#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor s ILE 2 N 0.00 4.27 -0.30 2.02 1.01 -1.26 -4.94 121.20 122.00 2jor s ILE 2 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.91 2jor s ILE 2 Cb 0.00 -4.43 0.18 0.00 0.01 0.00 0.00 42.46 38.22 2jor s ILE 2 CO 0.00 -0.71 0.98 -0.62 0.00 0.00 0.00 174.94 174.59 2jor s ASP 3 N 2.38 -0.60 -0.38 3.58 2.15 -1.26 -5.09 116.67 117.45 2jor s ASP 3 Ca 0.50 0.45 -0.01 0.00 0.43 0.00 0.00 52.55 53.92 2jor s ASP 3 Cb -0.11 1.53 0.26 0.00 -0.30 0.00 0.00 42.92 44.30 2jor s ASP 3 CO 0.25 -0.11 1.12 -0.46 -0.17 0.00 0.00 175.17 175.80 2jor n ASN 4 N 5.37 -1.77 -3.53 -0.34 6.94 -1.26 -5.16 115.26 115.50 2jor n ASN 4 Ca -0.06 -2.11 -0.00 0.00 -0.02 0.00 0.00 54.58 52.38 2jor n ASN 4 Cb 0.53 1.02 0.02 0.00 -2.36 0.00 0.00 39.78 38.99 2jor n ASN 4 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2jor n GLU 5 N 1.70 0.41 0.00 -3.83 0.28 -1.26 -5.15 120.64 112.78 2jor n GLU 5 Ca 0.05 -1.11 0.00 0.00 -0.16 0.00 0.00 57.16 55.94 2jor n GLU 5 Cb 0.68 1.62 0.00 0.00 1.43 0.00 0.00 31.44 35.17 2jor n GLU 5 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jor n LYS 6 N -0.81 0.39 -2.76 3.44 4.76 -1.26 -4.91 118.16 117.01 2jor n LYS 6 Ca 0.01 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.41 2jor n LYS 6 Cb 0.57 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.73 2jor n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jor n VAL 7 N 0.00 -9.36 -3.81 -0.18 0.31 -1.26 -5.05 118.33 98.98 2jor n VAL 7 Ca 0.00 1.92 -0.05 0.00 -0.01 0.00 0.00 64.34 66.20 2jor n VAL 7 Cb 0.00 -5.39 -0.01 0.00 -0.91 0.00 0.00 33.84 27.53 2jor n VAL 7 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jor s THR 8 N -0.56 0.00 -0.90 2.52 -1.32 -1.26 -4.90 115.64 109.22 2jor s THR 8 Ca -0.19 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2jor s THR 8 Cb 0.01 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 2jor s THR 8 CO 0.56 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.77 2jor n SER 9 N -0.55 -3.61 -1.26 8.08 7.64 -1.26 -4.89 113.62 117.77 2jor n SER 9 Ca -0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2jor n SER 9 Cb 0.60 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 2jor n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jor n GLY 10 N 0.07 1.48 6.96 0.23 0.00 -1.26 -4.61 105.19 108.06 2jor n GLY 10 Ca -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2jor n GLY 10 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jor n HIS 11 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.17 115.22 111.40 2jor n HIS 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jor n HIS 11 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jor n HIS 11 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2jor n THR 12 N 0.00 0.00 -3.63 3.57 -1.04 -1.26 -5.09 114.28 106.83 2jor n THR 12 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2jor n THR 12 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2jor n THR 12 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jor s THR 13 N 0.00 0.00 -0.38 12.58 -1.32 -1.26 -5.10 115.64 120.16 2jor s THR 13 Ca 0.00 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 2jor s THR 13 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2jor s THR 13 CO 0.00 0.00 0.28 -0.89 -2.21 0.00 0.00 174.62 171.80 2jor s THR 14 N -0.49 5.26 0.34 5.08 2.01 -1.26 -5.07 115.64 121.51 2jor s THR 14 Ca 0.05 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 2jor s THR 14 