#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 4.22 0.00 0.00 -4.23 -1.26 -4.95 115.64 109.42 2ker s THR 2 Ca 0.00 1.61 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 2ker s THR 2 Cb 0.00 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2ker s THR 2 CO 0.00 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2ker n GLY 3 N 3.08 3.84 3.90 3.99 0.00 -1.26 -5.16 105.19 113.58 2ker n GLY 3 Ca 0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2ker n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ker s SER 4 N 1.74 6.49 0.36 1.61 0.01 -1.26 -5.08 113.70 117.57 2ker s SER 4 Ca 0.00 0.58 -0.26 0.00 1.31 0.00 0.00 55.95 57.58 2ker s SER 4 Cb 0.00 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 2ker s SER 4 CO 0.00 0.06 1.14 -2.16 0.41 0.00 0.00 173.24 172.68 2ker s PRO 5 N -2.64 4.26 0.00 12.44 0.04 -1.26 -4.41 135.00 143.43 2ker s PRO 5 Ca 0.41 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2ker s PRO 5 Cb -0.12 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2ker s PRO 5 CO 0.25 -0.13 0.00 1.55 0.04 0.00 0.00 177.00 178.71 2ker n VAL 6 N 0.40 -1.12 0.00 -0.36 3.14 -1.26 -3.21 118.33 115.92 2ker n VAL 6 Ca 0.03 0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2ker n VAL 6 Cb 0.46 -2.44 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 2ker n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ker n ALA 7 N 2.21 0.00 0.00 1.55 0.00 -1.26 -4.18 120.51 118.83 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.88 0.00 0.10 0.00 1.02 -1.20 -4.66 120.64 115.02 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 0.00 -1.40 0.20 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.19 5.10 -0.05 0.00 0.11 -1.26 -0.89 120.40 120.22 2ker s VAL 10 Ca 0.06 0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 59.85 2ker s VAL 10 Cb 0.11 -3.67 0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2ker s VAL 10 CO 0.70 0.58 0.09 -0.70 -3.33 0.00 0.00 175.10 172.43 2ker s GLU 11 N -1.04 0.01 0.35 1.54 2.12 -0.14 -4.92 118.70 116.61 2ker s GLU 11 Ca 0.22 0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.93 2ker s GLU 11 Cb -0.16 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 2ker s GLU 11 CO 0.12 -0.21 0.50 1.52 -0.54 0.00 0.00 175.26 176.65 2ker s TYR 12 N 1.42 3.19 0.12 5.30 -0.85 -1.24 0.25 117.35 125.55 2ker s TYR 12 Ca -0.06 -0.08 -0.06 0.00 -0.52 0.00 0.00 57.07 56.35 2ker s TYR 12 Cb -0.12 -2.00 -0.02 0.00 0.38 0.00 0.00 41.96 40.20 2ker s TYR 12 CO -0.04 -0.02 0.17 0.12 -1.52 0.00 0.00 175.55 174.26 2ker s PHE 13 N -2.23 0.40 -0.17 -3.49 5.36 -0.18 -4.94 117.98 112.73 2ker s PHE 13 Ca 0.44 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2ker s PHE 13 Cb -0.10 -0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.42 2ker s PHE 13 CO 0.32 -0.58 -0.17 1.14 -1.46 0.00 0.00 175.22 174.48 2ker s GLN 14 N -3.93 3.12 0.00 10.12 0.00 -1.26 -1.30 119.66 126.41 2ker s GLN 14 Ca 0.12 -0.78 0.00 0.00 -0.00 0.00 0.00 55.36 54.70 2ker s GLN 14 Cb 0.05 -2.62 0.00 0.00 0.00 0.00 0.00 33.01 30.44 2ker s GLN 14 CO -0.05 -0.10 0.00 -1.13 0.00 0.00 