#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor n ILE 2 N 0.00 -6.61 -1.71 2.02 5.41 -1.26 -4.82 119.36 112.39 2jor n ILE 2 Ca 0.00 -0.97 -0.41 0.00 1.00 0.00 0.00 62.75 62.38 2jor n ILE 2 Cb 0.00 -4.93 -0.01 0.00 -0.71 0.00 0.00 39.64 33.99 2jor n ILE 2 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2jor n ASP 3 N -2.96 6.47 0.00 4.38 8.00 -1.26 -4.76 116.55 126.43 2jor n ASP 3 Ca -0.14 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.53 2jor n ASP 3 Cb 0.62 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2jor n ASP 3 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jor n ASN 4 N 4.17 0.00 -2.97 -2.24 5.03 -1.26 -4.97 115.26 113.02 2jor n ASN 4 Ca 0.61 0.33 -0.10 0.00 0.87 0.00 0.00 54.58 56.30 2jor n ASN 4 Cb 0.31 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.08 2jor n ASN 4 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2jor n GLU 5 N -0.47 -2.36 0.00 3.52 0.00 -1.26 -4.95 120.64 115.11 2jor n GLU 5 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 57.16 59.19 2jor n GLU 5 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 31.44 27.16 2jor n GLU 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jor n LYS 6 N 0.28 0.00 0.27 5.31 5.02 -1.26 -4.91 118.16 122.88 2jor n LYS 6 Ca 0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 2jor n LYS 6 Cb 0.36 -0.16 -0.05 0.00 -0.02 0.00 0.00 35.03 35.16 2jor n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jor h VAL 7 N 0.33 0.00 -0.13 -0.18 2.07 -2.04 -3.37 116.25 112.93 2jor h VAL 7 Ca 0.00 -0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 2jor h VAL 7 Cb 0.17 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 2jor h VAL 7 CO 0.00 0.00 1.10 0.35 0.02 0.00 0.00 177.57 179.04 2jor n THR 8 N -3.86 0.00 -3.64 2.57 -2.24 -1.26 -4.75 114.28 101.10 2jor n THR 8 Ca -0.09 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 2jor n THR 8 Cb 0.27 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 2jor n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jor s SER 9 N 4.53 -0.55 0.07 3.42 0.01 -1.26 -5.09 113.70 114.82 2jor s SER 9 Ca 1.06 0.99 0.00 0.00 1.31 0.00 0.00 55.95 59.30 2jor s SER 9 Cb -0.48 1.08 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2jor s SER 9 CO 0.33 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2jor n GLY 10 N 2.87 -5.79 0.37 3.44 0.00 -1.26 -4.75 105.19 100.06 2jor n GLY 10 Ca -0.15 0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2jor n GLY 10 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2jor h HIS 11 N 4.33 1.01 -1.51 1.61 2.76 -1.98 -3.45 115.15 117.92 2jor h HIS 11 Ca 0.00 0.03 0.27 0.00 -2.20 0.00 0.00 60.37 58.46 2jor h HIS 11 Cb 0.00 -0.33 -0.17 0.00 1.55 0.00 0.00 27.41 28.46 2jor h HIS 11 CO 0.00 0.49 0.80 -0.08 -1.30 0.00 0.00 177.93 177.84 2jor s THR 12 N -5.86 0.00 -0.29 6.26 -1.32 -1.26 -5.18 115.64 107.99 2jor s THR 12 Ca -0.11 -0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 2jor s THR 12 Cb 0.21 -1.28 0.14 0.00 -1.51 0.00 0.00 72.50 70.06 2jor s THR 12 CO 0.80 0.00 1.10 0.28 -2.21 0.00 0.00 174.62 174.59 2jor s THR 13 N -2.46 0.00 0.30 5.08 -1.32 -1.26 -5.15 115.64 110.82 2jor s THR 13 Ca 0.11 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.37 2jor s THR 13 Cb 0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2jor s THR 13 CO -0.04 0.00 0.82 -0.89 -2.21 0.00 0.00 174.62 172.30 2jor s THR 14 N 0.45 4.45 -0.09 5.08 2.01 -1.26 -5.07 115.64 121.22 2jor s THR 14 Ca 0.01 1.43 -0.05 0.00 0.31 0.00 0.00 61.69 63.39 2jor s THR 14 Cb -0.05 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.67 2jor s THR 14 CO -0.10 0.06 0.21 0.28 -0.69 0.00 0.00 174.62 174.38 2jor s THR 15 N -1.71 -0.04 0.04 -0.82 -1.32 -1.26 -5.16 115.64 105.37 2jor s THR 15 Ca 0.49 0.15 -0.17 0.00 -1.21 0.00 0.00 61.69 60.95 2jor s THR 15 Cb -0.15 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 2jor s THR 15 CO 0.20 0.06 0.39 0.00 -2.21 0.00 0.00 174.62 173.06 2jor s ARG 16 N 1.17 0.88 0.00 7.08 1.70 -1.26 -4.97 118.95 123.55 2jor s ARG 16 Ca -0.09 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 2jor s ARG 16 Cb -0.10 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2jor s ARG 16 CO -0.07 -0.29 0.00 -2.13 -1.08 0.00 0.00 175.30 171.72 2jor n ARG 17 N 0.58 0.00 -0.43 3.89 0.63 -1.26 -4.83 116.66 115.25 2jor n ARG 17 Ca -0.19 0.00 0.36 0.00 -0.92 0.00 0.00 57.85 57.10 2jor n ARG 17 Cb 0.59 0.00 0.55 0.00 0.45 0.00 0.00 32.46 34.06 2jor n ARG 17 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jor n SER 18 N 2.06 0.00 -4.03 6.15 7.64 -1.26 -3.60 113.62 120.57 2jor n SER 18 Ca 0.00 0.75 -0.10 0.00 1.01 0.00 0.00 58.87 60.53 2jor n SER 18 Cb 0.00 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 2jor n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jor s SER 20 N -3.03 6.50 -0.18 0.00 0.01 -1.26 -4.54 113.70 111.20 2jor s SER 20 Ca 0.24 2.44 -0.01 0.00 1.31 0.00 0.00 55.95 59.93 2jor s SER 20 Cb 0.03 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2jor s SER 20 CO 0.05 -1.04 -0.03 -0.54 0.41 0.00 0.00 173.24 172.09 2jor s LYS 21 N 4.36 1.27 -0.15 12.44 1.02 -0.92 -4.57 119.74 133.19 2jor s LYS 21 Ca 0.82 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2jor s LYS 21 Cb -0.38 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2jor s LYS 21 CO 0.36 -0.51 -0.10 0.08 -0.92 0.00 0.00 175.35 174.27 2jor s VAL 22 N 1.65 1.33 -0.27 3.17 1.01 -1.22 -1.83 120.40 124.24 2jor s VAL 22 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2jor s VAL 22 Cb -0.16 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 34.92 2jor s VAL 22 CO -0.07 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.64 2jor s ILE 23 N 1.57 2.42 -0.22 2.22 1.09 -1.06 -4.24 121.20 122.98 2jor s ILE 23 Ca 0.03 -1.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.02 2jor s ILE 23 Cb -0.14 -2.42 0.06 0.00 -1.06 0.00 0.00 42.46 38.90 2jor s ILE 23 CO -0.09 -0.06 -0.05 0.42 -0.10 0.00 0.00 174.94 175.06 2jor s THR 24 N 1.15 1.38 -0.27 2.92 -4.23 -1.25 -1.59 115.64 113.74 2jor s THR 24 Ca -0.08 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2jor s THR 24 Cb -0.20 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.06 2jor s THR 24 CO -0.04 -0.07 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.39 2jor s LYS 25 N 1.47 1.72 -0.24 3.99 1.02 0.09 -4.57 119.74 123.23 2jor s LYS 25 Ca -0.04 -1.29 -0.06 0.00 0.02 0.00 0.00 55.97 54.60 2jor s LYS 25 Cb -0.18 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2jor s LYS 25 CO -0.07 -0.69 0.03 0.95 -0.92 0.00 0.00 175.35 174.66 2jor s THR 26 N 1.22 4.03 -0.36 2.17 -4.23 -1.26 -1.85 115.64 115.36 2jor s THR 26 Ca -0.02 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.13 2jor s THR 26 Cb -0.19 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.81 2jor s THR 26 CO -0.08 0.37 0.17 -0.69 -0.54 0.00 0.00 174.62 