#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker n THR 2 N 0.00 0.00 -4.29 0.00 5.66 -1.26 -5.15 114.28 109.24 2ker n THR 2 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 2ker n THR 2 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2ker n THR 2 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ker s GLY 3 N -1.74 2.17 -0.31 1.09 0.00 -1.26 -5.12 107.32 102.15 2ker s GLY 3 Ca 0.00 -2.02 0.01 0.00 0.00 0.00 0.00 44.72 42.71 2ker s GLY 3 CO 0.00 -1.91 0.06 -0.56 0.00 0.00 0.00 173.10 170.69 2ker s SER 4 N -3.78 4.24 0.34 1.64 0.01 -1.26 -5.11 113.70 109.79 2ker s SER 4 Ca 0.37 -1.74 -0.26 0.00 1.31 0.00 0.00 55.95 55.63 2ker s SER 4 Cb 0.02 -1.18 -0.10 0.00 0.21 0.00 0.00 66.02 64.97 2ker s SER 4 CO 0.20 -0.37 0.98 -2.16 0.41 0.00 0.00 173.24 172.30 2ker s PRO 5 N 1.34 4.48 2.20 12.44 0.04 -1.26 -4.80 135.00 149.44 2ker s PRO 5 Ca 0.08 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2ker s PRO 5 Cb -0.18 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2ker s PRO 5 CO -0.16 0.17 0.00 1.33 0.04 0.00 0.00 177.00 178.38 2ker n VAL 6 N 0.44 0.00 0.04 -0.36 0.24 -1.25 -1.75 118.33 115.70 2ker n VAL 6 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2ker n VAL 6 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 3.84 1.52 0.00 2.33 0.00 -1.26 -4.83 120.51 122.10 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.53 0.00 0.00 0.00 1.02 -0.71 -4.55 120.64 115.86 2ker n GLU 8 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2ker n GLU 8 Cb 0.00 -0.00 0.43 0.00 -0.02 0.00 0.00 31.44 31.85 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 -2.97 5.39 -0.03 0.00 -7.23 -1.26 0.11 120.40 114.41 2ker s VAL 10 Ca 0.10 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 2ker s VAL 10 Cb 0.13 -3.51 0.03 0.00 0.56 0.00 0.00 36.38 33.59 2ker s VAL 10 CO 0.36 0.48 0.03 -0.70 -0.31 0.00 0.00 175.10 174.96 2ker s GLU 11 N -0.00 0.01 0.48 4.82 2.12 -0.28 -4.91 118.70 120.94 2ker s GLU 11 Ca 0.12 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 2ker s GLU 11 Cb -0.12 -0.38 -0.01 0.00 0.26 0.00 0.00 34.13 33.88 2ker s GLU 11 CO 0.02 -0.21 0.73 1.52 -0.54 0.00 0.00 175.26 176.77 2ker s TYR 12 N 1.41 3.32 0.04 5.30 -0.85 -1.24 -0.17 117.35 125.16 2ker s TYR 12 Ca -0.05 0.45 -0.04 0.00 -0.52 0.00 0.00 57.07 56.91 2ker s TYR 12 Cb -0.13 -2.37 -0.02 0.00 0.38 0.00 0.00 41.96 39.83 2ker s TYR 12 CO -0.03 -0.40 0.05 0.12 -1.52 0.00 0.00 175.55 173.76 2ker s PHE 13 N -2.67 0.30 -0.66 -3.49 5.36 -0.20 -4.90 117.98 111.72 2ker s PHE 13 Ca 0.49 -0.68 -0.12 0.00 -0.96 0.00 0.00 56.93 55.66 2ker s PHE 13 Cb -0.10 -0.22 0.17 0.00 -0.34 0.00 0.00 43.02 42.53 2ker s PHE 13 CO 0.41 -0.35 0.57 1.14 -1.46 0.00 0.00 175.22 175.52 2ker s GLN 14 N -2.89 3.08 -1.43 10.12 0.00 -1.26 -1.37 119.66 125.91 2ker s GLN 14 Ca -0.03 -2.16 -0.07 0.00 -0.00 0.00 0.00 55.36 53.10 2ker s GLN 14 Cb 0.01 -4.19 0.05 0.00 0.00 0.00 0.00 33.01 28.87 2ker s GLN 14 CO -0.06 -1.26 2.56 0.43 0.00 0.00 0.00 175.29 176.96 2ker n SER 15 N 4.37 8.07 0.00 