#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor h ILE 2 N 0.00 1.20 0.00 3.17 2.10 -2.09 -3.45 117.51 118.44 2jor h ILE 2 Ca 0.00 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 65.07 2jor h ILE 2 Cb 0.00 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2jor h ILE 2 CO 0.00 0.28 0.00 0.47 -1.08 0.00 0.00 178.15 177.82 2jor n ASP 3 N -4.25 0.00 -3.67 2.19 9.92 -1.26 -4.80 116.55 114.69 2jor n ASP 3 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 2jor n ASP 3 Cb 0.28 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.80 2jor n ASP 3 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jor n ASN 4 N 7.20 -2.95 0.00 -2.24 5.15 -1.26 -4.72 115.26 116.45 2jor n ASN 4 Ca 0.00 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 2jor n ASN 4 Cb 0.00 -3.88 0.00 0.00 -0.53 0.00 0.00 39.78 35.37 2jor n ASN 4 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jor n GLU 5 N -4.13 0.00 -0.78 1.20 4.07 -1.26 -5.16 120.64 114.58 2jor n GLU 5 Ca -0.21 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 56.99 2jor n GLU 5 Cb 0.65 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.00 2jor n GLU 5 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2jor n LYS 6 N -0.20 -1.56 0.00 5.31 5.02 -1.26 -5.02 118.16 120.45 2jor n LYS 6 Ca 0.00 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 2jor n LYS 6 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 2jor n LYS 6 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2jor n VAL 7 N -2.55 0.00 -0.00 -0.18 0.24 -1.26 -5.02 118.33 109.56 2jor n VAL 7 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 2jor n VAL 7 Cb 0.35 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 2jor n VAL 7 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2jor h THR 8 N 0.00 0.00 -2.46 3.34 1.35 -2.06 -3.47 112.91 109.62 2jor h THR 8 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.03 2jor h THR 8 Cb 0.00 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.37 2jor h THR 8 CO 0.00 0.00 0.56 -0.55 -0.25 0.00 0.00 175.52 175.28 2jor s SER 9 N -2.84 -0.04 0.00 5.36 0.15 -1.26 -4.99 113.70 110.07 2jor s SER 9 Ca -0.02 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2jor s SER 9 Cb 0.01 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2jor s SER 9 CO 0.08 -0.96 1.13 0.61 1.20 0.00 0.00 173.24 175.29 2jor n GLY 10 N -0.63 1.80 7.00 9.45 0.00 -1.26 -4.94 105.19 116.61 2jor n GLY 10 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jor n GLY 10 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jor n HIS 11 N 1.03 0.00 -1.54 1.61 8.25 -1.26 -4.15 115.22 119.16 2jor n HIS 11 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2jor n HIS 11 Cb 0.40 0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 2jor n HIS 11 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jor n THR 12 N 0.00 0.02 0.00 1.59 -2.24 -1.26 -4.92 114.28 107.48 2jor n THR 12 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2jor n THR 12 Cb 0.00 -2.36 0.00 0.00 -2.10 0.00 0.00 70.33 65.87 2jor n THR 12 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2jor n THR 13 N 7.82 0.00 -3.65 4.28 5.66 -1.26 -5.06 114.28 122.07 2jor n THR 13 Ca 0.40 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.27 2jor n THR 13 Cb 0.43 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.14 2jor n THR 13 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2jor s THR 14 N 0.00 -0.00 0.45 1.09 2.01 -1.26 -5.16 115.64 112.77 2jor s THR 14 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2jor