Cb -0.03 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 2jor s THR 14 CO -0.07 -0.17 0.68 0.42 -0.69 0.00 0.00 174.62 174.79 2jor s THR 15 N 1.73 4.84 0.05 -0.82 -4.23 -1.26 -5.09 115.64 110.86 2jor s THR 15 Ca 0.06 0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 2jor s THR 15 Cb -0.18 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.00 2jor s THR 15 CO 0.10 -0.35 0.42 0.00 -0.54 0.00 0.00 174.62 174.26 2jor s ARG 16 N -3.47 0.94 0.00 3.99 1.70 -1.26 -4.89 118.95 115.95 2jor s ARG 16 Ca 0.49 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2jor s ARG 16 Cb -0.10 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2jor s ARG 16 CO 0.27 -0.33 0.00 -2.13 -1.08 0.00 0.00 175.30 172.03 2jor n ARG 17 N 0.46 0.00 -0.26 3.89 0.63 -1.26 -4.54 116.66 115.57 2jor n ARG 17 Ca -0.18 0.00 0.32 0.00 -0.92 0.00 0.00 57.85 57.07 2jor n ARG 17 Cb 0.60 0.00 0.74 0.00 0.45 0.00 0.00 32.46 34.25 2jor n ARG 17 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jor h SER 18 N 0.00 0.01 -3.47 6.15 0.87 -1.94 -2.93 113.55 112.23 2jor h SER 18 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 2jor h SER 18 Cb 0.00 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 2jor h SER 18 CO 0.00 0.00 -0.83 0.00 -0.53 0.00 0.00 176.83 175.48 2jor s SER 20 N -2.49 6.90 -0.04 0.00 0.01 -1.26 -4.47 113.70 112.35 2jor s SER 20 Ca 0.17 1.27 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 2jor s SER 20 Cb -0.08 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2jor s SER 20 CO 0.08 -0.87 0.04 -0.54 0.41 0.00 0.00 173.24 172.36 2jor s LYS 21 N 3.67 0.03 -0.22 12.44 1.02 -1.06 -3.18 119.74 132.45 2jor s LYS 21 Ca 0.50 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.81 2jor s LYS 21 Cb -0.16 -0.52 0.04 0.00 -0.52 0.00 0.00 37.83 36.67 2jor s LYS 21 CO 0.15 -0.29 -0.14 0.08 -0.92 0.00 0.00 175.35 174.23 2jor s VAL 22 N 1.91 2.03 -0.21 3.17 1.01 -1.26 -2.22 120.40 124.83 2jor s VAL 22 Ca 0.02 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.75 2jor s VAL 22 Cb -0.12 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2jor s VAL 22 CO -0.03 0.22 -0.10 -0.63 0.00 0.00 0.00 175.10 174.56 2jor s ILE 23 N 1.23 1.70 -0.15 2.22 1.09 -0.14 -4.58 121.20 122.57 2jor s ILE 23 Ca -0.02 -1.14 -0.02 0.00 -1.10 0.00 0.00 60.65 58.37 2jor s ILE 23 Cb -0.17 -1.82 0.05 0.00 -1.06 0.00 0.00 42.46 39.46 2jor s ILE 23 CO -0.09 0.10 -0.00 0.42 -0.10 0.00 0.00 174.94 175.27 2jor s THR 24 N 1.35 0.67 -0.29 2.92 -4.23 -1.25 0.11 115.64 114.92 2jor s THR 24 Ca -0.03 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2jor s THR 24 Cb -0.17 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 72.77 2jor s THR 24 CO -0.07 0.03 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.45 2jor s LYS 25 N 1.82 1.89 -0.08 3.99 1.02 0.31 -4.46 119.74 124.23 2jor s LYS 25 Ca 0.01 -1.52 0.05 0.00 0.02 0.00 0.00 55.97 54.53 2jor s LYS 25 Cb -0.15 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2jor s LYS 25 CO -0.07 -0.72 -0.23 -0.08 -0.92 0.00 0.00 175.35 173.33 2jor s THR 26 N 1.05 1.97 -0.36 2.17 -1.32 -1.26 0.22 115.64 118.12 2jor s THR 26 Ca -0.01 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.38 2jor s THR 26 Cb -0.20 -1.70 0.02 0.00 -1.51 0.00 0.00 72.50 69.12 2jor s THR 26 CO -0.07 0.54 0.18 -0.69 -2.21 0.00 0.00 174.62 172.38 2jor s VAL 27 N 0.18 4.43 -0.41 5.08 1.01 -0.97 -4.80 120.40 124.93 2jor s VAL 27 Ca -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 