173.85 2jor s VAL 27 N 1.51 4.28 -0.44 2.29 1.01 -0.96 -4.82 120.40 123.26 2jor s VAL 27 Ca 0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2jor s VAL 27 Cb -0.15 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.90 2jor s VAL 27 CO 0.02 -0.22 0.32 -0.89 0.00 0.00 0.00 175.10 174.32 2jor s THR 28 N 1.50 4.73 -0.30 3.92 2.01 -1.26 -2.86 115.64 123.38 2jor s THR 28 Ca 0.01 -1.18 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 2jor s THR 28 Cb -0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2jor s THR 28 CO 0.05 -0.51 0.22 0.21 -0.69 0.00 0.00 174.62 173.91 2jor s ASN 29 N 2.26 6.05 0.13 3.53 3.04 -0.96 -4.93 114.94 124.07 2jor s ASN 29 Ca 0.03 -0.11 0.04 0.00 0.04 0.00 0.00 52.86 52.86 2jor s ASN 29 Cb -0.23 -2.13 0.19 0.00 -1.54 0.00 0.00 41.25 37.54 2jor s ASN 29 CO 0.05 -0.12 0.87 0.00 -3.04 0.00 0.00 177.10 174.86 2jor n ALA 30 N 5.10 0.42 1.01 1.71 0.00 -1.26 0.03 120.51 127.52 2jor n ALA 30 Ca -0.13 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.44 2jor n ALA 30 Cb 0.51 -0.47 0.52 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.50 0.00 0.00 0.00 9.92 -1.26 -4.81 116.55 118.90 2jor n ASP 31 Ca -0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 2jor n ASP 31 Cb 0.35 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.37 0.81 3.92 0.44 0.00 0.10 -5.09 105.19 105.75 2jor n GLY 32 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.80 3.55 -0.30 1.61 0.52 -1.10 -4.99 118.95 117.43 2jor s ARG 33 Ca 0.00 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2jor s ARG 33 Cb 0.00 -2.79 0.16 0.00 0.52 0.00 0.00 34.95 32.84 2jor s ARG 33 CO 0.00 0.35 0.62 -0.08 0.02 0.00 0.00 175.30 176.21 2jor s THR 34 N -1.93 -0.99 0.08 0.02 -1.32 -1.26 -2.26 115.64 107.98 2jor s THR 34 Ca 0.40 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.95 2jor s THR 34 Cb -0.11 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 2jor s THR 34 CO 0.29 -0.00 -0.14 -0.70 -2.21 0.00 0.00 174.62 171.86 2jor s GLU 35 N 2.87 2.05 -0.18 7.08 2.12 -1.13 -5.00 118.70 126.50 2jor s GLU 35 Ca 0.09 -1.03 -0.02 0.00 0.36 0.00 0.00 54.97 54.37 2jor s GLU 35 Cb -0.14 -2.23 0.05 0.00 0.26 0.00 0.00 34.13 32.07 2jor s GLU 35 CO -0.20 0.52 -0.00 0.99 -0.54 0.00 0.00 175.26 176.03 2jor s THR 36 N -1.09 0.79 -0.41 -1.70 2.01 -1.26 -2.27 115.64 111.71 2jor s THR 36 Ca 0.18 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 2jor s THR 36 Cb -0.11 -1.15 0.05 0.00 0.01 0.00 0.00 72.50 71.30 2jor s THR 36 CO 0.10 -0.06 0.26 -0.89 -0.69 0.00 0.00 174.62 173.34 2jor s THR 37 N 1.75 4.64 0.13 -0.82 2.01 -0.77 -4.99 115.64 117.59 2jor s THR 37 Ca -0.01 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.03 2jor s THR 37 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2jor s THR 37 CO -0.07 -0.38 -0.19 -1.59 -0.69 0.00 0.00 174.62 171.70 2jor s LYS 38 N 1.54 1.16 -0.42 4.92 -2.85 -1.25 -0.73 119.74 122.11 2jor s LYS 38 Ca 0.03 -1.25 0.02 0.00 -1.00 0.00 0.00 55.97 53.76 2jor s LYS 38 Cb -0.21 -1.29 0.19 0.00 -2.06 0.00 0.00 37.83 34.46 2jor s LYS 38 CO 0.06 0.28 0.82 -2.00 0.10 0.00 0.00 175.35 174.61 2jor s GLU 39 N -2.32 0.68 -0.32 1.78 2.56 -0.62 -4.96 118.70 115.50 2jor s GLU 39 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 54.97 54.41 2jor s GLU 39 Cb -0.08 0.02 -0.01 0.00 2.00 0.00 0.00 34.13 36.06 2jor s GLU 39 CO 0.05 -0.90 0.54 0.08 -0.56 0.00 0.00 175.26 174.47 2jor s VAL 40 N 1.41 5.01 -0.24 3.70 