#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 0.38 0.00 0.00 1.03 -2.05 -3.48 112.91 108.79 2ker h THR 2 Ca 0.00 -1.55 0.00 0.00 -0.01 0.00 0.00 66.41 64.85 2ker h THR 2 Cb 0.00 2.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 2ker h THR 2 CO 0.00 0.22 0.00 0.61 -0.01 0.00 0.00 175.52 176.34 2ker n GLY 3 N 1.17 4.17 2.02 2.99 0.00 -1.26 -4.75 105.19 109.52 2ker n GLY 3 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -0.43 -4.69 1.61 2.88 -1.26 -4.80 113.62 106.94 2ker n SER 4 Ca 0.00 0.24 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 2ker n SER 4 Cb 0.00 0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.00 4.38 -0.00 -1.46 0.04 -1.26 -4.61 135.00 130.08 2ker s PRO 5 Ca 0.00 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 2ker s PRO 5 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2ker s PRO 5 CO 0.00 -0.40 0.01 1.55 0.04 0.00 0.00 177.00 178.19 2ker n VAL 6 N 4.63 -1.15 0.00 -0.36 3.14 -1.26 -3.73 118.33 119.61 2ker n VAL 6 Ca 0.10 0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 2ker n VAL 6 Cb 0.47 -2.14 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 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 2.18 0.00 0.00 1.55 0.00 -1.26 -4.22 120.51 118.76 2ker n ALA 7 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ker n ALA 7 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.71 0.00 0.06 0.00 1.02 -1.24 -4.58 120.64 114.19 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 0.00 -0.06 0.48 0.00 -0.02 0.00 0.00 31.44 31.84 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 -3.09 5.09 -0.16 0.00 -7.23 -1.26 -0.21 120.40 113.54 2ker s VAL 10 Ca 0.11 1.04 -0.02 0.00 -1.81 0.00 0.00 61.98 61.30 2ker s VAL 10 Cb 0.14 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 33.28 2ker s VAL 10 CO 0.52 0.37 0.01 -0.70 -0.31 0.00 0.00 175.10 174.99 2ker s GLU 11 N 0.23 0.79 0.47 4.82 2.12 0.33 -4.91 118.70 122.55 2ker s GLU 11 Ca 0.28 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 2ker s GLU 11 Cb -0.16 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.34 2ker s GLU 11 CO 0.13 -0.53 0.74 1.52 -0.54 0.00 0.00 175.26 176.57 2ker s TYR 12 N 1.84 3.46 -0.04 5.30 -0.85 -1.24 0.14 117.35 125.96 2ker s TYR 12 Ca 0.00 0.62 -0.03 0.00 -0.52 0.00 0.00 57.07 57.14 2ker s TYR 12 Cb -0.16 -2.29 0.01 0.00 0.38 0.00 0.00 41.96 39.90 2ker s TYR 12 CO -0.07 -0.29 0.10 0.12 -1.52 0.00 0.00 175.55 173.88 2ker s PHE 13 N -2.67 -0.11 -0.62 -3.49 5.36 -0.11 -4.91 117.98 111.43 2ker s PHE 13 Ca 0.47 0.26 -0.17 0.00 -0.96 0.00 0.00 56.93 56.53 2ker s PHE 13 Cb -0.10 0.03 0.13 0.00 -0.34 0.00 0.00 43.02 42.74 2ker s PHE 13 CO 0.42 -0.05 0.66 1.14 -1.46 0.00 0.00 175.22 175.93 2ker s GLN 14 N 0.07 3.12 0.00 10.12 0.00 -1.26 -1.34 119.66 130.36 2ker s GLN 14 Ca -0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 55.36 53.73 2ker s GLN 14 Cb -0.01 -4.33 0.00 0.00 0.00 0.00 0.00 33.01 28.67 2ker s GLN 14 CO 0.00 -1.45 0.00 -1.13 0.00 0.00 0.00 175.29 172.71 2ker n SER 15 N 5.66 0.00 -4.56 12.60 3.41 -0.22 -4.96 113.62 125.55 2ker n SER 15 Ca -0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 2ker n SER 15 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 2.26 1.77 -1.49 7.33 0.52 -1.26 -3.33 118.94 124.74 2ker s TRP 16 Ca 0.00 0.67 -0.02 0.00 0.02 0.00 0.00 56.10 56.77 2ker s TRP 16 Cb 0.00 -4.07 0.00 0.00 -1.15 0.00 0.00 33.47 28.26 2ker s TRP 16 CO 0.00 -1.93 0.28 0.54 0.02 0.00 0.00 176.95 175.86 2ker n ARG 17 N 8.96 -2.96 -3.43 4.98 1.74 -1.26 -4.96 116.66 119.74 2ker n ARG 17 Ca 0.34 0.86 -0.18 0.00 -0.77 0.00 0.00 57.85 58.09 2ker n ARG 17 Cb 0.49 -5.45 -0.11 0.00 -1.02 0.00 0.00 32.46 26.37 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 -3.02 -0.38 -0.88 -1.55 6.14 -1.21 -3.68 117.35 112.77 2ker s TYR 18 Ca 0.14 -0.07 -0.19 0.00 0.64 0.00 0.00 57.07 57.59 2ker s TYR 18 Cb -0.06 -0.44 0.13 0.00 0.42 0.00 0.00 41.96 42.01 2ker s TYR 18 CO 0.17 -0.83 1.07 0.99 0.64 0.00 0.00 175.55 177.59 2ker s THR 19 N 2.35 4.73 -0.49 4.34 2.01 0.90 -1.06 115.64 128.43 2ker s THR 19 Ca 0.09 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.36 2ker s THR 19 Cb -0.15 -4.74 0.03 0.00 0.01 0.00 0.00 72.50 67.65 2ker s THR 19 CO -0.27 -1.46 1.01 1.51 -0.69 0.00 0.00 174.62 174.72 2ker s ASP 20 N 3.56 6.51 -0.46 3.53 -4.77 -0.45 -2.44 116.67 122.15 2ker s ASP 20 Ca 0.30 0.15 -0.16 0.00 -3.30 0.00 0.00 52.55 49.53 2ker s ASP 20 Cb -0.07 -2.49 0.05 0.00 -1.09 0.00 0.00 42.92 39.32 2ker s ASP 20 CO -0.07 -1.17 0.43 0.54 0.70 0.00 0.00 175.17 175.60 2ker s VAL 21 N 4.10 5.14 -0.40 2.11 0.11 -1.17 -0.93 120.40 129.36 2ker s VAL 21 Ca 0.40 -0.73 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 2ker s VAL 21 Cb -0.09 -4.10 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 2ker s VAL 21 CO 0.27 -0.53 0.35 -1.38 -3.33 0.00 0.00 175.10 170.48 2ker s HIS 22 N 1.93 3.21 0.39 1.54 -3.43 0.12 -2.15 115.29 116.90 2ker s HIS 22 Ca 0.08 -0.42 -0.23 0.00 -0.80 0.00 0.00 55.06 53.68 2ker s HIS 22 Cb -0.21 -2.70 -0.10 0.00 -1.43 0.00 0.00 32.58 28.14 2ker s HIS 22 CO 0.10 -0.59 0.96 1.21 -2.00 0.00 0.00 174.74 174.41 2ker s ASN 23 N 1.74 7.06 -0.03 7.38 2.47 -0.55 -0.52 114.94 132.49 2ker s ASN 23 Ca 0.08 1.79 0.04 0.00 0.42 0.00 0.00 52.86 55.19 2ker s ASN 23 Cb -0.18 -2.56 0.06 0.00 -1.45 0.00 0.00 41.25 37.12 2ker s ASN 23 CO 0.12 -0.27 0.89 0.61 -3.72 0.00 0.00 177.10 174.72 2ker n GLY 24 N -0.07 1.19 3.86 1.21 0.00 0.70 -1.88 105.19 110.20 2ker n GLY 24 Ca 0.05 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.44 1.83 -2.43 0.00 0.00 -1.26 -4.22 120.51 112.99 2ker n ALA 26 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2ker n ALA 26 Cb 0.54 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.34 2.75 0.02 0.00 -4.77 -1.26 -4.76 116.67 105.31 2ker s ASP 27 Ca 0.08 -0.91 -0.30 0.00 -3.30 0.00 0.00 52.55 48.11 2ker s ASP 27 Cb 0.11 -0.17 -0.06 0.00 -1.09 0.00 0.00 42.92 41.71 2ker s ASP 27 CO 0.36 -0.06 1.51 0.00 0.70 0.00 0.00 175.17 177.68 2ker s ALA 28 N -2.30 3.62 -0.03 2.11 0.00 -1.26 -4.21 121.76 119.69 2ker s ALA 28 Ca 0.19 