2jor s VAL 27 Cb -0.16 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.84 2jor s VAL 27 CO 0.07 -0.18 0.24 -0.89 0.00 0.00 0.00 175.10 174.34 2jor s THR 28 N 1.54 4.26 -0.22 3.92 2.01 -1.26 -2.97 115.64 122.91 2jor s THR 28 Ca 0.02 -1.29 -0.11 0.00 0.31 0.00 0.00 61.69 60.62 2jor s THR 28 Cb -0.19 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2jor s THR 28 CO 0.06 -0.44 0.19 0.20 -0.69 0.00 0.00 174.62 173.94 2jor s ASN 29 N 1.97 6.20 0.11 3.53 0.01 -1.12 -4.93 114.94 120.72 2jor s ASN 29 Ca 0.02 0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.42 2jor s ASN 29 Cb -0.22 -2.12 0.15 0.00 0.41 0.00 0.00 41.25 39.47 2jor s ASN 29 CO 0.03 0.08 0.82 0.00 -1.51 0.00 0.00 177.10 176.52 2jor n ALA 30 N 4.05 0.37 1.03 0.60 0.00 -1.26 0.05 120.51 125.35 2jor n ALA 30 Ca -0.14 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2jor n ALA 30 Cb 0.52 -0.41 0.52 0.00 0.00 0.00 0.00 19.45 20.09 2jor n ALA 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jor n ASP 31 N -1.44 0.00 0.00 0.00 9.92 -1.26 -4.80 116.55 118.97 2jor n ASP 31 Ca -0.00 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 2jor n ASP 31 Cb 0.38 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2jor n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jor n GLY 32 N 0.32 0.93 3.86 0.44 0.00 0.11 -5.09 105.19 105.77 2jor n GLY 32 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2jor n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jor s ARG 33 N -0.92 3.90 -0.26 1.61 0.52 -1.10 -4.97 118.95 117.72 2jor s ARG 33 Ca 0.00 0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 55.66 2jor s ARG 33 Cb 0.00 -2.52 0.15 0.00 0.52 0.00 0.00 34.95 33.10 2jor s ARG 33 CO 0.00 0.20 0.47 0.95 0.02 0.00 0.00 175.30 176.94 2jor s THR 34 N -1.95 -0.75 0.15 0.02 -4.23 -1.26 -2.77 115.64 104.84 2jor s THR 34 Ca 0.51 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 2jor s THR 34 Cb -0.11 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2jor s THR 34 CO 0.20 -0.06 -0.25 -1.61 -0.54 0.00 0.00 174.62 172.36 2jor s GLU 35 N 2.67 1.41 -0.21 3.99 2.02 -1.16 -4.99 118.70 122.44 2jor s GLU 35 Ca 0.13 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.72 2jor s GLU 35 Cb -0.15 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.30 2jor s GLU 35 CO -0.17 0.42 -0.02 0.99 0.02 0.00 0.00 175.26 176.50 2jor s THR 36 N -1.28 1.11 -0.35 3.63 2.01 -1.26 -2.28 115.64 117.23 2jor s THR 36 Ca 0.16 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 2jor s THR 36 Cb -0.09 -1.44 0.01 0.00 0.01 0.00 0.00 72.50 70.98 2jor s THR 36 CO 0.07 -0.10 0.20 -0.89 -0.69 0.00 0.00 174.62 173.21 2jor s THR 37 N 1.60 4.70 0.00 -0.82 2.01 0.60 -4.92 115.64 118.80 2jor s THR 37 Ca -0.03 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2jor s THR 37 Cb -0.18 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2jor s THR 37 CO -0.07 -0.11 0.00 0.29 -0.69 0.00 0.00 174.62 174.04 2jor n LYS 38 N 5.01 0.00 0.00 4.92 4.76 -1.26 0.11 118.16 131.70 2jor n LYS 38 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2jor n LYS 38 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 2jor n LYS 38 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jor n GLU 39 N -0.75 0.00 -4.94 1.97 1.02 0.31 -4.47 120.64 113.78 2jor n GLU 39 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2jor n GLU 39 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 2jor n GLU 39 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2jor