#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 1.31 -1.53 0.00 1.35 -2.06 -3.31 112.91 108.67 2ker h THR 2 Ca 0.00 -1.17 -0.63 0.00 -0.55 0.00 0.00 66.41 64.06 2ker h THR 2 Cb 0.00 1.68 -0.39 0.00 -1.73 0.00 0.00 68.15 67.72 2ker h THR 2 CO 0.00 0.35 -0.32 0.61 -0.25 0.00 0.00 175.52 175.91 2ker n GLY 3 N 0.02 5.94 2.21 5.82 0.00 -1.26 -4.77 105.19 113.15 2ker n GLY 3 Ca -0.05 -2.69 -0.20 0.00 0.00 0.00 0.00 46.02 43.09 2ker n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ker n SER 4 N -0.53 0.77 -4.87 1.61 2.88 -1.25 -5.02 113.62 107.22 2ker n SER 4 Ca 0.43 -2.95 -0.37 0.00 -1.33 0.00 0.00 58.87 54.65 2ker n SER 4 Cb 0.60 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 2ker n SER 4 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ker s PRO 5 N -2.16 3.59 1.93 -1.46 0.04 -1.26 -4.77 135.00 130.92 2ker s PRO 5 Ca 0.39 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2ker s PRO 5 Cb 0.30 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2ker s PRO 5 CO -0.09 0.75 0.00 1.33 0.04 0.00 0.00 177.00 179.03 2ker n VAL 6 N 1.94 0.00 0.00 -0.36 0.24 -1.23 -0.80 118.33 118.12 2ker n VAL 6 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2ker n VAL 6 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 4.60 1.11 0.00 2.33 0.00 -1.26 -4.77 120.51 122.51 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 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.03 0.00 0.16 0.00 1.02 0.02 -4.63 120.64 116.18 2ker n GLU 8 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2ker n GLU 8 Cb 0.02 -1.81 0.27 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.16 4.95 -0.13 0.00 -7.23 -1.26 -0.94 120.40 112.63 2ker s VAL 10 Ca 0.08 0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 61.08 2ker s VAL 10 Cb 0.09 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.33 2ker s VAL 10 CO 0.64 0.46 0.03 -0.70 -0.31 0.00 0.00 175.10 175.23 2ker s GLU 11 N -1.38 0.48 0.42 4.82 2.12 0.61 -4.89 118.70 120.88 2ker s GLU 11 Ca 0.29 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.56 2ker s GLU 11 Cb -0.16 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.76 2ker s GLU 11 CO 0.16 -0.48 0.62 1.52 -0.54 0.00 0.00 175.26 176.55 2ker s TYR 12 N 1.98 3.19 0.27 5.30 -0.85 -1.23 0.15 117.35 126.14 2ker s TYR 12 Ca 0.02 0.12 -0.06 0.00 -0.52 0.00 0.00 57.07 56.63 2ker s TYR 12 Cb -0.14 -2.24 -0.01 0.00 0.38 0.00 0.00 41.96 39.94 2ker s TYR 12 CO -0.07 -0.28 0.39 0.12 -1.52 0.00 0.00 175.55 174.19 2ker s PHE 13 N -2.47 0.80 -0.10 -3.49 5.36 -0.45 -4.93 117.98 112.70 2ker s PHE 13 Ca 0.48 -1.07 0.03 0.00 -0.96 0.00 0.00 56.93 55.40 2ker s PHE 13 Cb -0.10 -0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 2ker s PHE 13 CO 0.36 -0.94 -0.20 1.14 -1.46 0.00 0.00 175.22 174.12 2ker s GLN 14 N -3.76 2.64 -0.38 10.12 0.00 -1.26 -1.94 119.66 125.08 2ker s GLN 14 Ca 0.29 -0.73 0.04 0.00 -0.00 0.00 0.00 55.36 54.97 2ker s GLN 14 Cb 0.01 -2.10 0.16 0.00 0.00 0.00 0.00 33.01 31.09 2ker s GLN 14 CO 0.13 0.06 0.44 