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.20 2ker s ALA 28 Cb -0.04 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2ker s ALA 28 CO 0.07 -1.02 -0.20 0.14 0.00 0.00 0.00 175.76 174.75 2ker s VAL 29 N 2.61 1.63 -0.24 0.00 -7.23 -0.99 -4.88 120.40 111.28 2ker s VAL 29 Ca 0.68 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.76 2ker s VAL 29 Cb -0.34 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 2ker s VAL 29 CO 0.29 0.46 0.74 -0.44 -0.31 0.00 0.00 175.10 175.84 2ker s SER 30 N -0.32 6.73 0.35 4.85 0.01 -1.26 0.72 113.70 124.77 2ker s SER 30 Ca 0.04 0.90 0.09 0.00 1.31 0.00 0.00 55.95 58.28 2ker s SER 30 Cb -0.09 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2ker s SER 30 CO 0.00 -0.45 0.04 0.68 0.41 0.00 0.00 173.24 173.93 2ker s VAL 31 N 2.67 2.63 0.09 3.43 -7.23 0.13 0.11 120.40 122.22 2ker s VAL 31 Ca 0.31 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2ker s VAL 31 Cb -0.15 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 2ker s VAL 31 CO 0.08 -0.17 0.19 0.28 -0.31 0.00 0.00 175.10 175.17 2ker s THR 32 N -2.52 0.14 0.02 5.32 -1.32 0.17 0.10 115.64 117.56 2ker s THR 32 Ca 0.36 -1.17 0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2ker s THR 32 Cb 0.00 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 2ker s THR 32 CO 0.20 -0.64 -0.07 0.68 -2.21 0.00 0.00 174.62 172.57 2ker s VAL 33 N -3.80 0.53 -0.24 5.08 -7.23 -1.26 0.58 120.40 114.06 2ker s VAL 33 Ca 0.04 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2ker s VAL 33 Cb 0.05 -0.52 0.04 0.00 0.56 0.00 0.00 36.38 36.51 2ker s VAL 33 CO -0.11 -0.09 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.80 2ker s GLU 34 N -0.80 2.66 0.37 4.82 -6.30 0.10 -4.15 118.70 115.40 2ker s GLU 34 Ca -0.03 -1.08 -0.01 0.00 -2.50 0.00 0.00 54.97 51.36 2ker s GLU 34 Cb -0.06 -2.90 -0.03 0.00 0.00 0.00 0.00 34.13 31.14 2ker s GLU 34 CO 0.00 -0.43 0.59 0.71 0.02 0.00 0.00 175.26 176.15 2ker s TYR 35 N 1.25 3.51 0.25 5.30 1.51 -1.26 -0.78 117.35 127.13 2ker s TYR 35 Ca -0.02 0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 2ker s TYR 35 Cb -0.17 -1.97 0.48 0.00 -0.11 0.00 0.00 41.96 40.18 2ker s TYR 35 CO -0.06 0.06 1.72 1.15 -1.11 0.00 0.00 175.55 177.30 2ker h THR 36 N 0.69 0.61 0.00 -0.71 2.02 -0.52 -3.36 112.91 111.64 2ker h THR 36 Ca -0.49 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2ker h THR 36 Cb 1.21 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2ker h THR 36 CO 0.62 0.07 0.00 1.41 0.37 0.00 0.00 175.52 177.99 2ker n HIS 37 N -5.04 0.00 0.00 3.16 8.25 -1.26 -4.95 115.22 115.37 2ker n HIS 37 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2ker n HIS 37 Cb 0.44 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.86 0.00 3.77 -1.41 0.00 -1.26 -5.14 105.19 103.00 2ker n GLY 38 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.18 -0.50 1.61 -1.52 -1.26 -4.97 119.66 116.19 2ker s GLN 39 Ca 0.00 1.68 -0.27 0.00 -1.95 0.00 0.00 55.36 54.82 2ker s GLN 39 Cb 0.00 -1.97 0.03 0.00 -0.22 0.00 0.00 33.01 30.85 2ker s GLN 39 CO 0.00 -1.01 1.04 -0.46 -0.25 