#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 4.24 -0.63 0.00 2.01 -1.26 -4.99 115.64 115.01 2ker s THR 2 Ca 0.00 1.56 -0.20 0.00 0.31 0.00 0.00 61.69 63.36 2ker s THR 2 Cb 0.00 -4.01 0.09 0.00 0.01 0.00 0.00 72.50 68.60 2ker s THR 2 CO 0.00 -0.00 0.81 -0.83 -0.69 0.00 0.00 174.62 173.91 2ker s GLY 3 N 1.49 1.64 0.50 4.40 0.00 -1.26 -5.05 107.32 109.04 2ker s GLY 3 Ca 0.56 -2.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 2ker s GLY 3 CO 0.22 1.77 0.79 -0.56 0.00 0.00 0.00 173.10 175.32 2ker s SER 4 N 3.64 6.00 0.41 1.64 0.01 -1.26 -5.04 113.70 119.10 2ker s SER 4 Ca 0.16 0.76 -0.25 0.00 1.31 0.00 0.00 55.95 57.92 2ker s SER 4 Cb -0.21 -1.98 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 2ker s SER 4 CO 0.07 -0.73 1.25 -2.16 0.41 0.00 0.00 173.24 172.08 2ker s PRO 5 N -4.77 3.97 3.27 12.44 0.04 -1.26 -4.54 135.00 144.14 2ker s PRO 5 Ca 0.49 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2ker s PRO 5 Cb -0.10 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2ker s PRO 5 CO 0.44 -0.45 0.00 1.33 0.04 0.00 0.00 177.00 178.36 2ker n VAL 6 N 0.06 0.00 0.00 -0.36 0.24 -1.26 -1.96 118.33 115.05 2ker n VAL 6 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2ker n VAL 6 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 4.58 1.22 0.00 2.33 0.00 -1.26 -4.80 120.51 122.58 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 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.02 0.00 0.05 0.00 1.02 -0.83 -4.66 120.64 115.20 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 0.01 -0.69 0.50 0.00 -0.02 0.00 0.00 31.44 31.25 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 -3.05 5.25 -0.05 0.00 -7.23 -1.26 -0.30 120.40 113.77 2ker s VAL 10 Ca 0.12 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2ker s VAL 10 Cb 0.16 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.56 2ker s VAL 10 CO 0.57 0.59 0.04 -0.70 -0.31 0.00 0.00 175.10 175.29 2ker s GLU 11 N -1.08 0.11 0.55 4.82 2.12 0.19 -4.91 118.70 120.50 2ker s GLU 11 Ca 0.20 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.86 2ker s GLU 11 Cb -0.14 -0.63 0.04 0.00 0.26 0.00 0.00 34.13 33.66 2ker s GLU 11 CO 0.09 -0.32 0.77 1.52 -0.54 0.00 0.00 175.26 176.79 2ker s TYR 12 N 2.10 2.65 0.37 5.30 -0.85 -1.24 0.04 117.35 125.72 2ker s TYR 12 Ca 0.05 -0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2ker s TYR 12 Cb -0.12 -2.71 0.01 0.00 0.38 0.00 0.00 41.96 39.52 2ker s TYR 12 CO -0.04 -0.92 0.52 0.12 -1.52 0.00 0.00 175.55 173.71 2ker s PHE 13 N -2.75 1.05 -0.16 -3.49 5.36 -0.62 -4.90 117.98 112.47 2ker s PHE 13 Ca 0.58 -1.