0.45 0.00 0.00 0.00 175.29 176.37 2ker s SER 15 N 0.64 0.54 -0.43 12.60 0.15 -0.75 -5.01 113.70 121.44 2ker s SER 15 Ca -0.13 -1.43 -0.22 0.00 0.70 0.00 0.00 55.95 54.87 2ker s SER 15 Cb -0.16 0.88 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 2ker s SER 15 CO 0.03 -0.23 0.62 1.87 1.20 0.00 0.00 173.24 176.73 2ker n TRP 16 N 4.24 -3.30 -1.97 3.44 -0.00 -1.26 -3.31 117.44 115.29 2ker n TRP 16 Ca 0.12 1.34 -0.20 0.00 -0.00 0.00 0.00 57.50 58.76 2ker n TRP 16 Cb 0.48 -3.51 -0.05 0.00 -0.00 0.00 0.00 31.31 28.22 2ker n TRP 16 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 2ker n ARG 17 N -0.27 -1.58 -3.56 5.87 0.63 -1.26 -4.90 116.66 111.60 2ker n ARG 17 Ca 0.07 1.08 -0.29 0.00 -0.92 0.00 0.00 57.85 57.78 2ker n ARG 17 Cb 0.52 -5.58 -0.14 0.00 0.45 0.00 0.00 32.46 27.70 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 -2.83 0.68 -0.65 -0.14 6.14 -1.21 -2.69 117.35 116.65 2ker s TYR 18 Ca 0.00 -1.24 -0.22 0.00 0.64 0.00 0.00 57.07 56.25 2ker s TYR 18 Cb 0.00 -1.06 0.08 0.00 0.42 0.00 0.00 41.96 41.39 2ker s TYR 18 CO 0.00 -0.84 0.93 0.99 0.64 0.00 0.00 175.55 177.27 2ker s THR 19 N 1.72 4.40 -0.47 4.34 2.01 0.59 -1.81 115.64 126.44 2ker s THR 19 Ca 0.12 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 2ker s THR 19 Cb -0.18 -4.66 0.03 0.00 0.01 0.00 0.00 72.50 67.70 2ker s THR 19 CO -0.25 -1.41 0.95 1.51 -0.69 0.00 0.00 174.62 174.73 2ker s ASP 20 N 3.68 6.51 -0.41 3.53 -4.77 -0.82 -2.61 116.67 121.77 2ker s ASP 20 Ca 0.21 0.14 -0.13 0.00 -3.30 0.00 0.00 52.55 49.46 2ker s ASP 20 Cb -0.18 -2.46 0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2ker s ASP 20 CO 0.09 -1.08 0.29 0.54 0.70 0.00 0.00 175.17 175.72 2ker s VAL 21 N 3.83 4.98 -0.40 2.11 0.11 -1.17 -1.34 120.40 128.52 2ker s VAL 21 Ca 0.38 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.42 2ker s VAL 21 Cb -0.10 -3.84 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 2ker s VAL 21 CO 0.27 -0.36 0.29 -1.38 -3.33 0.00 0.00 175.10 170.58 2ker s HIS 22 N 1.62 3.24 0.53 1.54 -3.43 0.12 -2.21 115.29 116.70 2ker s HIS 22 Ca 0.04 -0.58 -0.15 0.00 -0.80 0.00 0.00 55.06 53.57 2ker s HIS 22 Cb -0.20 -2.57 -0.07 0.00 -1.43 0.00 0.00 32.58 28.31 2ker s HIS 22 CO 0.08 -0.57 0.98 1.21 -2.00 0.00 0.00 174.74 174.44 2ker s ASN 23 N 1.68 6.52 -0.03 7.38 2.47 -0.58 -0.28 114.94 132.09 2ker s ASN 23 Ca 0.05 1.51 0.17 0.00 0.42 0.00 0.00 52.86 55.01 2ker s ASN 23 Cb -0.19 -2.49 0.30 0.00 -1.45 0.00 0.00 41.25 37.42 2ker s ASN 23 CO 0.10 -0.65 1.13 0.61 -3.72 0.00 0.00 177.10 174.57 2ker n GLY 24 N -1.86 0.94 0.21 1.21 0.00 -0.11 -2.50 105.19 103.08 2ker n GLY 24 Ca 0.06 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.03 0.00 -2.46 0.00 0.00 -1.26 -5.00 120.51 109.76 2ker n ALA 26 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 2ker n ALA 26 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.40 3.50 0.02 0.00 -4.77 -1.26 -4.64 116.67 108.12 2ker s ASP 27 Ca 0.00 -1.00 -0.30 0.00 -3.30 0.00 0.00 52.55 47.95 2ker s ASP 27 Cb 0.00 -0.28 -0.07 0.00 -1.09 0.00 0.00 42.92 41.48 2ker s ASP 27 CO 0.00 0.04 1.61 0.00 0.70 0.00 0.00 175.17 177.52 2ker s ALA 28 N -2.37 3.64 -0.02 2.11 0.00 -1.26 -4.14 121.76 119.73 2ker s ALA 28 Ca 0.28 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.36 2ker s ALA 28 Cb -0.05 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2ker s ALA 28 CO 0.14 -1.16 -0.17 0.14 0.00 0.00 0.00 175.76 174.71 2ker s VAL 29 N 3.01 1.32 -0.26 0.00 -7.23 -1.04 -4.86 120.40 111.35 2ker s VAL 29 Ca 0.72 -0.70 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 2ker s VAL 29 Cb -0.36 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2ker s VAL 29 CO 0.31 0.38 0.74 -0.44 -0.31 0.00 0.00 175.10 175.77 2ker s SER 30 N -0.28 6.69 0.17 4.85 0.01 -1.26 0.75 113.70 124.64 2ker s SER 30 Ca 0.04 0.83 0.09 0.00 1.31 0.00 0.00 55.95 58.22 2ker s SER 30 Cb -0.08 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2ker s SER 30 CO -0.00 -0.47 -0.13 0.68 0.41 0.00 0.00 173.24 173.73 2ker s VAL 31 N 2.72 3.03 0.11 3.43 -7.23 0.20 0.11 120.40 122.77 2ker s VAL 31 Ca 0.31 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2ker s VAL 31 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2ker s VAL 31 CO 0.09 -0.06 -0.08 0.28 -0.31 0.00 0.00 175.10 175.02 2ker s THR 32 N -1.57 0.86 0.00 5.32 -1.32 0.27 0.83 115.64 120.02 2ker s THR 32 Ca 0.23 -1.95 0.02 0.00 -1.21 0.00 0.00 61.69 58.78 2ker s THR 32 Cb -0.09 -1.70 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 2ker s THR 32 CO 0.13 -0.81 -0.08 0.68 -2.21 0.00 0.00 174.62 172.34 2ker s VAL 33 N -3.44 0.61 -0.21 5.08 -7.23 -1.26 0.55 120.40 114.50 2ker s VAL 33 Ca 0.13 -0.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.81 2ker s VAL 33 Cb 0.04 -0.54 -0.00 0.00 0.56 0.00 0.00 36.38 36.44 2ker s VAL 33 CO -0.03 0.08 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.06 2ker s GLU 34 N -0.43 3.29 0.43 4.82 -6.30 0.72 -3.99 118.70 117.24 2ker s GLU 34 Ca 0.01 -0.67 0.01 0.00 -2.50 0.00 0.00 54.97 51.82 2ker s GLU 34 Cb -0.04 -2.91 -0.00 0.00 0.00 0.00 0.00 34.13 31.17 2ker s GLU 34 CO -0.00 -0.20 0.64 0.71 0.02 0.00 0.00 175.26 176.43 2ker s TYR 35 N 1.44 3.20 0.55 5.30 1.51 -1.26 -0.91 117.35 127.18 2ker s TYR 35 Ca 0.06 0.16 0.29 0.00 -1.01 0.00 0.00 57.07 56.57 2ker s TYR 35 Cb -0.14 -2.27 1.46 0.00 -0.11 0.00 0.00 41.96 40.90 2ker s TYR 35 CO -0.05 -0.32 1.91 1.15 -1.11 0.00 0.00 175.55 177.13 2ker h THR 36 N 0.47 0.52 0.00 -0.71 2.02 -0.40 -3.39 112.91 111.43 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 1.25 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2ker h THR 36 CO 0.57 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.87 2ker n HIS 37 N -4.10 0.00 0.00 3.16 8.25 -1.26 -4.97 115.22 116.29 2ker n HIS 37 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2ker n HIS 37 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 3.73 0.00 3.77 -1.41 0.00 -1.26 -5.14 105.19 104.88 2ker n GLY 38 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.90 0.29 