12.60 7.64 0.20 -4.88 113.62 141.62 2ker n SER 15 Ca 0.02 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2ker n SER 15 Cb 0.43 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2ker n SER 15 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2ker n TRP 16 N 2.58 0.00 -1.75 1.43 -0.00 -1.26 -2.89 117.44 115.55 2ker n TRP 16 Ca 0.67 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.88 2ker n TRP 16 Cb 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.60 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 0.00 3.19 -3.32 5.87 0.63 -1.26 -1.03 116.66 120.73 2ker n ARG 17 Ca 0.00 -3.79 -0.11 0.00 -0.92 0.00 0.00 57.85 53.03 2ker n ARG 17 Cb 0.00 -2.28 -0.07 0.00 0.45 0.00 0.00 32.46 30.56 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 -3.71 -0.88 -0.72 -0.14 6.14 -1.14 -3.67 117.35 113.23 2ker s TYR 18 Ca 0.57 0.18 -0.23 0.00 0.64 0.00 0.00 57.07 58.23 2ker s TYR 18 Cb 0.45 -0.22 0.07 0.00 0.42 0.00 0.00 41.96 42.68 2ker s TYR 18 CO -0.01 -0.98 1.04 0.99 0.64 0.00 0.00 175.55 177.23 2ker s THR 19 N 2.46 4.30 -0.56 4.34 2.01 0.31 -0.63 115.64 127.87 2ker s THR 19 Ca 0.10 -0.46 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 2ker s THR 19 Cb -0.13 -4.74 0.05 0.00 0.01 0.00 0.00 72.50 67.69 2ker s THR 19 CO -0.30 -1.53 0.91 1.51 -0.69 0.00 0.00 174.62 174.52 2ker s ASP 20 N 3.74 6.30 -0.50 3.53 -4.77 -0.47 -2.49 116.67 122.02 2ker s ASP 20 Ca 0.26 -0.51 -0.18 0.00 -3.30 0.00 0.00 52.55 48.82 2ker s ASP 20 Cb -0.14 -2.42 0.06 0.00 -1.09 0.00 0.00 42.92 39.34 2ker s ASP 20 CO 0.07 -1.22 0.55 0.54 0.70 0.00 0.00 175.17 175.82 2ker s VAL 21 N 3.80 4.99 -0.38 2.11 0.11 -1.18 -1.04 120.40 128.82 2ker s VAL 21 Ca 0.27 -0.69 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 2ker s VAL 21 Cb -0.14 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 2ker s VAL 21 CO 0.17 -0.74 0.46 -1.38 -3.33 0.00 0.00 175.10 170.28 2ker s HIS 22 N 2.31 3.17 0.40 1.54 -3.43 0.76 -2.13 115.29 117.92 2ker s HIS 22 Ca 0.11 -0.09 -0.19 0.00 -0.80 0.00 0.00 55.06 54.10 2ker s HIS 22 Cb -0.21 -2.88 -0.10 0.00 -1.43 0.00 0.00 32.58 27.96 2ker s HIS 22 CO 0.10 -0.59 0.89 1.21 -2.00 0.00 0.00 174.74 174.35 2ker s ASN 23 N 1.79 6.89 -0.04 7.38 3.84 -0.11 -1.13 114.94 133.56 2ker s ASN 23 Ca 0.15 1.57 0.14 0.00 0.21 0.00 0.00 52.86 54.93 2ker s ASN 23 Cb -0.16 -2.49 0.26 0.00 -0.55 0.00 0.00 41.25 38.31 2ker s ASN 23 CO 0.13 -0.32 1.11 0.61 -2.79 0.00 0.00 177.10 175.85 2ker n GLY 24 N -0.58 1.80 3.92 1.21 0.00 0.12 -2.37 105.19 109.29 2ker n GLY 24 Ca 0.06 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.28 2.27 -2.42 0.00 0.00 -1.26 -4.02 120.51 112.80 2ker n ALA 26 Ca 0.02 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 2ker n ALA 26 Cb 0.57 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.95 3.28 -0.11 0.00 -4.77 -1.26 -4.77 116.67 105.09 2ker s ASP 27 Ca 0.12 -0.81 -0.29 0.00 -3.30 0.00 0.00 52.55 48.26 2ker s ASP 27 Cb 0.15 -0.23 -0.04 0.00 -1.09 0.00 0.00 42.92 41.71 2ker s ASP 27 CO 0.56 0.13 1.60 0.00 0.70 0.00 