRP 40 Cb 0.18 -4.02 -0.04 0.00 -0.00 0.00 0.00 31.31 27.43 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 0.43 1.48 -1.62 5.87 0.00 -1.26 -5.05 120.51 120.36 2ker n ALA 41 Ca 0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 2ker n ALA 41 Cb 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 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 3.24 0.00 0.00 -0.05 -1.26 -4.11 135.00 132.82 2ker n PRO 42 Ca -0.14 -2.61 0.00 0.00 -0.05 0.00 0.00 63.50 60.69 2ker n PRO 42 Cb 0.49 -2.35 0.00 0.00 -0.05 0.00 0.00 33.50 31.59 2ker n PRO 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ker s ARG 44 N 0.00 0.53 0.25 0.00 3.00 0.17 -4.40 118.95 118.51 2ker s ARG 44 Ca 0.00 0.92 -0.25 0.00 -1.00 0.00 0.00 55.73 55.40 2ker s ARG 44 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 34.95 34.94 2ker s ARG 44 CO 0.00 -0.14 0.86 0.54 0.00 0.00 0.00 175.30 176.56 2ker s VAL 45 N 1.30 4.30 0.00 7.11 0.11 -1.26 0.11 120.40 132.06 2ker s VAL 45 Ca -0.08 1.73 -0.01 0.00 -2.93 0.00 0.00 61.98 60.68 2ker s VAL 45 Cb -0.07 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 2ker s VAL 45 CO -0.13 0.30 0.15 -0.51 -3.33 0.00 0.00 175.10 171.58 2ker s ILE 46 N -1.42 5.19 0.17 7.04 1.10 0.23 -4.89 121.20 128.62 2ker s ILE 46 Ca 0.44 -0.29 -0.19 0.00 -0.51 0.00 0.00 60.65 60.10 2ker s ILE 46 Cb -0.20 -3.43 -0.08 0.00 0.15 0.00 0.00 42.46 38.90 2ker s ILE 46 CO 0.25 0.30 0.66 -1.61 -2.11 0.00 0.00 174.94 172.43 2ker s GLU 47 N -1.97 4.21 -0.98 3.50 2.02 -1.26 -2.46 118.70 121.76 2ker s GLU 47 Ca 0.27 0.78 -0.21 0.00 0.02 0.00 0.00 54.97 55.83 2ker s GLU 47 Cb -0.12 -2.99 -0.27 0.00 0.10 0.00 0.00 34.13 30.85 2ker s GLU 47 CO 0.19 0.48 2.44 -2.30 0.02 0.00 0.00 175.26 176.09 2ker n PRO 48 N 1.00 0.05 -0.24 0.39 -0.02 -1.26 0.85 135.00 135.78 2ker n PRO 48 Ca -0.05 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2ker n PRO 48 Cb 0.51 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 6.06 0.80 1.78 -1.23 0.00 -1.08 -4.85 105.19 106.67 2ker n GLY 49 Ca 0.65 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.16 0.37 3.58 -0.02 0.00 0.25 -4.58 105.19 102.62 2ker n GLY 50 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.47 2.45 -0.20 1.61 0.52 -1.24 -1.45 118.94 119.17 2ker s TRP 51 Ca 0.31 -0.59 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 2ker s TRP 51 Cb -0.02 -1.57 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 2ker s TRP 51 CO 0.21 0.51 0.25 0.00 0.02 0.00 0.00 176.95 177.94 2ker s ALA 52 N -2.67 -0.41 0.04 0.98 0.00 -0.91 -4.79 121.76 114.00 2ker s ALA 52 Ca 0.34 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 2ker s ALA 52 Cb 0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2ker s ALA 52 CO 0.17 -1.15 1.07 0.99 0.00 0.00 0.00 175.76 176.84 2ker s THR 53 N 2.37 4.49 -0.02 0.00 2.01 -1.26 -3.01 115.64 120.21 2ker s THR 53 Ca 0.07 1.81 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2ker s THR 53 Cb -0.15 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2ker s THR 53 CO -0.12 0.16 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.59 2ker s PHE 54 N 0.91 0.33 -0.51 4.92 0.08 -1.05 -4.95 117.98 117.72 2ker s PHE 54 Ca 0.54 -0.04 -0.31 0.00 0.12 0.00 0.00 56.93 57.24 2ker s PHE 54 Cb -0.25 -0.31 -0.12 0.00 -0.57 0.00 0.00 43.02 41.77 2ker s PHE 54 CO 0.29 -0.07 2.36 0.00 -0.10 0.00 0.00 175.22 177.70 2ker n ALA 55 N 3.55 0.88 -1.00 5.36 0.00 -1.26 -0.63 120.51 127.41 2ker n ALA 55 Ca -0.20 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2ker n ALA 55 Cb 0.55 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 6.34 -2.36 1.69 0.00 0.00 -1.10 -4.09 105.19 105.67 2ker n GLY 56 Ca 0.44 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.52 0.56 -1.51 1.61 4.11 -0.76 -3.25 117.16 117.41 2ker n TYR 57 Ca 0.00 -1.38 -0.31 0.00 -0.00 0.00 0.00 57.90 56.21 2ker n TYR 57 Cb 0.00 -0.74 0.06 0.00 -0.00 0.00 0.00 39.34 38.66 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 1.34 1.66 0.53 -7.48 0.00 -1.23 -4.81 107.32 97.33 2ker s GLY 58 Ca 0.16 0.09 0.31 0.00 0.00 0.00 0.00 44.72 45.28 2ker s GLY 58 CO -0.01 0.42 1.95 -0.91 0.00 0.00 0.00 173.10 174.55 2ker h THR 59 N -0.84 0.11 -0.29 0.90 1.35 -1.91 -0.88 112.91 111.36 2ker h THR 59 Ca -0.44 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2ker h THR 59 Cb 1.22 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2ker h THR 59 CO 0.56 