1.01 -1.26 -2.55 120.40 127.47 2jor s VAL 40 Ca 0.21 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2jor s VAL 40 Cb 0.02 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.54 2jor s VAL 40 CO -0.08 -0.12 0.07 -0.69 0.00 0.00 0.00 175.10 174.27 2jor s VAL 41 N 2.43 0.55 -0.11 2.92 1.01 -0.76 -5.04 120.40 121.39 2jor s VAL 41 Ca 0.21 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2jor s VAL 41 Cb -0.15 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 2jor s VAL 41 CO 0.12 -0.43 -0.21 -0.54 0.00 0.00 0.00 175.10 174.05 2jor s LYS 42 N 1.82 3.13 0.00 2.72 1.02 -1.26 -2.16 119.74 125.01 2jor s LYS 42 Ca 0.04 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2jor s LYS 42 Cb -0.17 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2jor s LYS 42 CO -0.17 0.15 0.00 0.45 -0.92 0.00 0.00 175.35 174.86 2jor n SER 43 N 3.62 0.00 -3.12 2.83 2.88 -1.24 -5.02 113.62 113.57 2jor n SER 43 Ca -0.19 -0.66 -0.19 0.00 -1.33 0.00 0.00 58.87 56.50 2jor n SER 43 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2jor n SER 43 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jor n GLU 44 N -0.66 0.87 -3.31 -1.46 0.00 -1.26 -5.00 120.64 109.82 2jor n GLU 44 Ca 0.00 -3.09 -0.25 0.00 0.00 0.00 0.00 57.16 53.82 2jor n GLU 44 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 31.44 29.90 2jor n GLU 44 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2jor n ASP 45 N 0.79 -0.56 -1.66 -1.84 5.68 -1.26 -5.08 116.55 112.61 2jor n ASP 45 Ca 0.21 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 2jor n ASP 45 Cb 0.61 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 2.56 -4.76 3.61 6.12 0.00 -1.26 -4.74 105.19 106.72 2jor n GLY 46 Ca 0.27 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2jor n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jor s SER 47 N -3.00 6.75 -0.39 1.61 0.01 -1.26 -4.89 113.70 112.53 2jor s SER 47 Ca 0.00 0.70 0.11 0.00 1.31 0.00 0.00 55.95 58.07 2jor s SER 47 Cb 0.00 -2.52 0.35 0.00 0.21 0.00 0.00 66.02 64.05 2jor s SER 47 CO 0.00 -1.01 0.84 0.47 0.41 0.00 0.00 173.24 173.95 2jor n ASP 48 N 7.20 0.06 -4.29 2.44 9.92 -1.26 -5.04 116.55 125.57 2jor n ASP 48 Ca 0.11 -3.16 -0.29 0.00 -0.53 0.00 0.00 54.79 50.92 2jor n ASP 48 Cb 0.48 0.02 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 2jor n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jor n GLY 50 N 2.12 2.22 0.05 0.00 0.00 -1.26 -4.59 105.19 103.72 2jor n GLY 50 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2jor n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jor n ASP 51 N 0.14 0.13 0.00 1.61 9.92 -1.26 -3.58 116.55 123.51 2jor n ASP 51 Ca 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2jor n ASP 51 Cb 0.00 1.46 0.00 0.00 -0.64 0.00 0.00 41.12 41.94 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 -2.40 0.55 -1.00 2.24 0.00 -1.26 0.17 120.51 118.81 2jor n ALA 52 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jor n ALA 52 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2jor n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jor n ASP 53 N -1.99 0.00 -3.33 0.00 9.92 -1.19 -4.45 116.55 115.51 2jor n ASP 53 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 2jor n ASP 53 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2jor n ASP 53 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2jor n PHE 54 N 0.00 -0.20 -1.05 1.24 1.16 -1.21 -3.91 117.46 113.49 2jor n PHE 