0.00 175.17 178.16 2ker s ALA 28 N -1.42 3.52 -0.03 2.11 0.00 -1.26 -4.23 121.76 120.45 2ker s ALA 28 Ca 0.17 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.94 2ker s ALA 28 Cb -0.09 -3.76 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 2ker s ALA 28 CO 0.08 -1.53 -0.23 0.14 0.00 0.00 0.00 175.76 174.22 2ker s VAL 29 N 4.33 1.87 -0.20 0.00 -7.23 -0.99 -4.81 120.40 113.37 2ker s VAL 29 Ca 0.71 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 59.66 2ker s VAL 29 Cb -0.29 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2ker s VAL 29 CO 0.27 0.53 0.71 -0.44 -0.31 0.00 0.00 175.10 175.86 2ker s SER 30 N -0.35 6.76 0.15 4.85 0.01 -1.26 0.76 113.70 124.62 2ker s SER 30 Ca 0.03 0.93 0.11 0.00 1.31 0.00 0.00 55.95 58.33 2ker s SER 30 Cb -0.11 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2ker s SER 30 CO 0.01 -0.34 -0.25 0.68 0.41 0.00 0.00 173.24 173.75 2ker s VAL 31 N 2.14 2.18 0.16 3.43 -7.23 0.15 0.80 120.40 122.04 2ker s VAL 31 Ca 0.32 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2ker s VAL 31 Cb -0.16 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2ker s VAL 31 CO 0.10 -0.03 -0.11 0.28 -0.31 0.00 0.00 175.10 175.03 2ker s THR 32 N -1.34 1.34 -0.04 5.32 -1.32 0.27 0.94 115.64 120.82 2ker s THR 32 Ca 0.15 -2.11 0.02 0.00 -1.21 0.00 0.00 61.69 58.54 2ker s THR 32 Cb -0.09 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 69.01 2ker s THR 32 CO 0.07 -0.70 -0.07 0.68 -2.21 0.00 0.00 174.62 172.39 2ker s VAL 33 N -3.22 0.65 -0.34 5.08 -7.23 -1.26 0.37 120.40 114.46 2ker s VAL 33 Ca 0.18 -0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2ker s VAL 33 Cb 0.02 -0.62 -0.00 0.00 0.56 0.00 0.00 36.38 36.33 2ker s VAL 33 CO 0.02 0.23 0.20 -0.70 -0.31 0.00 0.00 175.10 174.55 2ker s GLU 34 N 0.55 3.27 0.52 4.82 2.12 0.20 -4.21 118.70 125.97 2ker s GLU 34 Ca -0.08 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 2ker s GLU 34 Cb -0.12 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2ker s GLU 34 CO 0.01 -0.50 0.79 0.71 -0.54 0.00 0.00 175.26 175.72 2ker s TYR 35 N 1.65 3.23 0.46 5.30 1.51 -1.26 -0.36 117.35 127.88 2ker s TYR 35 Ca 0.05 0.43 0.21 0.00 -1.01 0.00 0.00 57.07 56.75 2ker s TYR 35 Cb -0.18 -2.53 1.21 0.00 -0.11 0.00 0.00 41.96 40.36 2ker s TYR 35 CO 0.08 -0.60 1.90 1.15 -1.11 0.00 0.00 175.55 176.98 2ker h THR 36 N 0.11 0.69 0.00 -0.71 2.02 0.11 -3.39 112.91 111.74 2ker h THR 36 Ca -0.46 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2ker h THR 36 Cb 1.25 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2ker h THR 36 CO 0.59 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.93 2ker n HIS 37 N -4.43 0.00 0.00 3.16 8.25 -1.26 -4.97 115.22 115.96 2ker n HIS 37 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2ker n HIS 37 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 3.44 -0.58 3.76 -1.41 0.00 -1.26 -5.14 105.19 104.00 2ker n GLY 38 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 4.39 -0.46 1.61 -1.52 -1.26 -4.93 119.66 117.49 2ker s GLN 39 Ca 0.00 