s THR 14 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2jor s THR 14 CO 0.00 0.00 0.74 0.28 -0.69 0.00 0.00 174.62 174.95 2jor s THR 15 N 0.58 4.94 0.02 -0.82 -1.32 -1.26 -5.10 115.64 112.68 2jor s THR 15 Ca -0.02 0.10 -0.01 0.00 -1.21 0.00 0.00 61.69 60.56 2jor s THR 15 Cb -0.05 -3.86 -0.02 0.00 -1.51 0.00 0.00 72.50 67.07 2jor s THR 15 CO -0.03 -0.78 -0.01 0.00 -2.21 0.00 0.00 174.62 171.59 2jor s ARG 16 N -4.62 0.34 0.96 7.08 3.03 -1.26 -5.05 118.95 119.43 2jor s ARG 16 Ca 0.46 -0.60 0.00 0.00 2.03 0.00 0.00 55.73 57.62 2jor s ARG 16 Cb -0.10 0.12 0.00 0.00 -1.03 0.00 0.00 34.95 33.94 2jor s ARG 16 CO 0.43 -0.06 0.00 -2.13 -1.13 0.00 0.00 175.30 172.41 2jor n ARG 17 N 1.54 0.00 0.00 3.89 0.00 -1.26 -4.88 116.66 115.95 2jor n ARG 17 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 2jor n ARG 17 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2jor n ARG 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jor n SER 18 N 0.23 0.00 -4.02 6.15 7.64 -1.26 -4.66 113.62 117.69 2jor n SER 18 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2jor n SER 18 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 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 6.29 -0.10 0.00 1.04 -1.26 -4.55 113.70 112.10 2jor s SER 20 Ca 0.24 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 58.65 2jor s SER 20 Cb 0.03 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.65 2jor s SER 20 CO 0.06 -1.27 -0.02 -0.54 0.98 0.00 0.00 173.24 172.45 2jor s LYS 21 N 4.80 0.87 -0.19 4.02 -0.14 -0.96 -4.13 119.74 124.00 2jor s LYS 21 Ca 0.80 -0.05 0.01 0.00 -1.36 0.00 0.00 55.97 55.36 2jor s LYS 21 Cb -0.31 -1.27 0.04 0.00 -1.68 0.00 0.00 37.83 34.61 2jor s LYS 21 CO 0.33 -0.33 -0.10 0.08 -0.76 0.00 0.00 175.35 174.57 2jor s VAL 22 N 1.88 1.53 -0.24 3.17 1.01 -1.26 -1.56 120.40 124.94 2jor s VAL 22 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2jor s VAL 22 Cb -0.13 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.70 2jor s VAL 22 CO -0.06 0.18 -0.01 -0.51 0.00 0.00 0.00 175.10 174.71 2jor s ILE 23 N 1.45 1.26 -0.07 2.22 2.07 -1.02 -4.29 121.20 122.82 2jor s ILE 23 Ca -0.00 -1.17 0.02 0.00 -1.41 0.00 0.00 60.65 58.09 2jor s ILE 23 Cb -0.16 -1.66 0.01 0.00 0.13 0.00 0.00 42.46 40.78 2jor s ILE 23 CO -0.08 -0.24 -0.11 0.28 -1.91 0.00 0.00 174.94 172.88 2jor s THR 24 N 1.50 1.09 -0.29 4.00 -1.32 -1.26 -2.22 115.64 117.13 2jor s THR 24 Ca -0.02 -0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 2jor s THR 24 Cb -0.18 -1.01 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 2jor s THR 24 CO -0.09 0.35 -0.04 -0.54 -2.21 0.00 0.00 174.62 172.09 2jor s LYS 25 N 0.79 2.01 -0.22 7.08 1.02 0.19 -4.66 119.74 125.95 2jor s LYS 25 Ca -0.12 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.32 2jor s LYS 25 Cb -0.15 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2jor s LYS 25 CO 0.02 -0.71 -0.08 0.99 -0.92 0.00 0.00 175.35 174.65 2jor s THR 26 N 1.05 2.94 -0.35 2.17 2.01 -1.26 -1.14 115.64 121.06 2jor s THR 26 Ca -0.02 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 2jor s THR 26 Cb -0.20 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 69.98 2jor s THR 26 CO -0.06 0.39 0.15 -0.69 -0.69 0.00 0.00 174.62 173.73 2jor s VAL 27 N 1.40 4.16 -0.48 3.82 1.01 -0.95 -4.46 120.40 124.90 2jor s VAL 27 Ca 0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2jor s VAL 27 Cb -0.15 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.98 2jor s VAL 27 CO -0.06 -0.19 0.42 -0.89 0.00 0.00 