1.61 -1.52 -1.26 -5.01 119.66 117.67 2ker s GLN 39 Ca 0.00 1.69 -0.29 0.00 -1.95 0.00 0.00 55.36 54.81 2ker s GLN 39 Cb 0.00 -2.46 -0.09 0.00 -0.22 0.00 0.00 33.01 30.24 2ker s GLN 39 CO 0.00 -0.41 1.08 1.67 -0.25 0.00 0.00 175.29 177.37 2ker s TRP 40 N -1.58 3.60 0.00 0.91 -2.14 -1.26 -4.47 118.94 114.01 2ker s TRP 40 Ca 0.61 1.72 0.00 0.00 2.66 0.00 0.00 56.10 61.10 2ker s TRP 40 Cb -0.27 -3.23 0.00 0.00 -3.10 0.00 0.00 33.47 26.87 2ker s TRP 40 CO 0.33 -0.43 0.00 0.00 -2.66 0.00 0.00 176.95 174.18 2ker n ALA 41 N 1.11 0.00 -0.64 2.67 0.00 -1.26 -5.06 120.51 117.32 2ker n ALA 41 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2ker n ALA 41 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.36 135.00 129.35 2ker n PRO 42 Ca 0.00 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2ker n PRO 42 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.24 0.01 0.00 1.81 0.24 -4.42 118.95 116.84 2ker s ARG 44 Ca 0.00 0.69 -0.29 0.00 -1.72 0.00 0.00 55.73 54.41 2ker s ARG 44 Cb 0.00 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 2ker s ARG 44 CO 0.00 -0.20 0.94 0.54 -0.68 0.00 0.00 175.30 175.90 2ker s VAL 45 N 1.72 4.82 0.16 3.52 0.11 -1.26 0.61 120.40 130.07 2ker s VAL 45 Ca -0.06 1.98 -0.08 0.00 -2.93 0.00 0.00 61.98 60.89 2ker s VAL 45 Cb -0.10 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.40 2ker s VAL 45 CO -0.10 0.20 0.45 -0.51 -3.33 0.00 0.00 175.10 171.81 2ker s ILE 46 N 0.78 5.06 0.24 7.04 1.10 0.23 -4.90 121.20 130.75 2ker s ILE 46 Ca 0.49 0.31 -0.20 0.00 -0.51 0.00 0.00 60.65 60.74 2ker s ILE 46 Cb -0.21 -3.63 -0.09 0.00 0.15 0.00 0.00 42.46 38.68 2ker s ILE 46 CO 0.27 0.07 0.76 -1.61 -2.11 0.00 0.00 174.94 172.32 2ker s GLU 47 N -2.50 4.29 -0.89 3.50 2.02 -1.26 -2.48 118.70 121.37 2ker s GLU 47 Ca 0.41 0.93 -0.22 0.00 0.02 0.00 0.00 54.97 56.11 2ker s GLU 47 Cb -0.12 -2.84 -0.23 0.00 0.10 0.00 0.00 34.13 31.04 2ker s GLU 47 CO 0.22 0.37 2.43 -2.30 0.02 0.00 0.00 175.26 175.99 2ker n PRO 48 N 0.65 0.24 -0.32 0.39 -0.02 -1.26 0.47 135.00 135.15 2ker n PRO 48 Ca -0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2ker n PRO 48 Cb 0.51 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 6.13 0.82 1.74 -1.23 0.00 -1.04 -4.88 105.19 106.74 2ker n GLY 49 Ca 0.59 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.32 1.71 3.59 -0.02 0.00 0.18 -4.64 105.19 103.68 2ker n GLY 50 Ca 0.00 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.73 2.47 -0.09 1.61 0.52 -1.24 -1.52 118.94 119.95 2ker s TRP 51 Ca 0.28 -0.53 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 2ker s TRP 51 Cb -0.02 -1.52 0.05 0.00 -1.15 0.00 0.00 33.47 30.83 2ker s TRP 51 CO 0.18 0.51 0.15 0.00 0.02 0.00 0.00 176.95 177.81 2ker s ALA 52 N -2.61 -0.09 -0.05 0.98 0.00 -0.94 -4.76 121.76 114.29 2ker s ALA 52 Ca 0.34 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 2ker s ALA 52 Cb 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2ker s ALA 52 CO 0.18 -0.64 0.70 0.99 0.00 0.00 0.00 175.76 176.99 2ker s THR 