0.00 0.00 175.29 174.61 2ker s TRP 40 N -1.74 2.82 0.00 0.91 -0.11 -1.26 -4.68 118.94 114.87 2ker s TRP 40 Ca 0.74 0.43 0.00 0.00 1.22 0.00 0.00 56.10 58.49 2ker s TRP 40 Cb -0.26 -4.22 0.00 0.00 -1.50 0.00 0.00 33.47 27.49 2ker s TRP 40 CO 0.30 -1.27 0.34 0.00 -4.62 0.00 0.00 176.95 171.70 2ker n ALA 41 N 7.62 0.68 -1.89 5.86 0.00 -1.26 -5.06 120.51 126.46 2ker n ALA 41 Ca 0.08 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 2ker n ALA 41 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 3.99 0.00 0.00 -0.05 -1.26 -4.16 135.00 133.53 2ker n PRO 42 Ca -0.08 -3.23 0.00 0.00 -0.05 0.00 0.00 63.50 60.15 2ker n PRO 42 Cb 0.35 -2.47 0.00 0.00 -0.05 0.00 0.00 33.50 31.33 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 0.61 0.16 0.00 3.00 0.29 -4.20 118.95 118.80 2ker s ARG 44 Ca 0.00 1.31 -0.26 0.00 -1.00 0.00 0.00 55.73 55.77 2ker s ARG 44 Cb 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 34.95 35.41 2ker s ARG 44 CO 0.00 -0.17 0.82 0.54 0.00 0.00 0.00 175.30 176.49 2ker s VAL 45 N 2.31 4.38 0.03 7.11 0.11 -1.26 0.22 120.40 133.30 2ker s VAL 45 Ca -0.08 1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 60.76 2ker s VAL 45 Cb -0.09 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2ker s VAL 45 CO -0.19 0.48 0.18 -0.51 -3.33 0.00 0.00 175.10 171.73 2ker s ILE 46 N -0.90 5.27 0.11 7.04 1.10 0.22 -4.91 121.20 129.13 2ker s ILE 46 Ca 0.38 -0.35 -0.15 0.00 -0.51 0.00 0.00 60.65 60.02 2ker s ILE 46 Cb -0.23 -3.52 -0.07 0.00 0.15 0.00 0.00 42.46 38.79 2ker s ILE 46 CO 0.27 0.22 0.53 -1.61 -2.11 0.00 0.00 174.94 172.24 2ker s GLU 47 N -2.24 4.01 -0.90 3.50 2.02 -1.26 -2.36 118.70 121.47 2ker s GLU 47 Ca 0.31 0.52 -0.20 0.00 0.02 0.00 0.00 54.97 55.61 2ker s GLU 47 Cb -0.13 -3.04 -0.24 0.00 0.10 0.00 0.00 34.13 30.83 2ker s GLU 47 CO 0.23 0.55 2.38 -2.30 0.02 0.00 0.00 175.26 176.14 2ker n PRO 48 N 1.13 0.23 0.00 0.39 -0.02 -1.26 0.71 135.00 136.18 2ker n PRO 48 Ca -0.08 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2ker n PRO 48 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 6.08 1.06 2.74 -1.23 0.00 -0.79 -4.95 105.19 108.11 2ker n GLY 49 Ca 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.78 1.79 3.59 -0.02 0.00 0.22 -4.72 105.19 104.26 2ker n GLY 50 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.60 2.46 -0.19 1.61 0.52 -1.25 -1.49 118.94 119.01 2ker s TRP 51 Ca 0.43 -0.55 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 2ker s TRP 51 Cb -0.03 -1.54 0.08 0.00 -1.15 0.00 0.00 33.47 30.83 2ker s TRP 51 CO 0.28 0.52 0.18 0.00 0.02 0.00 0.00 176.95 177.94 2ker s ALA 52 N -2.63 -0.05 0.03 0.98 0.00 -0.91 -4.83 121.76 114.35 2ker s ALA 52 Ca 0.34 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 2ker s ALA 52 Cb 0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2ker s ALA 52 CO 0.18 -1.19 1.00 0.99 0.00 0.00 0.00 175.76 176.73 2ker s THR 53 N 2.27 4.70 0.00 0.00 2.01 -1.26 -3.03 115.64 120.33 2ker s THR 53 Ca 0.05 2.00 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 2ker s THR 53 Cb -0.16 