0.00 175.10 174.38 2jor s THR 28 N 1.48 5.22 -0.35 3.92 2.01 -1.26 -2.64 115.64 124.01 2jor s THR 28 Ca 0.00 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.79 2jor s THR 28 Cb -0.19 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2jor s THR 28 CO 0.05 -0.61 0.29 0.21 -0.69 0.00 0.00 174.62 173.86 2jor s ASN 29 N 2.69 6.10 0.13 3.53 3.84 -0.75 -4.93 114.94 125.56 2jor s ASN 29 Ca 0.04 -0.46 0.06 0.00 0.21 0.00 0.00 52.86 52.71 2jor s ASN 29 Cb -0.25 -2.16 0.32 0.00 -0.55 0.00 0.00 41.25 38.62 2jor s ASN 29 CO 0.07 -0.31 1.04 0.00 -2.79 0.00 0.00 177.10 175.11 2jor n ALA 30 N 5.20 0.66 1.12 1.71 0.00 -1.26 -1.37 120.51 126.57 2jor n ALA 30 Ca -0.11 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.43 2jor n ALA 30 Cb 0.49 -0.74 0.29 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.64 0.00 0.00 0.00 9.92 -1.26 -4.75 116.55 118.83 2jor n ASP 31 Ca -0.00 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 2jor n ASP 31 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 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 0.10 0.49 3.90 0.44 0.00 -0.47 -5.08 105.19 104.55 2jor n GLY 32 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 3.56 -0.28 1.61 0.52 -1.03 -5.02 118.95 117.51 2jor s ARG 33 Ca 0.00 -0.16 -0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2jor s ARG 33 Cb 0.00 -2.99 0.16 0.00 0.52 0.00 0.00 34.95 32.64 2jor s ARG 33 CO 0.00 0.57 0.54 0.95 0.02 0.00 0.00 175.30 177.38 2jor s THR 34 N -1.48 -0.87 0.00 0.02 -4.23 -1.26 -1.80 115.64 106.02 2jor s THR 34 Ca 0.34 -0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2jor s THR 34 Cb -0.13 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 2jor s THR 34 CO 0.22 -0.02 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.60 2jor s GLU 35 N 2.77 2.55 -0.17 3.99 2.02 -1.08 -5.03 118.70 123.75 2jor s GLU 35 Ca 0.12 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2jor s GLU 35 Cb -0.14 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.64 2jor s GLU 35 CO -0.19 0.60 -0.01 0.99 0.02 0.00 0.00 175.26 176.68 2jor s THR 36 N -0.99 0.81 -0.35 3.63 2.01 -1.26 -2.23 115.64 117.25 2jor s THR 36 Ca 0.17 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 2jor s THR 36 Cb -0.11 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2jor s THR 36 CO 0.07 -0.02 0.22 -0.89 -0.69 0.00 0.00 174.62 173.31 2jor s THR 37 N 1.75 4.92 -0.53 -0.82 2.01 -0.29 -4.98 115.64 117.71 2jor s THR 37 Ca -0.00 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2jor s THR 37 Cb -0.16 -3.62 0.32 0.00 0.01 0.00 0.00 72.50 69.05 2jor s THR 37 CO -0.07 -0.10 0.83 2.29 -0.69 0.00 0.00 174.62 176.87 2jor n LYS 38 N 5.06 2.41 -2.75 4.92 2.85 -1.26 -0.64 118.16 128.75 2jor n LYS 38 Ca -0.12 -4.38 -0.43 0.00 -1.05 0.00 0.00 58.31 52.33 2jor n LYS 38 Cb 0.48 -2.05 -0.02 0.00 -0.65 0.00 0.00 35.03 32.79 2jor n LYS 38 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2jor s GLU 39 N -2.87 3.65 -0.13 -1.58 2.56 -0.94 -4.96 118.70 114.43 2jor s GLU 39 Ca 0.44 -1.56 -0.04 0.00 0.00 0.00 0.00 54.97 53.82 2jor s GLU 39 Cb 0.26 -5.15 -0.03 0.00 2.00 0.00 0.00 34.13 31.21 2jor s GLU 39 CO -0.10 -1.98 0.00 0.14 -0.56 0.00 0.00 175.26 172.76 2jor s VAL 40 N 3.67 4.31 -0.23 3.70 -7.23 -1.26 -2.42 120.40 120.93 2jor s VAL 40 Ca 0.40 -0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 60.32 2jor s VAL 40 Cb -0.02 -2.86 0.07 0.00 0.56 0.00 0.00 36.38 34.13 2jor s VAL 40 CO -0.08 0.55 0.06 -0.69 -0.31 0.00 0.00 175.10 174.62 2jor s VAL 41 N -0.28 0.54 -0.08 1.32 1.01 -0.60 -5.00 120.40 117.31 2jor s VAL 41 Ca 0.06 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2jor s VAL 41 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2jor s VAL 41 CO 0.02 -0.37 -0.24 -0.54 0.00 0.00 0.00 175.10 173.98 2jor s LYS 42 N 1.83 2.84 0.28 2.72 1.02 -1.26 -2.27 119.74 124.90 2jor s LYS 42 Ca 0.02 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 2jor s LYS 42 Cb -0.17 -2.