0.00 175.29 174.01 2ker n SER 15 N 4.36 0.79 -4.56 12.60 3.41 -0.19 -5.00 113.62 125.03 2ker n SER 15 Ca -0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.16 2ker n SER 15 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2ker n SER 15 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2ker s TRP 16 N 1.42 1.66 -1.47 7.33 0.52 -1.26 -3.31 118.94 123.84 2ker s TRP 16 Ca 0.00 0.90 -0.04 0.00 0.02 0.00 0.00 56.10 56.98 2ker s TRP 16 Cb 0.00 -3.93 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 2ker s TRP 16 CO 0.00 -1.78 0.56 0.54 0.02 0.00 0.00 176.95 176.29 2ker n ARG 17 N 8.88 -4.55 -3.40 4.98 1.74 -1.26 -4.96 116.66 118.09 2ker n ARG 17 Ca 0.39 0.86 -0.17 0.00 -0.77 0.00 0.00 57.85 58.17 2ker n ARG 17 Cb 0.47 -5.60 -0.10 0.00 -1.02 0.00 0.00 32.46 26.22 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 -3.14 -0.48 -0.65 -1.55 6.14 -1.21 -3.77 117.35 112.70 2ker s TYR 18 Ca 0.28 -0.09 -0.21 0.00 0.64 0.00 0.00 57.07 57.69 2ker s TYR 18 Cb -0.12 -0.43 0.09 0.00 0.42 0.00 0.00 41.96 41.91 2ker s TYR 18 CO 0.34 -0.89 0.89 0.99 0.64 0.00 0.00 175.55 177.52 2ker s THR 19 N 2.37 4.52 -0.45 4.34 2.01 0.46 -1.02 115.64 127.86 2ker s THR 19 Ca 0.09 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 2ker s THR 19 Cb -0.14 -4.63 0.03 0.00 0.01 0.00 0.00 72.50 67.77 2ker s THR 19 CO -0.31 -1.35 0.95 1.51 -0.69 0.00 0.00 174.62 174.73 2ker s ASP 20 N 3.66 6.53 -0.44 3.53 -4.77 -0.42 -2.53 116.67 122.22 2ker s ASP 20 Ca 0.19 0.20 -0.14 0.00 -3.30 0.00 0.00 52.55 49.50 2ker s ASP 20 Cb -0.19 -2.46 0.06 0.00 -1.09 0.00 0.00 42.92 39.24 2ker s ASP 20 CO 0.08 -1.06 0.35 0.54 0.70 0.00 0.00 175.17 175.77 2ker s VAL 21 N 3.82 5.09 -0.40 2.11 0.11 -1.18 -1.01 120.40 128.93 2ker s VAL 21 Ca 0.38 -0.98 -0.17 0.00 -2.93 0.00 0.00 61.98 58.29 2ker s VAL 21 Cb -0.10 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2ker s VAL 21 CO 0.26 -0.48 0.41 -1.38 -3.33 0.00 0.00 175.10 170.58 2ker s HIS 22 N 1.62 3.19 0.55 1.54 -3.43 0.14 -2.17 115.29 116.73 2ker s HIS 22 Ca 0.04 -0.33 -0.14 0.00 -0.80 0.00 0.00 55.06 53.83 2ker s HIS 22 Cb -0.22 -2.81 -0.06 0.00 -1.43 0.00 0.00 32.58 28.05 2ker s HIS 22 CO 0.07 -0.63 0.99 1.21 -2.00 0.00 0.00 174.74 174.38 2ker s ASN 23 N 1.78 6.47 -0.00 7.38 2.47 -0.34 -0.97 114.94 131.72 2ker s ASN 23 Ca 0.11 1.49 0.01 0.00 0.42 0.00 0.00 52.86 54.89 2ker s ASN 23 Cb -0.17 -2.48 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 2ker s ASN 23 CO 0.13 -0.69 0.72 0.61 -3.72 0.00 0.00 177.10 174.15 2ker n GLY 24 N -2.03 -1.22 3.87 1.21 0.00 -0.07 -2.63 105.19 104.32 2ker n GLY 24 Ca 0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.72 2.09 -2.45 0.00 0.00 -1.26 -3.97 120.51 113.21 2ker n ALA 26 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2ker n ALA 26 Cb 0.54 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.84 3.42 -0.18 0.00 -4.77 -1.26 -4.76 116.67 106.28 2ker s ASP 27 Ca 0.15 -0.96 -0.29 0.00 -3.30 0.00 0.00 52.55 48.15 2ker s ASP 27 Cb 0.15 -0.26 -0.02 0.00 -1.09 0.00 0.00 42.92 41.69 2ker s ASP 27 CO 0.39 0.06 1.46 0.00 0.70 0.00 0.00 