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 2ker s THR 53 CO -0.11 0.19 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.65 2ker s PHE 54 N 0.78 0.07 -0.51 4.92 0.08 -1.02 -4.95 117.98 117.34 2ker s PHE 54 Ca 0.51 -0.14 -0.28 0.00 0.12 0.00 0.00 56.93 57.14 2ker s PHE 54 Cb -0.22 -0.05 -0.09 0.00 -0.57 0.00 0.00 43.02 42.08 2ker s PHE 54 CO 0.29 -0.06 2.41 0.00 -0.10 0.00 0.00 175.22 177.76 2ker n ALA 55 N 2.66 0.90 -0.97 5.36 0.00 -1.26 -0.07 120.51 127.13 2ker n ALA 55 Ca -0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2ker n ALA 55 Cb 0.59 -2.95 0.16 0.00 0.00 0.00 0.00 19.45 17.25 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 6.12 -2.82 3.48 0.00 0.00 -1.24 -4.14 105.19 106.59 2ker n GLY 56 Ca 0.41 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 2ker n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ker s TYR 57 N -2.19 2.76 0.60 1.61 1.13 -1.22 -4.52 117.35 115.52 2ker s TYR 57 Ca 0.45 -0.85 -0.01 0.00 -1.41 0.00 0.00 57.07 55.24 2ker s TYR 57 Cb -0.05 -4.40 0.04 0.00 -1.10 0.00 0.00 41.96 36.45 2ker s TYR 57 CO 0.35 -1.69 0.86 0.20 -2.51 0.00 0.00 175.55 172.75 2ker s GLY 58 N 3.92 1.78 -0.15 5.49 0.00 -1.25 -4.69 107.32 112.41 2ker s GLY 58 Ca 0.32 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 2ker s GLY 58 CO -0.00 -0.86 1.92 -1.59 0.00 0.00 0.00 173.10 172.57 2ker s THR 59 N -2.93 3.27 -0.67 0.90 2.01 -1.26 -2.73 115.64 114.23 2ker s THR 59 Ca 0.58 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.86 2ker s THR 59 Cb -0.10 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2ker s THR 59 CO 0.41 -0.12 0.60 -0.67 -0.69 0.00 0.00 174.62 174.14 2ker n ASP 60 N 9.38 -5.58 0.00 3.53 2.03 -1.26 -5.04 116.55 119.61 2ker n ASP 60 Ca 0.23 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2ker n ASP 60 Cb 0.44 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.92 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ker n GLY 61 N -1.39 4.51 3.95 0.27 0.00 -1.10 -5.17 105.19 106.25 2ker n GLY 61 Ca -0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 1.50 4.75 -0.15 1.61 0.02 -1.26 -4.77 114.94 116.63 2ker s ASN 62 Ca 0.00 -1.16 -0.05 0.00 -1.02 0.00 0.00 52.86 50.63 2ker s ASN 62 Cb 0.00 0.47 0.08 0.00 0.02 0.00 0.00 41.25 41.82 2ker s ASN 62 CO 0.00 -1.23 0.29 -0.47 0.02 0.00 0.00 177.10 175.71 2ker s TYR 63 N -2.77 -0.49 0.23 2.20 5.04 -1.26 -3.42 117.35 116.88 2ker s TYR 63 Ca 0.42 0.98 -0.31 0.00 -2.44 0.00 0.00 57.07 55.72 2ker s TYR 63 Cb -0.03 -0.01 -0.10 0.00 0.35 0.00 0.00 41.96 42.16 2ker s TYR 63 CO 0.27 -0.42 1.54 0.14 -1.34 0.00 0.00 175.55 175.74 2ker s VAL 64 N 2.45 2.47 -0.02 3.14 -7.23 -1.26 0.28 120.40 120.23 2ker s VAL 64 Ca 0.02 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2ker s VAL 64 Cb -0.13 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.56 2ker s VAL 64 CO -0.10 0.05 -0.02 0.35 -0.31 0.00 0.00 175.10 175.07 2ker n THR 65 N 2.97 0.11 -4.07 5.32 -2.24 0.04 -4.89 114.28 111.52 2ker n THR 65 Ca 0.10 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.58 2ker n THR 