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.94 2jor s LYS 42 CO -0.15 0.27 0.38 0.45 -0.92 0.00 0.00 175.35 175.39 2jor n SER 43 N 3.26 0.33 -4.10 2.83 2.88 -1.26 -5.04 113.62 112.52 2jor n SER 43 Ca -0.18 -1.32 -0.33 0.00 -1.33 0.00 0.00 58.87 55.71 2jor n SER 43 Cb 0.53 -0.26 -0.15 0.00 -0.75 0.00 0.00 64.21 63.57 2jor n SER 43 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jor s GLU 44 N -3.54 2.51 0.37 -1.46 8.01 -1.26 -4.91 118.70 118.42 2jor s GLU 44 Ca 0.24 -1.17 0.00 0.00 0.01 0.00 0.00 54.97 54.05 2jor s GLU 44 Cb -0.01 -2.81 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 2jor s GLU 44 CO 0.16 -0.45 0.00 -0.25 0.01 0.00 0.00 175.26 174.73 2jor n ASP 45 N 4.51 -2.81 0.00 -0.19 8.00 -1.26 -5.14 116.55 119.65 2jor n ASP 45 Ca -0.16 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2jor n ASP 45 Cb 0.45 2.71 0.00 0.00 -0.02 0.00 0.00 41.12 44.26 2jor n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jor n GLY 46 N -0.75 -0.51 0.64 0.44 0.00 -1.26 -4.90 105.19 98.85 2jor n GLY 46 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.17 2jor n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jor n SER 47 N 0.00 1.62 -3.37 1.61 3.41 -1.26 -4.80 113.62 110.83 2jor n SER 47 Ca 0.00 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.29 2jor n SER 47 Cb 0.00 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2jor n SER 47 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jor n ASP 48 N 0.07 2.18 -3.89 4.04 2.03 -1.26 -5.17 116.55 114.55 2jor n ASP 48 Ca 0.05 -2.35 -0.11 0.00 0.52 0.00 0.00 54.79 52.90 2jor n ASP 48 Cb 0.35 0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 41.01 2jor n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jor n GLY 50 N 2.22 -0.46 0.00 0.00 0.00 -1.26 -4.57 105.19 101.12 2jor n GLY 50 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.15 0.00 -3.16 1.61 9.92 -1.26 -4.92 116.55 117.60 2jor n ASP 51 Ca 0.00 0.62 0.05 0.00 -0.53 0.00 0.00 54.79 54.93 2jor n ASP 51 Cb 0.00 -0.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.34 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jor s ALA 52 N -2.26 -3.33 -0.54 2.24 0.00 -1.26 -5.01 121.76 111.61 2jor s ALA 52 Ca 0.00 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 2jor s ALA 52 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2jor s ALA 52 CO 0.00 -1.43 2.28 0.16 0.00 0.00 0.00 175.76 176.77 2jor s ASP 53 N 2.93 4.59 -0.13 0.00 1.47 -1.26 -4.70 116.67 119.57 2jor s ASP 53 Ca 0.01 0.84 -0.17 0.00 1.18 0.00 0.00 52.55 54.40 2jor s ASP 53 Cb -0.10 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 39.92 2jor s ASP 53 CO -0.12 -2.83 0.44 0.12 0.68 0.00 0.00 175.17 173.47 2jor s PHE 54 N 11.64 3.50 0.45 2.11 5.36 -1.26 -2.61 117.98 137.18 2jor s PHE 54 Ca 0.90 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 2jor s PHE 54 Cb -0.16 -2.52 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 2jor s PHE 54 CO 0.23 0.17 0.00 -3.47 -1.46 0.00 0.00 175.22 170.70 2jor n ASP 55 N 3.68 -6.42 0.00 6.13 2.03 -1.18 -4.79 116.55 116.00 2jor n ASP 55 Ca -0.08 