175.17 177.78 2ker s ALA 28 N -2.18 3.49 -0.04 2.11 0.00 -1.26 -4.03 121.76 119.85 2ker s ALA 28 Ca 0.25 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.78 2ker s ALA 28 Cb -0.06 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2ker s ALA 28 CO 0.12 -1.55 -0.20 0.14 0.00 0.00 0.00 175.76 174.27 2ker s VAL 29 N 4.27 2.59 -0.31 0.00 -7.23 -1.00 -4.81 120.40 113.90 2ker s VAL 29 Ca 0.64 -0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 59.70 2ker s VAL 29 Cb -0.24 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 2ker s VAL 29 CO 0.24 0.58 0.69 -0.44 -0.31 0.00 0.00 175.10 175.86 2ker s SER 30 N -0.60 6.55 0.33 4.85 0.01 -1.26 0.84 113.70 124.42 2ker s SER 30 Ca 0.09 0.48 0.09 0.00 1.31 0.00 0.00 55.95 57.91 2ker s SER 30 Cb -0.11 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2ker s SER 30 CO 0.00 -0.55 0.09 0.68 0.41 0.00 0.00 173.24 173.87 2ker s VAL 31 N 2.76 3.01 0.03 3.43 -7.23 0.17 0.12 120.40 122.69 2ker s VAL 31 Ca 0.28 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2ker s VAL 31 Cb -0.14 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2ker s VAL 31 CO 0.13 -0.22 0.22 0.28 -0.31 0.00 0.00 175.10 175.20 2ker s THR 32 N -2.43 0.10 -0.02 5.32 -1.32 0.13 0.77 115.64 118.19 2ker s THR 32 Ca 0.36 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 60.09 2ker s THR 32 Cb -0.03 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2ker s THR 32 CO 0.21 -0.43 -0.12 0.68 -2.21 0.00 0.00 174.62 172.75 2ker s VAL 33 N -2.29 1.00 -0.32 5.08 -7.23 -1.26 0.37 120.40 115.75 2ker s VAL 33 Ca -0.07 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 2ker s VAL 33 Cb -0.02 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 2ker s VAL 33 CO -0.02 0.29 0.22 -0.70 -0.31 0.00 0.00 175.10 174.57 2ker s GLU 34 N -0.06 3.59 0.41 4.82 2.56 0.16 -4.11 118.70 126.07 2ker s GLU 34 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 54.97 54.39 2ker s GLU 34 Cb -0.07 -3.74 -0.03 0.00 2.00 0.00 0.00 34.13 32.29 2ker s GLU 34 CO 0.00 -0.37 0.65 0.71 -0.56 0.00 0.00 175.26 175.69 2ker s TYR 35 N 1.72 3.47 0.47 5.30 1.51 -1.26 -0.09 117.35 128.47 2ker s TYR 35 Ca 0.06 0.48 0.28 0.00 -1.01 0.00 0.00 57.07 56.88 2ker s TYR 35 Cb -0.17 -2.11 1.33 0.00 -0.11 0.00 0.00 41.96 40.91 2ker s TYR 35 CO 0.10 -0.10 1.79 1.15 -1.11 0.00 0.00 175.55 177.38 2ker h THR 36 N 0.51 0.46 0.00 -0.71 2.02 -0.40 -3.33 112.91 111.46 2ker h THR 36 Ca -0.48 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2ker h THR 36 Cb 1.22 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2ker h THR 36 CO 0.61 0.03 -0.02 1.41 0.37 0.00 0.00 175.52 177.93 2ker n HIS 37 N -4.41 0.00 0.00 3.16 8.25 -1.26 -4.95 115.22 116.00 2ker n HIS 37 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2ker n HIS 37 Cb 1.06 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.17 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 2.52 -0.58 3.72 -1.41 0.00 -1.25 -5.15 105.19 103.05 2ker n GLY 38 Ca -0.00 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 2.14 -0.53 1.61 -1.52 -1.26 -4.92 119.66 115.18 2ker s GLN 39 Ca 