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.24 2ker s PHE 13 Cb -0.10 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.62 2ker s PHE 13 CO 0.38 -1.22 -0.08 1.14 -1.46 0.00 0.00 175.22 173.98 2ker s GLN 14 N -2.80 1.71 -0.61 10.12 0.00 -1.26 -2.34 119.66 124.48 2ker s GLN 14 Ca 0.30 -0.56 0.04 0.00 -0.00 0.00 0.00 55.36 55.14 2ker s GLN 14 Cb -0.01 -2.06 0.15 0.00 0.00 0.00 0.00 33.01 31.09 2ker s GLN 14 CO 0.21 -0.38 0.39 0.45 0.00 0.00 0.00 175.29 175.96 2ker s SER 15 N 1.57 4.43 1.47 12.60 0.15 0.01 -4.99 113.70 128.95 2ker s SER 15 Ca 0.01 -3.46 0.00 0.00 0.70 0.00 0.00 55.95 53.21 2ker s SER 15 Cb -0.15 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2ker s SER 15 CO -0.08 -0.15 0.00 0.79 1.20 0.00 0.00 173.24 175.00 2ker n TRP 16 N 2.49 0.00 -1.11 3.44 8.01 -1.26 -1.44 117.44 127.58 2ker n TRP 16 Ca 0.14 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.28 2ker n TRP 16 Cb 0.34 0.00 0.28 0.00 -2.01 0.00 0.00 31.31 29.92 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 3.29 -3.82 -0.99 0.63 -1.26 -1.63 116.66 112.88 2ker n ARG 17 Ca 0.00 -3.07 -0.30 0.00 -0.92 0.00 0.00 57.85 53.56 2ker n ARG 17 Cb 0.00 -2.12 -0.14 0.00 0.45 0.00 0.00 32.46 30.64 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 2.45 -0.71 -0.14 6.14 -0.52 -1.88 117.35 119.66 2ker s TYR 18 Ca 0.53 -2.43 -0.23 0.00 0.64 0.00 0.00 57.07 55.58 2ker s TYR 18 Cb 0.43 -2.19 0.07 0.00 0.42 0.00 0.00 41.96 40.69 2ker s TYR 18 CO 0.11 -0.85 1.05 0.99 0.64 0.00 0.00 175.55 177.49 2ker s THR 19 N 0.81 4.24 -0.59 4.34 2.01 0.46 -0.81 115.64 126.11 2ker s THR 19 Ca 0.13 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.55 2ker s THR 19 Cb -0.21 -4.75 0.05 0.00 0.01 0.00 0.00 72.50 67.60 2ker s THR 19 CO -0.10 -1.55 0.96 1.51 -0.69 0.00 0.00 174.62 174.75 2ker s ASP 20 N 3.74 6.28 -0.47 3.53 -4.77 -0.99 -2.69 116.67 121.31 2ker s ASP 20 Ca 0.26 -0.54 -0.18 0.00 -3.30 0.00 0.00 52.55 48.80 2ker s ASP 20 Cb -0.14 -2.43 0.05 0.00 -1.09 0.00 0.00 42.92 39.31 2ker s ASP 20 CO 0.09 -1.31 0.51 0.54 0.70 0.00 0.00 175.17 175.70 2ker s VAL 21 N 4.04 5.02 -0.37 2.11 0.11 -1.19 -1.58 120.40 128.54 2ker s VAL 21 Ca 0.28 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 58.63 2ker s VAL 21 Cb -0.14 -4.17 -0.00 0.00 -1.53 0.00 0.00 36.38 30.54 2ker s VAL 21 CO 0.16 -0.62 0.37 -1.38 -3.33 0.00 0.00 175.10 170.31 2ker s HIS 22 N 2.25 3.20 0.44 1.54 -3.43 0.11 -2.25 115.29 117.15 2ker s HIS 22 Ca 0.12 -0.17 -0.21 0.00 -0.80 0.00 0.00 55.06 54.00 2ker s HIS 22 Cb -0.19 -2.72 -0.11 0.00 -1.43 0.00 0.00 32.58 28.13 2ker s HIS 22 CO 0.12 -0.51 0.96 1.21 -2.00 0.00 0.00 174.74 174.51 2ker s ASN 23 N 1.75 6.86 -0.04 7.38 2.47 -0.46 -0.64 114.94 132.26 2ker s ASN 23 Ca 0.11 1.71 0.05 0.00 0.42 0.00 0.00 52.86 55.16 2ker s ASN 23 Cb -0.17 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.17 2ker s ASN 23 CO 0.12 -0.42 0.93 0.61 -3.72 0.00 0.00 177.10 174.62 2ker n GLY 24 N -0.63 1.38 3.86 1.21 0.00 0.59 -2.35 105.19 109.25 2ker n GLY 24 Ca 0.07 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.49 2.07 -2.34 0.00 0.00 -1.26 -3.95 120.51 113.54 2ker n ALA 26 Ca 0.04 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 2ker n ALA 26 Cb 0.54 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.89 2.47 -0.03 0.00 -4.77 -1.26 -4.74 116.67 105.46 2ker s ASP 27 Ca 0.14 -1.04 -0.30 0.00 -3.30 0.00 0.00 52.55 48.04 2ker s ASP 27 Cb 0.15 -0.12 -0.05 0.00 -1.09 0.00 0.00 42.92 41.81 2ker s ASP 27 CO 0.40 -0.22 1.40 