54 Ca 0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 55.08 2jor n PHE 54 Cb 0.00 0.22 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 2jor n PHE 54 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2jor n ASP 55 N -0.85 -6.16 0.00 5.98 -0.08 -1.26 -4.68 116.55 109.49 2jor n ASP 55 Ca 0.04 0.77 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 2jor n ASP 55 Cb 0.46 -2.51 0.00 0.00 2.34 0.00 0.00 41.12 41.42 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 -0.15 0.00 -3.02 -0.67 7.02 -1.26 -4.70 117.44 114.66 2jor n TRP 56 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2jor n TRP 56 Cb 0.00 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2jor n TRP 56 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jor n HIS 57 N 0.00 -1.22 -4.38 -5.99 8.25 -1.26 -3.39 115.22 107.23 2jor n HIS 57 Ca 0.00 0.60 -0.25 0.00 -0.26 0.00 0.00 57.72 57.81 2jor n HIS 57 Cb 0.00 -1.87 -0.12 0.00 1.12 0.00 0.00 29.99 29.12 2jor n HIS 57 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jor s HIS 58 N -0.87 2.11 0.34 4.41 -3.43 -1.26 -4.15 115.29 112.44 2jor s HIS 58 Ca -0.03 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 2jor s HIS 58 Cb 0.00 -1.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.08 2jor s HIS 58 CO 0.23 0.40 0.00 2.41 -2.00 0.00 0.00 174.74 175.78 2jor n THR 59 N 0.45 -7.81 -1.27 -5.38 -1.04 -1.26 -4.69 114.28 93.27 2jor n THR 59 Ca -0.14 2.88 -0.33 0.00 -2.04 0.00 0.00 64.05 64.42 2jor n THR 59 Cb 0.56 -4.02 0.11 0.00 -1.82 0.00 0.00 70.33 65.16 2jor n THR 59 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2jor s PHE 60 N -1.64 2.03 0.31 -1.42 -0.12 -1.26 -4.46 117.98 111.42 2jor s PHE 60 Ca 0.00 1.64 0.03 0.00 -0.05 0.00 0.00 56.93 58.55 2jor s PHE 60 Cb 0.00 -3.39 0.62 0.00 -0.63 0.00 0.00 43.02 39.62 2jor s PHE 60 CO 0.00 -2.53 1.86 -1.00 -0.05 0.00 0.00 175.22 173.50 2jor h PRO 61 N -0.69 0.89 -1.52 1.99 0.13 -1.89 0.59 132.00 131.49 2jor h PRO 61 Ca -0.46 -0.05 0.48 0.00 -0.87 0.00 0.00 66.00 65.10 2jor h PRO 61 Cb 1.28 -0.20 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 2jor h PRO 61 CO 0.48 0.59 1.03 0.66 -0.23 0.00 0.00 178.00 180.53 2jor h SER 62 N 0.92 0.15 -0.04 1.44 4.64 -1.90 -1.97 113.55 116.79 2jor h SER 62 Ca 0.46 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.71 2jor h SER 62 Cb 0.50 0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 62.38 2jor h SER 62 CO -0.23 -0.14 -0.77 -1.14 -0.87 0.00 0.00 176.83 173.68 2jor n ARG 63 N -4.46 0.26 -0.33 4.77 0.00 -0.68 -5.11 116.66 111.11 2jor n ARG 63 Ca 0.40 -1.80 0.00 0.00 -0.00 0.00 0.00 57.85 56.44 2jor n ARG 63 Cb 1.63 0.01 0.00 0.00 0.00 0.00 0.00 32.46 34.10 2jor n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jor n GLY 64 N 0.11 0.03 0.38 5.14 0.00 0.20 -4.82 105.19 106.22 2jor n GLY 64 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2jor n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jor n ASN 65 N -2.65 0.00 -0.33 1.61 0.23 -1.26 -4.93 115.26 107.93 2jor n ASN 65 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.20 2jor n ASN 65 Cb 0.00 0.10 0.38 0.00 -2.08 0.00 0.00 39.78 38.17 2jor n ASN 65 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2jor h LEU 66 N 0.00 0.68 -0.37 -4.53 5.85 -1.95 -3.47 115.31 111.52 2jor h LEU 66 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jor h LEU 66 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2jor h LEU 66 