53 N 2.27 5.02 0.02 0.00 2.01 -1.26 -3.04 115.64 120.66 2ker s THR 53 Ca 0.04 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.49 2ker s THR 53 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2ker s THR 53 CO -0.06 0.27 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.74 2ker s PHE 54 N 0.68 0.31 -0.63 4.92 0.08 -1.07 -4.95 117.98 117.32 2ker s PHE 54 Ca 0.37 -0.32 -0.26 0.00 0.12 0.00 0.00 56.93 56.85 2ker s PHE 54 Cb -0.18 -0.20 -0.11 0.00 -0.57 0.00 0.00 43.02 41.96 2ker s PHE 54 CO 0.18 -0.09 2.45 0.00 -0.10 0.00 0.00 175.22 177.66 2ker n ALA 55 N 2.17 0.65 -1.36 5.36 0.00 -1.26 -0.30 120.51 125.76 2ker n ALA 55 Ca -0.19 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.02 2ker n ALA 55 Cb 0.57 -3.08 0.17 0.00 0.00 0.00 0.00 19.45 17.11 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 11.17 1.58 -0.96 0.00 0.00 -1.09 -4.04 107.32 113.97 2ker s GLY 56 Ca 1.03 -0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.96 2ker s GLY 56 CO 0.27 0.05 1.24 -2.52 0.00 0.00 0.00 173.10 172.14 2ker s TYR 57 N -3.17 2.92 0.00 1.90 1.13 -1.26 -4.00 117.35 114.87 2ker s TYR 57 Ca 0.66 -1.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 2ker s TYR 57 Cb -0.15 -4.42 0.00 0.00 -1.10 0.00 0.00 41.96 36.29 2ker s TYR 57 CO 0.55 -1.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.36 2ker n GLY 58 N 5.95 0.05 3.76 5.49 0.00 -1.26 -4.49 105.19 114.68 2ker n GLY 58 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2ker n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ker s THR 59 N -0.48 4.60 0.00 2.61 -1.32 -1.26 -4.64 115.64 115.15 2ker s THR 59 Ca 0.00 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 2ker s THR 59 Cb 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 2ker s THR 59 CO 0.00 0.39 0.00 0.47 -2.21 0.00 0.00 174.62 173.27 2ker n ASP 60 N 1.36 0.00 0.00 8.08 9.92 -1.26 -4.67 116.55 129.98 2ker n ASP 60 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2ker n ASP 60 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ker n GLY 61 N 0.00 0.86 3.66 0.44 0.00 -1.26 -5.02 105.19 103.87 2ker n GLY 61 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -5.55 -4.68 1.61 4.13 -1.26 -4.13 115.26 105.38 2ker n ASN 62 Ca 0.00 -0.61 -0.42 0.00 1.68 0.00 0.00 54.58 55.23 2ker n ASN 62 Cb 0.00 -4.76 -0.03 0.00 -1.54 0.00 0.00 39.78 33.45 2ker n ASN 62 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2ker s TYR 63 N -3.33 2.63 0.15 3.10 5.04 -1.26 -4.54 117.35 119.14 2ker s TYR 63 Ca 0.54 0.63 -0.31 0.00 -2.44 0.00 0.00 57.07 55.49 2ker s TYR 63 Cb -0.25 -3.76 -0.10 0.00 0.35 0.00 0.00 41.96 38.21 2ker s TYR 63 CO 0.75 -2.92 1.56 0.14 -1.34 0.00 0.00 175.55 173.74 2ker s VAL 64 N 2.75 2.75 0.00 3.14 -7.23 -1.26 0.29 120.40 120.85 2ker s VAL 64 Ca 0.67 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.34 2ker s VAL 64 Cb -0.33 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2ker s VAL 64 CO 0.27 0.03 0.00 0.35 -0.31 0.00 0.00 175.10 175.45 2ker n THR 65 N 4.06 0.00 -3.72 