2.15 -0.28 0.00 -1.95 0.00 0.00 55.36 55.28 2ker s GLN 39 Cb 0.00 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2ker s GLN 39 CO 0.00 -0.18 1.56 -0.46 -0.25 0.00 0.00 175.29 175.96 2ker s TRP 40 N -0.78 2.14 0.00 0.91 -0.00 -1.26 -4.35 118.94 115.60 2ker s TRP 40 Ca 0.51 0.62 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 2ker s TRP 40 Cb -0.38 -4.27 0.00 0.00 -0.00 0.00 0.00 33.47 28.82 2ker s TRP 40 CO 0.48 -2.25 0.00 0.00 -0.00 0.00 0.00 176.95 175.18 2ker n ALA 41 N 9.83 0.00 -0.96 5.86 0.00 -1.26 -5.07 120.51 128.90 2ker n ALA 41 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 2ker n ALA 41 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.40 0.00 0.00 0.00 -0.04 -1.26 -4.51 135.00 127.79 2ker n PRO 42 Ca 0.00 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2ker n PRO 42 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.04 0.00 1.81 0.27 -4.36 118.95 116.87 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 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.60 2ker s ARG 44 CO 0.00 -0.26 1.08 0.54 -0.68 0.00 0.00 175.30 175.98 2ker s VAL 45 N 2.39 4.56 0.16 3.52 0.11 -1.26 0.32 120.40 130.20 2ker s VAL 45 Ca -0.01 1.84 -0.12 0.00 -2.93 0.00 0.00 61.98 60.77 2ker s VAL 45 Cb -0.12 -4.18 -0.07 0.00 -1.53 0.00 0.00 36.38 30.48 2ker s VAL 45 CO -0.11 0.06 0.51 -0.51 -3.33 0.00 0.00 175.10 171.72 2ker s ILE 46 N 1.68 4.94 -0.00 7.04 1.10 0.23 -4.87 121.20 131.31 2ker s ILE 46 Ca 0.53 0.61 -0.24 0.00 -0.51 0.00 0.00 60.65 61.04 2ker s ILE 46 Cb -0.22 -3.68 -0.05 0.00 0.15 0.00 0.00 42.46 38.66 2ker s ILE 46 CO 0.23 0.14 0.72 -1.61 -2.11 0.00 0.00 174.94 172.31 2ker s GLU 47 N -2.25 4.44 -0.94 3.50 2.02 -1.26 -2.34 118.70 121.87 2ker s GLU 47 Ca 0.40 0.95 -0.24 0.00 0.02 0.00 0.00 54.97 56.10 2ker s GLU 47 Cb -0.13 -3.39 -0.24 0.00 0.10 0.00 0.00 34.13 30.47 2ker s GLU 47 CO 0.20 0.22 2.49 -2.30 0.02 0.00 0.00 175.26 175.89 2ker n PRO 48 N 3.13 0.14 0.00 0.39 -0.02 -1.26 0.11 135.00 137.49 2ker n PRO 48 Ca -0.03 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2ker n PRO 48 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 6.17 0.96 0.72 -1.23 0.00 -1.00 -4.91 105.19 105.91 2ker n GLY 49 Ca 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.68 2.06 3.61 -0.02 0.00 0.30 -4.67 105.19 104.79 2ker n GLY 50 Ca 0.00 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.60 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 0.24 2.50 -0.12 1.61 0.52 -1.24 -0.93 118.94 121.51 2ker s TRP 51 Ca 0.11 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.63 2ker s TRP 51 Cb -0.01 -1.61 0.05 0.00 -1.15 0.00 0.00 33.47 30.75 2ker s TRP 51 CO 0.07 0.47 0.12 0.00 0.02 0.00 0.00 176.95 177.62 2ker s ALA 52 N -2.62 0.13 -0.03 0.98 0.00 -0.91 -4.80 121.76 114.51 2ker s ALA 52 Ca 0.35 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 2ker s ALA 52 Cb 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2ker s ALA 52 CO 0.18 -0.86 0.83 0.99 0.00 0.00 0.00 175.76 176.90 2ker s THR 53 N 2.21 4.95 0.02 