0.00 0.70 0.00 0.00 175.17 177.45 2ker s ALA 28 N -3.03 3.59 -0.00 2.11 0.00 -1.26 -4.05 121.76 119.11 2ker s ALA 28 Ca 0.23 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.07 2ker s ALA 28 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2ker s ALA 28 CO 0.07 -0.98 -0.19 0.14 0.00 0.00 0.00 175.76 174.80 2ker s VAL 29 N 2.67 1.49 -0.21 0.00 -7.23 -0.99 -4.85 120.40 111.28 2ker s VAL 29 Ca 0.63 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.73 2ker s VAL 29 Cb -0.30 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2ker s VAL 29 CO 0.25 0.37 0.61 -0.44 -0.31 0.00 0.00 175.10 175.58 2ker s SER 30 N -0.59 6.63 0.17 4.85 0.01 -1.26 0.74 113.70 124.25 2ker s SER 30 Ca 0.07 0.77 0.11 0.00 1.31 0.00 0.00 55.95 58.21 2ker s SER 30 Cb -0.07 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 2ker s SER 30 CO -0.00 -0.29 -0.24 0.68 0.41 0.00 0.00 173.24 173.80 2ker s VAL 31 N 2.04 2.28 0.14 3.43 -7.23 0.15 0.76 120.40 121.96 2ker s VAL 31 Ca 0.27 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2ker s VAL 31 Cb -0.16 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2ker s VAL 31 CO 0.10 -0.07 -0.12 0.28 -0.31 0.00 0.00 175.10 174.98 2ker s THR 32 N -1.52 1.24 -0.01 5.32 -1.32 0.27 0.67 115.64 120.28 2ker s THR 32 Ca 0.18 -1.93 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 2ker s THR 32 Cb -0.08 -1.72 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 2ker s THR 32 CO 0.09 -0.62 -0.08 0.68 -2.21 0.00 0.00 174.62 172.47 2ker s VAL 33 N -2.87 0.67 -0.28 5.08 -7.23 -1.26 0.41 120.40 114.91 2ker s VAL 33 Ca 0.14 -0.36 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 2ker s VAL 33 Cb -0.00 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2ker s VAL 33 CO 0.02 0.19 0.12 -0.70 -0.31 0.00 0.00 175.10 174.41 2ker s GLU 34 N -0.18 3.47 0.34 4.82 2.12 0.11 -4.08 118.70 125.31 2ker s GLU 34 Ca 0.03 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 2ker s GLU 34 Cb -0.04 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2ker s GLU 34 CO -0.00 -0.32 0.63 0.71 -0.54 0.00 0.00 175.26 175.74 2ker s TYR 35 N 1.61 3.49 0.32 5.30 2.02 -1.26 -0.15 117.35 128.68 2ker s TYR 35 Ca 0.05 0.72 0.10 0.00 -0.37 0.00 0.00 57.07 57.57 2ker s TYR 35 Cb -0.16 -2.18 0.95 0.00 -0.40 0.00 0.00 41.96 40.17 2ker s TYR 35 CO 0.05 0.06 1.65 1.15 -1.57 0.00 0.00 175.55 176.89 2ker h THR 36 N 1.12 0.28 0.00 -0.71 2.02 -0.28 -3.37 112.91 111.97 2ker h THR 36 Ca -0.48 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2ker h THR 36 Cb 1.19 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2ker h THR 36 CO 0.65 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.99 2ker n HIS 37 N -5.14 0.00 0.00 3.16 8.25 -1.26 -4.96 115.22 115.26 2ker n HIS 37 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2ker n HIS 37 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 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 3.14 2.32 3.60 -1.41 0.00 -1.26 -5.13 105.19 106.45 2ker n GLY 38 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.09 