CO 0.00 0.24 0.00 -0.67 -0.34 0.00 0.00 178.44 177.67 2jor n ASP 67 N -4.69 -1.90 -4.31 1.25 -0.08 -1.26 -4.93 116.55 100.63 2jor n ASP 67 Ca 0.22 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.14 2jor n ASP 67 Cb 0.62 0.21 0.05 0.00 2.34 0.00 0.00 41.12 44.33 2jor n ASP 67 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jor n ASP 68 N -0.29 -2.91 -3.00 1.67 9.92 -1.26 -4.79 116.55 115.89 2jor n ASP 68 Ca 0.00 0.52 -0.07 0.00 -0.53 0.00 0.00 54.79 54.71 2jor n ASP 68 Cb 0.00 -1.02 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 2jor n ASP 68 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jor s PHE 69 N -1.97 -1.19 0.25 1.24 0.08 -1.26 -5.00 117.98 110.13 2jor s PHE 69 Ca 0.58 -0.62 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 2jor s PHE 69 Cb -0.35 0.10 -0.14 0.00 -0.57 0.00 0.00 43.02 42.06 2jor s PHE 69 CO 0.66 -1.17 1.23 1.19 -0.10 0.00 0.00 175.22 177.02 2jor n PHE 70 N 3.39 1.75 -1.52 0.36 3.72 -1.26 -4.55 117.46 119.35 2jor n PHE 70 Ca 0.17 0.58 0.10 0.00 -0.05 0.00 0.00 57.45 58.26 2jor n PHE 70 Cb 0.54 -2.36 -0.06 0.00 -0.94 0.00 0.00 39.48 36.67 2jor n PHE 70 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2jor n HIS 71 N 1.12 -4.05 0.00 1.38 8.25 -1.26 -4.95 115.22 115.71 2jor n HIS 71 Ca 0.11 2.22 0.00 0.00 -0.26 0.00 0.00 57.72 59.79 2jor n HIS 71 Cb 0.31 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 27.86 2jor n HIS 71 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jor n ARG 72 N -3.66 0.00 -3.65 -0.41 5.12 -1.26 -4.62 116.66 108.17 2jor n ARG 72 Ca -0.06 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.82 2jor n ARG 72 Cb 0.60 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.84 2jor n ARG 72 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2jor s ASP 73 N 0.00 -0.74 -0.13 0.55 -4.77 -1.25 -3.32 116.67 107.01 2jor s ASP 73 Ca 0.00 1.31 -0.23 0.00 -3.30 0.00 0.00 52.55 50.33 2jor s ASP 73 Cb 0.00 1.84 -0.03 0.00 -1.09 0.00 0.00 42.92 43.64 2jor s ASP 73 CO 0.00 -0.23 0.70 -0.75 0.70 0.00 0.00 175.17 175.60 2jor s LYS 74 N 2.71 4.34 0.00 2.11 2.20 0.46 -4.75 119.74 126.81 2jor s LYS 74 Ca -0.04 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2jor s LYS 74 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2jor s LYS 74 CO -0.16 -0.11 0.00 -0.25 -0.36 0.00 0.00 175.35 174.47 2jor n ASP 75 N 4.47 0.00 0.00 1.43 8.00 -1.26 -4.35 116.55 124.84 2jor n ASP 75 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jor n ASP 75 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2jor n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jor n ASP 76 N -1.10 0.00 -3.86 -2.24 8.00 -1.26 -5.11 116.55 110.98 2jor n ASP 76 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2jor n ASP 76 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 2jor n ASP 76 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jor s PHE 77 N -1.52 0.46 -0.73 1.24 0.08 -1.26 -4.79 117.98 111.46 2jor s PHE 77 Ca 0.00 0.59 -0.26 0.00 0.12 0.00 0.00 56.93 57.38 2jor s PHE 77 Cb 0.00 -3.31 -0.08 0.00 -0.57 0.00 0.00 43.02 39.07 2jor s PHE 77 CO 0.00 -4.02 2.19 -0.06 -0.10 0.00 0.00 175.22 173.23 2jor s PHE 78 N -2.83 1.39 0.00 0.36 0.08 -1.26 -5.28 117.98 110.45 2jor s PHE 78 Ca 0.70 1.33 0.00 0.00 0.12 0.00 0.00 56.93 59.07 2jor s PHE 78 Cb -0.12 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 2jor s PHE 78 CO 0.57 -1.95 0.00 0.25 -0.10 0.00 0.00 175.22 173.99