5.32 -2.24 -0.09 -4.91 114.28 112.71 2ker n THR 65 Ca 0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 2ker n THR 65 Cb 0.39 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.24 -0.09 0.09 3.38 0.00 -1.13 -5.00 107.32 102.33 2ker s GLY 66 Ca 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.39 2ker s GLY 66 CO 0.00 1.36 0.63 1.08 0.00 0.00 0.00 173.10 176.17 2ker s LEU 67 N 1.54 4.53 0.05 0.66 1.43 -1.26 -0.20 118.68 125.42 2ker s LEU 67 Ca -0.06 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.45 2ker s LEU 67 Cb -0.11 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 2ker s LEU 67 CO -0.08 0.23 -0.14 -1.00 0.23 0.00 0.00 176.35 175.59 2ker s HIS 68 N -0.97 1.26 -0.11 0.29 3.76 0.19 -3.50 115.29 116.21 2ker s HIS 68 Ca 0.31 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 2ker s HIS 68 Cb -0.20 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 2ker s HIS 68 CO 0.21 0.05 0.97 0.99 -0.85 0.00 0.00 174.74 176.11 2ker s THR 69 N -1.02 4.81 0.45 1.30 2.01 -1.26 0.93 115.64 122.87 2ker s THR 69 Ca 0.01 1.97 -0.06 0.00 0.31 0.00 0.00 61.69 63.91 2ker s THR 69 Cb -0.09 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2ker s THR 69 CO 0.02 0.02 0.76 0.00 -0.69 0.00 0.00 174.62 174.73 2ker s ASP 71 N -3.88 0.42 0.00 0.00 -4.77 -1.26 -4.38 116.67 102.81 2ker s ASP 71 Ca 0.48 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.58 2ker s ASP 71 Cb -0.10 -0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.70 2ker s ASP 71 CO 0.41 -0.01 0.00 -2.65 0.70 0.00 0.00 175.17 173.62 2ker n PRO 72 N 2.73 0.00 -2.69 2.11 -0.01 -1.26 -4.64 135.00 131.24 2ker n PRO 72 Ca -0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.29 2ker n PRO 72 Cb 0.58 0.00 0.06 0.00 -0.01 0.00 0.00 33.50 34.13 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 0.00 -2.92 -1.83 3.55 0.00 -1.26 -5.16 120.51 112.89 2ker n ALA 73 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 2ker n ALA 73 Cb 0.00 -2.63 -0.07 0.00 0.00 0.00 0.00 19.45 16.76 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 0.42 4.40 -0.51 0.00 -4.23 -1.26 -4.93 115.64 109.54 2ker s THR 74 Ca 0.28 1.47 -0.27 0.00 -1.18 0.00 0.00 61.69 61.99 2ker s THR 74 Cb 0.19 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 2ker s THR 74 CO -0.13 -0.33 2.01 -2.16 -0.54 0.00 0.00 174.62 173.48 2ker s PRO 75 N -3.20 2.64 2.67 3.99 0.04 -1.26 -4.80 135.00 135.08 2ker s PRO 75 Ca 0.62 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2ker s PRO 75 Cb -0.09 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2ker s PRO 75 CO 0.14 -2.69 0.00 0.43 0.04 0.00 0.00 177.00 174.92 2ker n SER 76 N 13.09 -2.50 0.00 6.66 7.64 -1.26 -4.97 113.62 132.28 2ker n SER 76 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2ker n SER 76 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 3.13 0.00 0.23 0.00 -1.26 -5.15 105.19 102.13 2ker n GLY 77 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2ker n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70