s VAL 40 N 0.25 2.92 -0.21 2.62 -7.23 -1.26 -0.97 120.40 116.53 2jor s VAL 40 Ca 0.00 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 2jor s VAL 40 Cb 0.00 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.87 2jor s VAL 40 CO 0.00 0.59 0.04 -0.69 -0.31 0.00 0.00 175.10 174.72 2jor s VAL 41 N -0.63 0.63 -0.13 1.32 1.01 -0.94 -4.98 120.40 116.67 2jor s VAL 41 Ca 0.09 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2jor s VAL 41 Cb -0.11 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2jor s VAL 41 CO 0.01 -0.27 -0.19 -0.54 0.00 0.00 0.00 175.10 174.10 2jor s LYS 42 N 1.80 3.14 0.83 2.72 1.02 -1.26 -2.55 119.74 125.44 2jor s LYS 42 Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 55.04 2jor s LYS 42 Cb -0.17 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2jor s LYS 42 CO -0.11 0.07 0.44 -1.13 -0.92 0.00 0.00 175.35 173.71 2jor n SER 43 N 3.86 -1.72 0.20 2.83 3.41 -1.11 -4.92 113.62 116.17 2jor n SER 43 Ca -0.19 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 2jor n SER 43 Cb 0.52 -1.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.19 2jor n SER 43 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jor h GLU 44 N -0.93 -0.51 0.00 4.33 3.07 -1.96 -3.49 114.58 115.09 2jor h GLU 44 Ca -0.45 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.53 2jor h GLU 44 Cb 1.32 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 2jor h GLU 44 CO 0.38 -0.19 0.24 -0.40 -1.40 0.00 0.00 179.01 177.64 2jor n ASP 45 N -5.18 -0.53 0.00 1.42 5.68 -1.26 -5.16 116.55 111.52 2jor n ASP 45 Ca -0.10 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 2jor n ASP 45 Cb 0.28 0.84 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 2jor n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jor n GLY 46 N -0.27 -1.89 3.25 6.12 0.00 -1.26 -4.90 105.19 106.25 2jor n GLY 46 Ca 0.00 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 2jor n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jor n SER 47 N 0.50 -2.43 0.04 1.61 2.88 -1.26 -4.87 113.62 110.09 2jor n SER 47 Ca 0.00 -0.15 -0.20 0.00 -1.33 0.00 0.00 58.87 57.19 2jor n SER 47 Cb 0.00 -0.92 -0.11 0.00 -0.75 0.00 0.00 64.21 62.43 2jor n SER 47 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2jor h ASP 48 N -2.08 0.92 -3.82 -3.46 3.32 -1.87 -3.45 116.42 105.98 2jor h ASP 48 Ca -0.52 -0.74 -0.12 0.00 0.02 0.00 0.00 57.03 55.66 2jor h ASP 48 Cb 1.34 -0.28 -0.24 0.00 0.22 0.00 0.00 39.33 40.37 2jor h ASP 48 CO 0.37 1.54 -0.24 0.00 -1.72 0.00 0.00 179.24 179.19 2jor h GLY 50 N 5.66 -1.20 -1.91 0.00 0.00 -1.88 -2.15 103.07 101.59 2jor h GLY 50 Ca -0.28 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jor h GLY 50 CO 0.25 -0.31 0.00 1.22 0.00 0.00 0.00 176.54 177.70 2jor n ASP 51 N -5.32 2.81 -1.34 0.19 9.92 -1.26 -4.94 116.55 116.62 2jor n ASP 51 Ca -0.09 -2.27 -0.00 0.00 -0.53 0.00 0.00 54.79 51.89 2jor n ASP 51 Cb 0.41 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jor n ALA 52 N 0.44 -0.40 -3.30 2.24 0.00 -0.81 -4.97 120.51 113.70 2jor n ALA 52 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2jor n ALA 52 Cb 0.56 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 2jor n ALA 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jor s ASP 53 N -1.36 0.20 0.00 0.00 1.01 -1.26 -1.16 116.67 114.11 2jor s ASP 53 Ca 0.03 -1.14 0.00 0.00 0.71 0.00 0.00 52.55 52.16 2jor s ASP 53 Cb -0.00 1.08 0.00 0.00 1.01 0.00 0.00 42.92 45.01 2jor s ASP 53 CO 0.01 -0.25 0.00 0.33 0.21 