0.00 1.70 -0.28 0.00 -1.95 0.00 0.00 55.36 54.83 2ker s GLN 39 Cb 0.00 -1.84 0.01 0.00 -0.22 0.00 0.00 33.01 30.96 2ker s GLN 39 CO 0.00 -1.82 1.39 -0.46 -0.25 0.00 0.00 175.29 174.15 2ker s TRP 40 N -2.07 2.36 0.00 0.91 -0.11 -1.26 -4.27 118.94 114.49 2ker s TRP 40 Ca 0.73 0.53 0.00 0.00 1.22 0.00 0.00 56.10 58.57 2ker s TRP 40 Cb -0.28 -4.39 0.00 0.00 -1.50 0.00 0.00 33.47 27.31 2ker s TRP 40 CO 0.46 -1.91 0.00 0.00 -4.62 0.00 0.00 176.95 170.87 2ker n ALA 41 N 9.26 0.00 -0.70 5.86 0.00 -1.26 -5.07 120.51 128.60 2ker n ALA 41 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2ker n ALA 41 Cb 0.49 0.00 -0.03 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 -0.90 0.00 0.00 0.00 -0.04 -1.26 -4.39 135.00 128.41 2ker n PRO 42 Ca 0.00 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2ker n PRO 42 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.38 0.06 0.00 1.81 0.23 -4.27 118.95 117.17 2ker s ARG 44 Ca 0.00 0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 54.58 2ker s ARG 44 Cb 0.00 0.08 -0.05 0.00 -0.45 0.00 0.00 34.95 34.53 2ker s ARG 44 CO 0.00 -0.19 0.95 0.54 -0.68 0.00 0.00 175.30 175.93 2ker s VAL 45 N 1.76 4.66 0.09 3.52 0.11 -1.26 0.45 120.40 129.73 2ker s VAL 45 Ca -0.07 2.03 -0.06 0.00 -2.93 0.00 0.00 61.98 60.95 2ker s VAL 45 Cb -0.09 -4.31 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 2ker s VAL 45 CO -0.13 0.26 0.34 -0.51 -3.33 0.00 0.00 175.10 171.73 2ker s ILE 46 N 0.38 5.20 0.19 7.04 1.10 0.25 -4.90 121.20 130.45 2ker s ILE 46 Ca 0.48 0.12 -0.24 0.00 -0.51 0.00 0.00 60.65 60.50 2ker s ILE 46 Cb -0.22 -3.61 -0.08 0.00 0.15 0.00 0.00 42.46 38.69 2ker s ILE 46 CO 0.29 0.18 0.78 -1.61 -2.11 0.00 0.00 174.94 172.47 2ker s GLU 47 N -2.26 4.50 -0.86 3.50 2.02 -1.26 -2.38 118.70 121.95 2ker s GLU 47 Ca 0.36 1.11 -0.22 0.00 0.02 0.00 0.00 54.97 56.24 2ker s GLU 47 Cb -0.13 -3.13 -0.22 0.00 0.10 0.00 0.00 34.13 30.75 2ker s GLU 47 CO 0.21 0.51 2.41 -2.30 0.02 0.00 0.00 175.26 176.10 2ker n PRO 48 N 1.30 0.31 -0.11 0.39 -0.02 -1.26 0.52 135.00 136.12 2ker n PRO 48 Ca -0.04 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2ker n PRO 48 Cb 0.49 -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 6.15 0.94 0.88 -1.23 0.00 -1.08 -4.92 105.19 105.93 2ker n GLY 49 Ca 0.57 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.11 2.22 3.56 -0.02 0.00 0.18 -4.70 105.19 104.32 2ker n GLY 50 Ca 0.00 -2.16 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.03 2.43 -0.16 1.61 0.52 -1.25 -1.20 118.94 120.87 2ker s TRP 51 Ca 0.12 -0.51 -0.05 0.00 0.02 0.00 0.00 56.10 55.68 2ker s TRP 51 Cb -0.01 -1.44 0.06 0.00 -1.15 0.00 0.00 33.47 30.93 2ker s TRP 51 CO 0.08 0.56 0.08 0.00 0.02 0.00 0.00 176.95 177.69 2ker s ALA 52 N -2.61 0.43 -0.06 0.98 0.00 -0.92 -4.76 121.76 114.82 2ker s ALA 52 Ca 0.33 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2ker s ALA 52 Cb 0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2ker s ALA 52 CO 0.17 -1.09 1.05 0.99 0.00 0.00 0.00 175.76 176.88 2ker s THR 53 N 2.13 4.65 0.03 0.00 2.01 -1.26 -3.12 115.64 120.08 2ker s THR 53 Ca 