0.00 2.01 -1.26 -3.08 115.64 120.49 2ker s THR 53 Ca 0.04 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.78 2ker s THR 53 Cb -0.14 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2ker s THR 53 CO -0.07 0.21 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.68 2ker s PHE 54 N 0.86 0.31 -0.45 4.92 0.08 -1.04 -4.95 117.98 117.71 2ker s PHE 54 Ca 0.44 -0.35 -0.27 0.00 0.12 0.00 0.00 56.93 56.87 2ker s PHE 54 Cb -0.19 -0.20 -0.07 0.00 -0.57 0.00 0.00 43.02 41.98 2ker s PHE 54 CO 0.23 -0.10 2.38 0.00 -0.10 0.00 0.00 175.22 177.63 2ker n ALA 55 N 2.06 1.00 -1.00 5.36 0.00 -1.26 -0.53 120.51 126.13 2ker n ALA 55 Ca -0.20 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2ker n ALA 55 Cb 0.56 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.92 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 6.00 -2.03 3.51 0.00 0.00 -1.24 -4.15 105.19 107.27 2ker n GLY 56 Ca 0.37 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.95 2.89 0.00 1.61 1.13 -0.20 -4.36 117.35 117.46 2ker s TYR 57 Ca 0.00 -1.25 0.00 0.00 -1.41 0.00 0.00 57.07 54.41 2ker s TYR 57 Cb 0.00 -4.49 0.00 0.00 -1.10 0.00 0.00 41.96 36.37 2ker s TYR 57 CO 0.00 -1.69 0.00 0.41 -2.51 0.00 0.00 175.55 171.76 2ker n GLY 58 N 5.93 0.11 3.59 5.49 0.00 -0.82 -4.46 105.19 115.04 2ker n GLY 58 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 2ker n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ker s THR 59 N 0.00 4.56 -1.79 2.61 2.01 -1.26 -3.35 115.64 118.42 2ker s THR 59 Ca 0.00 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2ker s THR 59 Cb 0.00 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2ker s THR 59 CO 0.00 -0.62 0.00 0.47 -0.69 0.00 0.00 174.62 173.78 2ker n ASP 60 N 6.87 -5.15 0.00 3.53 8.00 -1.26 -4.35 116.55 124.20 2ker n ASP 60 Ca 0.06 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2ker n ASP 60 Cb 0.48 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 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 -0.85 2.01 2.50 0.44 0.00 -1.21 -4.81 105.19 103.26 2ker n GLY 61 Ca -0.19 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 6.45 -5.46 -4.58 1.61 5.03 -1.26 -1.94 115.26 115.12 2ker n ASN 62 Ca 0.00 0.30 -0.44 0.00 0.87 0.00 0.00 54.58 55.31 2ker n ASN 62 Cb 0.00 -4.62 -0.04 0.00 -1.02 0.00 0.00 39.78 34.11 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 -3.01 1.92 -1.79 3.10 9.36 -1.26 -4.32 117.16 121.16 2ker n TYR 63 Ca -0.21 -0.07 -0.41 0.00 3.32 0.00 0.00 57.90 60.53 2ker n TYR 63 Cb 0.66 -2.70 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 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 8.08 2.08 0.00 2.97 -7.23 -1.26 0.72 120.40 125.76 2ker s VAL 64 Ca 1.02 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 2ker s VAL 64 Cb -0.42 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.48 2ker s VAL 64 CO 0.38 0.01 0.52 1.07 -0.31 0.00 0.00 175.10 176.77 2ker n THR 65 N 1.56 0.00 -3.20 5.32 5.66 0.52 -4.85 114.28 119.28 2ker n THR 65 Ca 0.05 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.08 