65 Cb 0.39 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 67.85 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 -4.12 0.81 0.20 3.38 0.00 -1.16 -4.98 107.32 101.45 2ker s GLY 66 Ca -0.02 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.01 2ker s GLY 66 CO 0.05 0.64 0.68 1.08 0.00 0.00 0.00 173.10 175.54 2ker s LEU 67 N 1.44 4.35 0.07 0.66 1.43 -1.26 -0.73 118.68 124.65 2ker s LEU 67 Ca 0.00 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2ker s LEU 67 Cb -0.13 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 2ker s LEU 67 CO -0.05 0.06 -0.04 -1.00 0.23 0.00 0.00 176.35 175.54 2ker s HIS 68 N -1.49 0.65 -0.14 0.29 3.76 0.20 -3.99 115.29 114.57 2ker s HIS 68 Ca 0.41 -0.99 -0.26 0.00 -0.15 0.00 0.00 55.06 54.07 2ker s HIS 68 Cb -0.16 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 2ker s HIS 68 CO 0.21 -0.28 0.84 0.95 -0.85 0.00 0.00 174.74 175.60 2ker s THR 69 N -3.71 4.89 0.56 1.30 -4.23 -1.26 0.46 115.64 113.65 2ker s THR 69 Ca 0.08 1.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.29 2ker s THR 69 Cb 0.06 -4.15 0.06 0.00 1.34 0.00 0.00 72.50 69.81 2ker s THR 69 CO -0.08 0.06 0.78 0.00 -0.54 0.00 0.00 174.62 174.84 2ker s ASP 71 N -4.51 0.64 0.00 0.00 -4.77 -1.26 -4.37 116.67 102.39 2ker s ASP 71 Ca 0.59 -0.44 0.00 0.00 -3.30 0.00 0.00 52.55 49.41 2ker s ASP 71 Cb -0.09 0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.78 2ker s ASP 71 CO 0.39 -0.17 0.00 -2.65 0.70 0.00 0.00 175.17 173.43 2ker n PRO 72 N 1.81 0.00 -3.15 2.11 -0.02 -1.26 -4.79 135.00 129.70 2ker n PRO 72 Ca -0.21 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.32 2ker n PRO 72 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ker s ALA 73 N 0.00 -2.89 0.14 3.55 0.00 -1.26 -5.15 121.76 116.15 2ker s ALA 73 Ca 0.00 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2ker s ALA 73 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 2ker s ALA 73 CO 0.00 -1.66 1.05 0.95 0.00 0.00 0.00 175.76 176.10 2ker s THR 74 N 2.89 4.16 0.48 0.00 -4.23 -1.26 -4.71 115.64 112.97 2ker s THR 74 Ca 0.14 1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 62.22 2ker s THR 74 Cb -0.10 -4.15 -0.07 0.00 1.34 0.00 0.00 72.50 69.52 2ker s THR 74 CO -0.21 0.28 1.34 -2.16 -0.54 0.00 0.00 174.62 173.33 2ker s PRO 75 N -0.09 3.51 -0.67 3.99 0.04 -1.26 -4.91 135.00 135.61 2ker s PRO 75 Ca 0.49 2.20 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 2ker s PRO 75 Cb -0.27 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2ker s PRO 75 CO 0.32 -0.88 1.36 0.45 0.04 0.00 0.00 177.00 178.29 2ker s SER 76 N -0.86 6.10 -0.02 6.66 0.15 -1.26 -4.95 113.70 119.52 2ker s SER 76 Ca 0.65 -0.13 -0.09 0.00 0.70 0.00 0.00 55.95 57.08 2ker s SER 76 Cb -0.39 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.38 2ker s SER 76 CO 0.48 -1.82 0.19 -0.83 1.20 0.00 0.00 173.24 172.47 2ker s GLY 77 N 4.23 -0.05 0.00 9.45 0.00 -1.26 -5.11 107.32 114.58 2ker s GLY 77 Ca 0.43 0.15 0.27 0.00 0.00 0.00 0.00 44.72 45.57 2ker s GLY 77 CO 0.19 0.01 1.64 3.33 0.00 0.00 0.00 173.10 178.27