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 2ker n ASP 60 N -3.16 2.60 0.00 5.36 5.75 -1.26 -4.90 116.55 120.95 2ker n ASP 60 Ca 0.01 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2ker n ASP 60 Cb 0.33 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ker n GLY 61 N 1.32 5.11 0.00 6.12 0.00 -0.34 -5.14 105.19 112.27 2ker n GLY 61 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.00 1.61 5.03 -1.20 -4.79 115.26 115.90 2ker n ASN 62 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2ker n ASN 62 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2ker n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ker n TYR 63 N 0.00 0.00 -2.05 3.10 9.36 -1.22 -3.98 117.16 122.37 2ker n TYR 63 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2ker n TYR 63 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 2ker n TYR 63 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2ker s VAL 64 N 0.00 2.95 -0.08 2.97 -7.23 -1.26 0.57 120.40 118.32 2ker s VAL 64 Ca 0.00 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.87 2ker s VAL 64 Cb 0.00 -3.44 -0.07 0.00 0.56 0.00 0.00 36.38 33.44 2ker s VAL 64 CO 0.00 0.06 -0.05 0.35 -0.31 0.00 0.00 175.10 175.14 2ker n THR 65 N 3.89 0.51 -3.84 5.32 -2.24 0.78 -4.90 114.28 113.80 2ker n THR 65 Ca 0.12 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2ker n THR 65 Cb 0.40 -0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 67.67 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 -4.60 0.03 0.35 3.38 0.00 -1.16 -4.99 107.32 100.32 2ker s GLY 66 Ca -0.10 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.60 2ker s GLY 66 CO 0.23 0.22 0.73 1.08 0.00 0.00 0.00 173.10 175.35 2ker s LEU 67 N 0.33 3.98 0.02 0.66 1.43 -1.26 0.02 118.68 123.84 2ker s LEU 67 Ca -0.03 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2ker s LEU 67 Cb -0.04 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 2ker s LEU 67 CO -0.01 -0.27 -0.04 -1.00 0.23 0.00 0.00 176.35 175.26 2ker s HIS 68 N -2.13 0.32 -0.15 0.29 3.76 0.17 -4.32 115.29 113.23 2ker s HIS 68 Ca 0.52 -0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.84 2ker s HIS 68 Cb -0.10 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 2ker s HIS 68 CO 0.24 -0.10 0.84 0.99 -0.85 0.00 0.00 174.74 175.86 2ker s THR 69 N -0.91 4.89 0.36 1.30 2.01 -1.22 0.85 115.64 122.91 2ker s THR 69 Ca -0.08 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.55 2ker s THR 69 Cb -0.07 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2ker s THR 69 CO -0.00 0.05 0.60 0.00 -0.69 0.00 0.00 174.62 174.57 2ker s ASP 71 N -3.81 5.94 0.00 0.00 -4.77 -1.26 -4.28 116.67 108.48 2ker s ASP 71 Ca 0.43 0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 2ker s ASP 71 Cb -0.10 -1.82 0.00 0.00 -1.09 0.00 0.00 42.92 39.91 2ker s ASP 71 CO 0.36 0.36 0.19 -2.65 0.70 0.00 0.00 175.17 174.13 2ker n PRO 72 N 1.76 0.00 -2.98 2.11 -0.01 -1.26 -4.73 135.00 129.89 2ker n PRO 72 Ca -0.17 0.00 0.01 0.00 -0.01 0.00 0.00 63.50 63.32 2ker n PRO 72 Cb 0.54 -0.19 0.00 0.00 -0.01 0.00 0.00 33.50 33.84 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 0.01 -3.25 0.04 3.55 0.00 -1.26 -5.15 121.76 115.70 2ker s ALA 73 Ca 0.00 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 2ker s ALA 73 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 2ker s ALA 73 CO 0.00 -2.34 0.51 -0.08 0.00 0.00 0.00 175.76 173.85 2ker s THR 74 N 1.76 4.86 -0.43 0.00 -1.32 -1.26 -4.69 115.64 114.56 2ker s THR 74 Ca 0.17 1.08 -0.27 0.00 -1.21 0.00 0.00 61.69 61.45 2ker s THR 74 Cb -0.00 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2ker s THR 74 CO -0.10 0.55 2.04 -2.16 -2.21 0.00 0.00 174.62 172.74 2ker s PRO 75 N -1.00 2.80 -0.14 7.08 0.04 -1.26 -3.97 135.00 138.54 2ker s PRO 75 Ca 0.27 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 2ker s PRO 75 Cb -0.18 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2ker s PRO 75 CO 0.17 -2.49 0.02 0.43 0.04 0.00 0.00 177.00 175.17 2ker n SER 76 N 12.60 -4.34 -3.74 6.66 7.64 -1.26 -4.97 113.62 126.21 2ker n SER 76 Ca 0.27 0.72 -0.37 0.00 1.01 0.00 0.00 58.87 60.49 2ker n SER 76 Cb 0.50 -3.17 -0.02 0.00 -1.01 0.00 0.00 64.21 60.50 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 0.44 5.17 0.67 0.23 0.00 -1.25 -5.22 105.19 105.23 2ker n GLY 77 Ca -0.04 -2.70 0.13 0.00 0.00 0.00 0.00 46.02 43.41 2ker n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65