0.40 0.36 1.61 -1.52 -1.26 -5.08 119.66 114.08 2ker s GLN 39 Ca 0.00 0.05 -0.26 0.00 -1.95 0.00 0.00 55.36 53.20 2ker s GLN 39 Cb 0.00 0.19 -0.09 0.00 -0.22 0.00 0.00 33.01 32.89 2ker s GLN 39 CO 0.00 -0.14 1.03 1.67 -0.25 0.00 0.00 175.29 177.61 2ker s TRP 40 N -1.34 3.44 0.00 0.91 -2.14 -1.26 -4.50 118.94 114.05 2ker s TRP 40 Ca 0.03 1.69 0.00 0.00 2.66 0.00 0.00 56.10 60.49 2ker s TRP 40 Cb -0.01 -3.11 0.00 0.00 -3.10 0.00 0.00 33.47 27.26 2ker s TRP 40 CO -0.03 -0.39 0.00 0.00 -2.66 0.00 0.00 176.95 173.87 2ker n ALA 41 N 0.35 0.00 -0.24 2.67 0.00 -1.26 -5.06 120.51 116.97 2ker n ALA 41 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2ker n ALA 41 Cb 0.49 0.00 -0.01 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 -4.29 135.00 129.41 2ker n PRO 42 Ca 0.00 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2ker n PRO 42 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 0.11 -0.05 0.00 1.81 0.21 -4.84 118.95 116.19 2ker s ARG 44 Ca 0.00 0.60 -0.30 0.00 -1.72 0.00 0.00 55.73 54.31 2ker s ARG 44 Cb 0.00 -0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.33 2ker s ARG 44 CO 0.00 -0.26 0.98 0.54 -0.68 0.00 0.00 175.30 175.88 2ker s VAL 45 N 2.02 4.84 0.12 3.52 0.11 -1.26 0.29 120.40 130.05 2ker s VAL 45 Ca -0.01 2.03 -0.11 0.00 -2.93 0.00 0.00 61.98 60.96 2ker s VAL 45 Cb -0.12 -4.31 -0.06 0.00 -1.53 0.00 0.00 36.38 30.36 2ker s VAL 45 CO -0.07 0.10 0.46 -0.51 -3.33 0.00 0.00 175.10 171.75 2ker s ILE 46 N 1.44 5.01 0.23 7.04 1.10 0.23 -4.89 121.20 131.34 2ker s ILE 46 Ca 0.50 0.53 -0.24 0.00 -0.51 0.00 0.00 60.65 60.93 2ker s ILE 46 Cb -0.20 -3.67 -0.09 0.00 0.15 0.00 0.00 42.46 38.66 2ker s ILE 46 CO 0.23 0.21 0.81 -1.61 -2.11 0.00 0.00 174.94 172.47 2ker s GLU 47 N -2.10 4.49 -0.85 3.50 2.02 -1.26 -2.34 118.70 122.16 2ker s GLU 47 Ca 0.37 1.13 -0.24 0.00 0.02 0.00 0.00 54.97 56.25 2ker s GLU 47 Cb -0.14 -3.02 -0.20 0.00 0.10 0.00 0.00 34.13 30.87 2ker s GLU 47 CO 0.19 0.44 2.47 -2.30 0.02 0.00 0.00 175.26 176.08 2ker n PRO 48 N 1.05 0.33 0.00 0.39 -0.02 -1.26 0.66 135.00 136.15 2ker n PRO 48 Ca -0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ker n PRO 48 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 6.20 0.79 2.57 -1.23 0.00 -0.99 -4.94 105.19 107.58 2ker n GLY 49 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.90 1.19 3.61 -0.02 0.00 0.21 -4.62 105.19 103.66 2ker n GLY 50 Ca 0.00 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.72 2.51 -0.13 1.61 0.52 -1.25 -1.36 118.94 119.12 2ker s TRP 51 Ca 0.42 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 56.06 2ker s TRP 51 Cb -0.03 -1.45 0.05 0.00 -1.15 0.00 0.00 33.47 30.89 2ker s TRP 51 CO 0.28 0.51 0.06 0.00 0.02 0.00 0.00 176.95 177.82 2ker s ALA 52 N -2.54 0.52 -0.05 0.98 0.00 -0.95 -4.79 121.76 114.92 2ker s ALA 52 Ca 0.34 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 2ker s ALA 52 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2ker s ALA 52 CO 0.19 -0.91 0.89 0.99 0.00 0.00 0.00 175.76 176.92 2ker s THR 53 N 2.07 4.91 -0.01 0.00 2.01 -1.26 -3.17 115.64 120.20 2ker s THR 53 Ca 0.03 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.88 2ker s THR 53 Cb -0.15 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 2ker s THR 53 CO -0.07 0.15 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.61 2ker s PHE 54 N 1.22 0.35 -0.70 4.92 0.08 -1.09 -4.95 117.98 117.81 2ker s PHE 54 Ca 0.46 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.15 2ker s PHE 54 Cb -0.19 -0.24 -0.14 0.00 -0.57 0.00 0.00 43.02 41.88 2ker s PHE 54 CO 0.22 -0.02 2.52 0.00 -0.10 0.00 0.00 175.22 177.84 2ker n ALA 55 N 3.07 0.59 -0.86 5.36 0.00 -1.26 -0.40 120.51 127.02 2ker n ALA 55 Ca -0.14 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 2ker n ALA 55 Cb 0.58 -2.73 0.24 0.00 0.00 0.00 0.00 19.45 17.53 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 6.29 -3.07 2.24 0.00 0.00 -0.79 -4.12 105.19 105.74 2ker n GLY 56 Ca 0.50 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.87 0.79 -3.26 1.61 4.11 -0.65 -4.52 117.16 110.37 2ker n TYR 57 Ca 0.13 -1.72 -0.38 0.00 -0.00 0.00 0.00 57.90 55.93 2ker n TYR 57 Cb 0.53 -1.50 -0.06 0.00 -0.00 0.00 0.00 39.34 38.31 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 1.19 2.63 -0.69 -7.48 0.00 -1.14 -3.42 107.32 98.41 2ker s GLY 58 Ca 0.63 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.37 2ker s GLY 58 CO -0.11 0.41 0.00 2.41 0.00 0.00 0.00 173.10 175.81 2ker n THR 59 N 1.38 0.00 -3.15 0.90 -1.04 -1.26 -2.87 114.28 108.24 2ker n THR 59 Ca -0.08 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 2ker n THR 59 Cb 0.51 -1.06 0.04 0.00 -1.82 0.00 0.00 70.33 67.99 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 -0.52 -5.83 0.00 8.00 8.00 -1.22 -4.96 116.55 120.02 2ker n ASP 60 Ca -0.06 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2ker n ASP 60 Cb 0.40 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 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 -1.54 1.42 3.74 0.44 0.00 -1.14 -5.01 105.19 103.10 2ker n GLY 61 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.00 5.41 -0.14 1.61 -0.87 -1.26 -4.73 114.94 113.96 2ker s ASN 62 Ca 0.00 0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 2ker s ASN 62 Cb 0.00 -1.49 0.02 0.00 -0.02 0.00 0.00 41.25 39.77 2ker s ASN 62 CO 0.00 0.27 -0.14 -0.47 -2.57 0.00 0.00 177.10 174.19 2ker s TYR 63 N -1.15 2.08 0.17 2.20 5.04 -1.26 -3.20 117.35 121.23 2ker s TYR 63 Ca 0.22 -1.14 -0.32 0.00 -2.44 0.00 0.00 57.07 53.39 2ker s TYR 63 Cb -0.12 -1.54 -0.10 0.00 0.35 0.00 0.00 41.96 40.55 2ker s TYR 63 CO 0.13 -0.63 1.59 0.14 -1.34 0.00 0.00 175.55 175.44 2ker s VAL 64 N 1.44 2.51 0.00 3.14 -7.23 -1.26 0.50 120.40 119.50 2ker s VAL 64 Ca 0.03 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2ker s VAL 64 Cb -0.13 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.58 2ker s VAL 64 CO -0.09 0.03 0.00 0.35 -0.31 0.00 0.00 175.10 175.08 2ker n THR 65 N 3.94 0.00 -3.94 5.32 -2.24 0.79 -4.90 114.28 113.24 2ker n THR 65 Ca 0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2ker n THR 65 Cb 0.38 -0.85 -0.17 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.85 0.48 0.12 3.38 0.00 -1.17 -4.98 107.32 102.30 2ker s GLY 66 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 2ker s GLY 66 CO 0.00 0.82 0.62 1.08 0.00 0.00 0.00 173.10 175.61 2ker s LEU 67 N 1.50 4.48 0.06 0.66 1.43 -1.26 0.07 118.68 125.61 2ker s LEU 67 Ca -0.02 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 2ker s LEU 67 Cb -0.13 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 2ker s LEU 67 CO -0.03 0.20 -0.12 -1.00 0.23 0.00 0.00 176.35 175.62 2ker s HIS 68 N -1.24 1.06 -0.05 0.29 3.76 0.16 -4.06 115.29 115.22 2ker s HIS 68 Ca 0.33 -0.46 -0.28 0.00 -0.15 0.00 0.00 55.06 54.51 2ker s HIS 68 Cb -0.19 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 2ker s HIS 68 CO 0.20 0.02 0.90 0.99 -0.85 0.00 0.00 174.74 176.00 2ker s THR 69 N -1.26 4.90 0.44 1.30 2.01 -1.26 0.95 115.64 122.71 2ker s THR 69 Ca -0.04 1.87 0.06 0.00 0.31 0.00 0.00 61.69 63.89 2ker s THR 69 Cb -0.10 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2ker s THR 69 CO 0.02 0.14 0.61 0.00 -0.69 0.00 0.00 174.62 174.70 2ker s ASP 71 N -4.33 0.04 0.00 0.00 -4.77 -1.26 -4.34 116.67 102.00 2ker s ASP 71 Ca 0.54 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.65 2ker s ASP 71 Cb -0.10 0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.91 2ker s ASP 71 CO 0.34 -0.23 0.10 -2.65 0.70 0.00 0.00 175.17 173.43 2ker n PRO 72 N 2.06 0.00 -2.69 2.11 -0.01 -1.26 -4.56 135.00 130.64 2ker n PRO 72 Ca -0.19 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.26 2ker n PRO 72 Cb 0.57 -0.14 0.04 0.00 -0.01 0.00 0.00 33.50 33.96 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ker n ALA 73 N 0.54 -3.19 -1.81 3.55 0.00 -1.26 -5.16 120.51 113.19 2ker n ALA 73 Ca 0.00 -0.35 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 2ker n ALA 73 Cb 0.05 -2.79 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 2ker n ALA 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ker s THR 74 N 0.71 3.39 -0.13 0.00 -4.23 -1.26 -4.97 115.64 109.15 2ker s THR 74 Ca 0.26 1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 61.84 2ker s THR 74 Cb 0.14 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 2ker s THR 74 CO -0.11 0.31 1.17 -2.16 -0.54 0.00 0.00 174.62 173.29 2ker s PRO 75 N -1.29 4.30 0.52 3.99 0.04 -1.26 -5.04 135.00 136.26 2ker s PRO 75 Ca 0.46 1.57 0.06 0.00 0.04 0.00 0.00 61.00 63.14 2ker s PRO 75 Cb -0.33 -3.64 0.05 0.00 0.04 0.00 0.00 34.50 30.62 2ker s PRO 75 CO 0.42 -0.55 0.72 -1.12 0.04 0.00 0.00 177.00 176.51 2ker s SER 76 N 1.55 5.27 0.08 6.66 0.01 -1.26 -4.94 113.70 121.07 2ker s SER 76 Ca 0.52 -0.46 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 2ker s SER 76 Cb -0.21 -0.35 -0.17 0.00 0.21 0.00 0.00 66.02 65.50 2ker s SER 76 CO 0.16 -1.13 1.65 1.23 0.41 0.00 0.00 173.24 175.56 2ker h GLY 77 N 0.26 -0.74 0.00 3.44 0.00 -2.04 -3.51 103.07 100.49 2ker h GLY 77 Ca -0.37 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2ker h GLY 77 CO 0.45 -0.27 0.00 -0.62 0.00 0.00 0.00 176.54 176.09