0.00 0.00 175.17 175.47 2jor n PHE 54 N 4.48 0.00 -2.67 4.23 7.35 -1.26 -3.73 117.46 125.87 2jor n PHE 54 Ca 0.09 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.75 2jor n PHE 54 Cb 0.49 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.37 2jor n PHE 54 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2jor n ASP 55 N -1.43 -1.41 -1.14 -2.13 -0.08 -1.19 -4.33 116.55 104.83 2jor n ASP 55 Ca 0.00 -1.10 0.13 0.00 -1.51 0.00 0.00 54.79 52.31 2jor n ASP 55 Cb 0.00 0.72 -0.05 0.00 2.34 0.00 0.00 41.12 44.14 2jor n ASP 55 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2jor n TRP 56 N 2.37 -2.59 0.00 -0.67 8.01 -1.26 -4.76 117.44 118.54 2jor n TRP 56 Ca 0.09 1.35 0.00 0.00 -1.31 0.00 0.00 57.50 57.63 2jor n TRP 56 Cb 0.66 -2.35 0.00 0.00 -2.01 0.00 0.00 31.31 27.61 2jor n TRP 56 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 2jor n HIS 57 N -3.54 0.00 -1.29 -5.99 -0.00 -1.13 -4.61 115.22 98.66 2jor n HIS 57 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.73 2jor n HIS 57 Cb 0.63 0.04 -0.02 0.00 -0.00 0.00 0.00 29.99 30.64 2jor n HIS 57 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jor n HIS 58 N -2.47 -3.51 0.14 1.57 -0.00 -1.25 -4.07 115.22 105.62 2jor n HIS 58 Ca 0.00 1.91 0.00 0.00 0.46 0.00 0.00 57.72 60.09 2jor n HIS 58 Cb 0.00 -3.07 0.00 0.00 -0.12 0.00 0.00 29.99 26.80 2jor n HIS 58 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2jor n THR 59 N -2.83 0.00 -3.67 3.57 -1.04 -1.25 -4.78 114.28 104.28 2jor n THR 59 Ca -0.02 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 2jor n THR 59 Cb 0.45 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.87 2jor n THR 59 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2jor s PHE 60 N -2.00 3.31 0.20 -1.42 0.08 -1.26 -4.55 117.98 112.35 2jor s PHE 60 Ca 0.00 0.22 -0.08 0.00 0.12 0.00 0.00 56.93 57.19 2jor s PHE 60 Cb 0.00 -2.26 0.13 0.00 -0.57 0.00 0.00 43.02 40.32 2jor s PHE 60 CO 0.00 0.07 1.72 -1.00 -0.10 0.00 0.00 175.22 175.91 2jor h PRO 61 N 7.50 1.13 -2.15 0.24 0.13 -1.87 -3.12 132.00 133.85 2jor h PRO 61 Ca -0.38 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 2jor h PRO 61 Cb 1.17 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2jor h PRO 61 CO 0.66 0.99 0.06 0.43 -0.23 0.00 0.00 178.00 179.91 2jor n SER 62 N -4.23 1.21 -2.54 1.44 7.64 -1.26 -4.71 113.62 111.17 2jor n SER 62 Ca 0.05 -1.40 -0.02 0.00 1.01 0.00 0.00 58.87 58.51 2jor n SER 62 Cb 0.26 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2jor n SER 62 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jor n ARG 63 N 2.08 -3.61 0.00 1.43 0.63 -1.18 -4.99 116.66 111.02 2jor n ARG 63 Ca 0.02 2.71 0.00 0.00 -0.92 0.00 0.00 57.85 59.66 2jor n ARG 63 Cb 0.13 -3.62 0.00 0.00 0.45 0.00 0.00 32.46 29.43 2jor n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jor n GLY 64 N 1.95 0.25 3.33 5.14 0.00 -1.23 -5.00 105.19 109.63 2jor n GLY 64 Ca -0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 2jor n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jor s ASN 65 N -1.41 -0.30 0.00 1.61 -0.87 -1.26 -4.95 114.94 107.76 2jor s ASN 65 Ca 0.00 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 2jor s ASN 65 Cb 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.69 2jor s ASN 65 CO 0.00 -0.77 0.00 -0.11 -2.57 0.00 0.00 177.10 173.65 2jor n LEU 66 N 0.12 0.00 -0.84 0.60 7.94 -1.26 -3.82 117.00 119.74 2jor n LEU 66 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 2jor n LEU 66 