0.02 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.97 2ker s THR 53 Cb -0.16 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2ker s THR 53 CO -0.08 0.05 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.45 2ker s PHE 54 N 1.75 0.76 -0.46 4.92 0.08 -1.05 -4.95 117.98 119.02 2ker s PHE 54 Ca 0.51 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.93 2ker s PHE 54 Cb -0.21 -0.46 -0.08 0.00 -0.57 0.00 0.00 43.02 41.71 2ker s PHE 54 CO 0.22 -0.03 2.39 0.00 -0.10 0.00 0.00 175.22 177.69 2ker n ALA 55 N 1.95 0.97 -0.88 5.36 0.00 -1.26 -0.40 120.51 126.24 2ker n ALA 55 Ca -0.19 -0.71 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 2ker n ALA 55 Cb 0.56 -3.05 0.26 0.00 0.00 0.00 0.00 19.45 17.21 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 10.97 1.54 -0.70 0.00 0.00 -1.25 -4.19 107.32 113.70 2ker s GLY 56 Ca 1.02 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 2ker s GLY 56 CO 0.31 -0.05 1.27 -2.52 0.00 0.00 0.00 173.10 172.11 2ker s TYR 57 N -2.82 2.34 1.02 1.90 1.13 -1.22 -4.65 117.35 115.06 2ker s TYR 57 Ca 0.71 0.07 -0.14 0.00 -1.41 0.00 0.00 57.07 56.30 2ker s TYR 57 Cb -0.09 -4.59 0.20 0.00 -1.10 0.00 0.00 41.96 36.38 2ker s TYR 57 CO 0.56 -1.98 1.13 0.20 -2.51 0.00 0.00 175.55 172.95 2ker s GLY 58 N 3.66 1.59 0.55 5.49 0.00 -1.23 -4.74 107.32 112.63 2ker s GLY 58 Ca 0.37 -0.63 0.23 0.00 0.00 0.00 0.00 44.72 44.70 2ker s GLY 58 CO 0.17 0.05 2.15 -0.84 0.00 0.00 0.00 173.10 174.63 2ker h THR 59 N -1.94 0.74 -2.06 0.90 2.02 -1.95 -3.37 112.91 107.25 2ker h THR 59 Ca -0.50 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.45 2ker h THR 59 Cb 1.32 0.93 -0.32 0.00 -1.74 0.00 0.00 68.15 68.34 2ker h THR 59 CO 0.52 0.00 -0.55 -0.62 0.37 0.00 0.00 175.52 175.24 2ker s ASP 60 N -6.47 0.79 0.00 4.18 2.15 -1.26 -5.11 116.67 110.96 2ker s ASP 60 Ca -0.05 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2ker s ASP 60 Cb 0.17 0.83 0.00 0.00 -0.30 0.00 0.00 42.92 43.62 2ker s ASP 60 CO 0.62 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.90 2ker n GLY 61 N 5.34 -0.62 3.91 2.66 0.00 -1.26 -5.15 105.19 110.08 2ker n GLY 61 Ca -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.00 5.88 -0.07 1.61 0.02 -1.26 -4.79 114.94 112.33 2ker s ASN 62 Ca 0.00 -0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 51.68 2ker s ASN 62 Cb 0.00 -1.50 0.03 0.00 0.02 0.00 0.00 41.25 39.79 2ker s ASN 62 CO 0.00 -0.15 0.00 -0.47 0.02 0.00 0.00 177.10 176.50 2ker s TYR 63 N -2.10 0.64 0.19 2.20 5.04 -1.26 -3.38 117.35 118.68 2ker s TYR 63 Ca 0.36 -0.15 -0.31 0.00 -2.44 0.00 0.00 57.07 54.53 2ker s TYR 63 Cb -0.08 -0.79 -0.11 0.00 0.35 0.00 0.00 41.96 41.34 2ker s TYR 63 CO 0.28 -0.32 1.59 0.14 -1.34 0.00 0.00 175.55 175.90 2ker s VAL 64 N 1.98 2.45 0.00 3.14 -7.23 -1.26 0.39 120.40 119.88 2ker s VAL 64 Ca 0.05 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2ker s VAL 64 Cb -0.12 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2ker s VAL 64 CO -0.05 0.03 0.00 0.35 -0.31 0.00 0.00 175.10 175.12 2ker n THR 65 N 3.72 0.00 -3.75 5.32 -2.24 0.88 -4.89 114.28 113.31 