2ker n THR 65 Cb 0.38 0.65 -0.02 0.00 -1.55 0.00 0.00 70.33 69.80 2ker n THR 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ker s GLY 66 N -0.21 -0.92 0.03 1.09 0.00 -0.96 -4.95 107.32 101.39 2ker s GLY 66 Ca 0.00 1.78 -0.25 0.00 0.00 0.00 0.00 44.72 46.25 2ker s GLY 66 CO 0.00 3.28 0.77 1.08 0.00 0.00 0.00 173.10 178.23 2ker s LEU 67 N 2.83 4.43 0.09 0.66 1.43 -1.26 0.61 118.68 127.47 2ker s LEU 67 Ca 0.18 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.79 2ker s LEU 67 Cb -0.15 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2ker s LEU 67 CO -0.20 -0.02 -0.18 -1.00 0.23 0.00 0.00 176.35 175.18 2ker s HIS 68 N 0.10 1.58 -0.05 0.29 3.76 0.16 -3.77 115.29 117.37 2ker s HIS 68 Ca 0.39 -0.43 -0.26 0.00 -0.15 0.00 0.00 55.06 54.61 2ker s HIS 68 Cb -0.20 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 2ker s HIS 68 CO 0.23 0.15 0.83 0.99 -0.85 0.00 0.00 174.74 176.08 2ker s THR 69 N -1.17 4.96 0.49 1.30 2.01 -1.26 0.98 115.64 122.95 2ker s THR 69 Ca 0.04 1.72 0.07 0.00 0.31 0.00 0.00 61.69 63.82 2ker s THR 69 Cb -0.10 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.29 2ker s THR 69 CO 0.03 0.19 0.68 0.00 -0.69 0.00 0.00 174.62 174.83 2ker s ASP 71 N -4.47 1.70 0.00 0.00 -4.77 -1.26 -4.40 116.67 103.47 2ker s ASP 71 Ca 0.58 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 2ker s ASP 71 Cb -0.09 -0.07 0.00 0.00 -1.09 0.00 0.00 42.92 41.68 2ker s ASP 71 CO 0.36 -0.05 0.04 -2.65 0.70 0.00 0.00 175.17 173.58 2ker n PRO 72 N 1.41 0.00 -2.71 2.11 -0.01 -1.26 -4.62 135.00 129.92 2ker n PRO 72 Ca -0.20 0.00 -0.07 0.00 -0.01 0.00 0.00 63.50 63.22 2ker n PRO 72 Cb 0.54 -0.05 0.07 0.00 -0.01 0.00 0.00 33.50 34.05 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 0.20 -2.31 -2.17 3.55 0.00 -1.26 -5.14 120.51 113.37 2ker n ALA 73 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 2ker n ALA 73 Cb 0.02 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 2ker n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ker s THR 74 N 0.41 3.45 -0.33 0.00 2.01 -1.26 -4.89 115.64 115.03 2ker s THR 74 Ca 0.29 1.09 -0.40 0.00 0.31 0.00 0.00 61.69 62.98 2ker s THR 74 Cb 0.23 -3.70 -0.15 0.00 0.01 0.00 0.00 72.50 68.89 2ker s THR 74 CO -0.17 0.11 1.90 -0.81 -0.69 0.00 0.00 174.62 174.96 2ker n PRO 75 N 3.52 0.96 0.00 4.92 -0.04 -1.26 -4.58 135.00 138.52 2ker n PRO 75 Ca 0.09 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2ker n PRO 75 Cb 0.43 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 2ker n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ker n SER 76 N 6.75 0.00 0.00 3.54 2.88 -1.26 -5.05 113.62 120.48 2ker n SER 76 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2ker n SER 76 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2ker n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ker n GLY 77 N -0.79 0.83 0.54 0.46 0.00 -1.26 -5.30 105.19 99.66 2ker n GLY 77 Ca 0.00 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2ker n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65