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 2jor n LEU 66 CO 0.18 0.00 0.28 -0.90 -1.11 0.00 0.00 177.39 175.84 2jor n ASP 67 N 0.00 1.56 -0.24 1.96 5.75 -1.26 -2.85 116.55 121.46 2jor n ASP 67 Ca 0.00 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2jor n ASP 67 Cb 0.00 -0.33 0.13 0.00 -1.03 0.00 0.00 41.12 39.88 2jor n ASP 67 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2jor h ASP 68 N 0.57 0.52 -0.24 -1.12 5.19 -1.96 -3.32 116.42 116.05 2jor h ASP 68 Ca 0.00 0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.25 2jor h ASP 68 Cb 0.55 -0.05 -0.28 0.00 0.18 0.00 0.00 39.33 39.74 2jor h ASP 68 CO 0.00 0.31 -0.72 0.49 -3.12 0.00 0.00 179.24 176.21 2jor n PHE 69 N -4.82 -0.36 -1.53 4.55 3.72 -1.26 -5.06 117.46 112.70 2jor n PHE 69 Ca 0.10 -1.96 -0.44 0.00 -0.05 0.00 0.00 57.45 55.10 2jor n PHE 69 Cb 0.24 0.63 -0.05 0.00 -0.94 0.00 0.00 39.48 39.36 2jor n PHE 69 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2jor n PHE 70 N -1.02 1.62 -2.49 1.38 -1.74 -1.25 -4.48 117.46 109.48 2jor n PHE 70 Ca -0.05 0.10 -0.01 0.00 -0.56 0.00 0.00 57.45 56.94 2jor n PHE 70 Cb 0.84 -2.62 0.05 0.00 1.52 0.00 0.00 39.48 39.27 2jor n PHE 70 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2jor n HIS 71 N 11.96 -0.88 -0.64 2.97 -0.00 -1.26 -4.97 115.22 122.40 2jor n HIS 71 Ca 0.38 -0.75 -0.31 0.00 0.46 0.00 0.00 57.72 57.49 2jor n HIS 71 Cb 0.37 0.96 0.19 0.00 -0.12 0.00 0.00 29.99 31.39 2jor n HIS 71 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2jor n ARG 72 N -0.66 -1.66 -2.13 1.57 1.85 -1.25 -4.77 116.66 109.61 2jor n ARG 72 Ca -0.09 -0.46 -0.41 0.00 -1.00 0.00 0.00 57.85 55.89 2jor n ARG 72 Cb 0.66 -1.83 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2jor n ARG 72 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2jor s ASP 73 N -2.00 5.81 0.20 2.89 -1.08 -1.24 -4.85 116.67 116.41 2jor s ASP 73 Ca 0.59 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 2jor s ASP 73 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2jor s ASP 73 CO 0.66 -1.86 0.00 0.29 0.52 0.00 0.00 175.17 174.78 2jor n LYS 74 N 8.63 0.47 -3.65 4.34 5.02 -1.26 -4.41 118.16 127.29 2jor n LYS 74 Ca 0.20 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 2jor n LYS 74 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.54 2jor n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jor n ASP 75 N -0.61 -3.15 -4.12 4.39 2.03 -1.26 -4.81 116.55 109.02 2jor n ASP 75 Ca 0.00 -0.88 -0.42 0.00 0.52 0.00 0.00 54.79 54.01 2jor n ASP 75 Cb 0.00 -3.94 -0.01 0.00 -0.72 0.00 0.00 41.12 36.45 2jor n ASP 75 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jor n ASP 76 N -2.96 4.17 0.19 1.67 8.00 -1.26 -4.03 116.55 122.33 2jor n ASP 76 Ca -0.21 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.44 2jor n ASP 76 Cb 0.64 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2jor n ASP 76 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jor n PHE 77 N 7.64 -4.15 -3.78 1.24 3.72 -1.26 -5.05 117.46 115.83 2jor n PHE 77 Ca 0.50 1.27 -0.25 0.00 -0.05 0.00 0.00 57.45 58.93 2jor n PHE 77 Cb 0.42 3.17 0.02 0.00 -0.94 0.00 0.00 39.48 42.15 2jor n PHE 77 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2jor n PHE 78 N -3.31 -1.82 -0.85 1.38 3.72 -1.26 -5.32 117.46 110.01 2jor n PHE 78 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 2jor n PHE 78 Cb 0.00 -3.96 0.00 0.00 -0.94 0.00 0.00 39.48 34.58 2jor n PHE 78 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34