2ker n THR 65 Ca 0.13 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 2ker n THR 65 Cb 0.38 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.54 -0.07 0.12 3.38 0.00 -1.12 -4.98 107.32 103.11 2ker s GLY 66 Ca 0.00 0.75 -0.07 0.00 0.00 0.00 0.00 44.72 45.40 2ker s GLY 66 CO 0.00 1.03 0.39 1.08 0.00 0.00 0.00 173.10 175.60 2ker s LEU 67 N 1.13 4.29 0.16 0.66 1.43 -1.26 0.39 118.68 125.47 2ker s LEU 67 Ca -0.09 0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 2ker s LEU 67 Cb -0.11 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2ker s LEU 67 CO -0.06 0.10 0.29 -1.00 0.23 0.00 0.00 176.35 175.90 2ker s HIS 68 N -1.56 0.34 -0.05 0.29 3.76 0.16 -4.43 115.29 113.79 2ker s HIS 68 Ca 0.38 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 54.32 2ker s HIS 68 Cb -0.13 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 2ker s HIS 68 CO 0.22 -0.71 0.84 0.95 -0.85 0.00 0.00 174.74 175.18 2ker s THR 69 N -3.95 4.95 0.42 1.30 -4.23 -1.26 0.21 115.64 113.08 2ker s THR 69 Ca 0.15 1.73 0.06 0.00 -1.18 0.00 0.00 61.69 62.45 2ker s THR 69 Cb 0.03 -4.17 0.01 0.00 1.34 0.00 0.00 72.50 69.71 2ker s THR 69 CO -0.02 0.18 0.59 0.00 -0.54 0.00 0.00 174.62 174.84 2ker s ASP 71 N -4.31 0.90 0.00 0.00 -4.77 -1.26 -4.36 116.67 102.87 2ker s ASP 71 Ca 0.52 -0.25 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 2ker s ASP 71 Cb -0.10 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 2ker s ASP 71 CO 0.34 0.02 0.00 -2.65 0.70 0.00 0.00 175.17 173.57 2ker n PRO 72 N 2.49 0.00 -2.89 2.11 -0.01 -1.26 -4.75 135.00 130.69 2ker n PRO 72 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.31 2ker n PRO 72 Cb 0.57 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 34.06 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 -2.73 0.26 3.55 0.00 -1.26 -5.15 121.76 116.42 2ker s ALA 73 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2ker s ALA 73 Cb 0.00 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 2ker s ALA 73 CO 0.00 -2.30 0.94 -0.08 0.00 0.00 0.00 175.76 174.32 2ker s THR 74 N 1.28 4.11 0.84 0.00 -1.32 -1.26 -4.83 115.64 114.47 2ker s THR 74 Ca 0.23 2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 62.61 2ker s THR 74 Cb 0.01 -4.25 0.09 0.00 -1.51 0.00 0.00 72.50 66.85 2ker s THR 74 CO -0.07 0.41 1.10 -2.16 -2.21 0.00 0.00 174.62 171.69 2ker s PRO 75 N -1.40 1.74 0.15 7.08 0.04 -1.26 -5.02 135.00 136.33 2ker s PRO 75 Ca 0.43 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2ker s PRO 75 Cb -0.24 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2ker s PRO 75 CO 0.30 -1.85 1.00 -1.12 0.04 0.00 0.00 177.00 175.37 2ker s SER 76 N -3.86 7.44 -0.09 6.66 0.01 -1.26 -4.99 113.70 117.61 2ker s SER 76 Ca 0.62 1.91 -0.06 0.00 1.31 0.00 0.00 55.95 59.72 2ker s SER 76 Cb -0.15 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2ker s SER 76 CO 0.54 -0.09 -0.12 0.61 0.41 0.00 0.00 173.24 174.59 2ker n GLY 77 N 2.09 -0.78 0.00 3.44 0.00 -1.26 -5.09 105.19 103.59 2ker n GLY 77 Ca 0.02 -0.12 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 -0.62 0.00 0.00 0.00 173.32 172.70