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.26 2jor n ASP 55 Cb 0.52 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 2jor n ASP 55 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2jor n TRP 56 N -3.98 0.00 -2.48 -0.67 -0.00 -1.26 -4.55 117.44 104.50 2jor n TRP 56 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.42 2jor n TRP 56 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.88 2jor n TRP 56 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 2jor n HIS 57 N -1.29 -2.85 -0.07 5.87 -0.00 -1.26 -4.38 115.22 111.23 2jor n HIS 57 Ca 0.00 1.68 0.00 0.00 -0.00 0.00 0.00 57.72 59.40 2jor n HIS 57 Cb 0.10 -2.75 0.00 0.00 -0.00 0.00 0.00 29.99 27.35 2jor n HIS 57 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jor n HIS 58 N 1.98 -1.51 -0.01 1.57 1.44 -1.26 -4.90 115.22 112.53 2jor n HIS 58 Ca -0.12 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.41 2jor n HIS 58 Cb 0.18 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.16 2jor n HIS 58 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2jor h THR 59 N -1.29 1.52 -3.64 0.61 2.02 -1.97 -3.43 112.91 106.72 2jor h THR 59 Ca 0.00 -2.42 -0.69 0.00 0.77 0.00 0.00 66.41 64.07 2jor h THR 59 Cb 0.00 3.15 -0.20 0.00 -1.74 0.00 0.00 68.15 69.35 2jor h THR 59 CO 0.00 0.64 -0.48 -0.36 0.37 0.00 0.00 175.52 175.70 2jor s PHE 60 N -2.35 3.23 0.63 3.16 0.08 -1.26 -4.90 117.98 116.57 2jor s PHE 60 Ca -0.18 -0.42 0.37 0.00 0.12 0.00 0.00 56.93 56.82 2jor s PHE 60 Cb 0.00 -2.49 2.07 0.00 -0.57 0.00 0.00 43.02 42.03 2jor s PHE 60 CO 0.75 -0.46 2.25 -1.35 -0.10 0.00 0.00 175.22 176.32 2jor h PRO 61 N 8.50 0.00 -0.51 0.24 0.11 -1.83 -3.45 132.00 135.06 2jor h PRO 61 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jor h PRO 61 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jor h PRO 61 CO 0.66 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.90 2jor n SER 62 N -3.39 -1.27 -1.38 -2.05 2.88 -1.26 -4.13 113.62 103.02 2jor n SER 62 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2jor n SER 62 Cb 0.15 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2jor n SER 62 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jor n ARG 63 N -0.58 0.00 0.00 -1.46 0.63 -1.26 -4.94 116.66 109.04 2jor n ARG 63 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jor n ARG 63 Cb 0.38 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.63 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 -1.38 0.30 7.00 5.14 0.00 -1.26 -5.05 105.19 109.94 2jor n GLY 64 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jor n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jor n ASN 65 N -0.80 -3.88 -2.21 1.61 5.15 -1.26 -4.78 115.26 109.09 2jor n ASN 65 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 2jor n ASN 65 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 2jor n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jor n LEU 66 N 0.00 -0.88 -3.48 1.20 -0.00 -1.26 -4.62 117.00 107.97 2jor n LEU 66 Ca 0.00 -2.18 -0.18 0.00 -0.00 0.00 0.00 56.01 53.66 2jor n LEU 66 Cb 0.00 0.54 -0.18 0.00 -0.00 0.00 0.00 43.42 43.79 2jor n LEU 66 CO 0.00 1.37 1.62 0.47 -0.00 0.00 0.00 177.39 180.85 2jor n ASP 67 N -0.72 -1.09 0.00 1.45 8.00 -1.26 -3.73 116.55 119.20 2jor n ASP 67 Ca -0.11 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2jor n ASP 67 Cb 0.70 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2jor n ASP 67 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jor n ASP 68 N 4.40 0.00 -4.02 -2.24 2.03 -1.26 -4.96 116.55 110.50 2jor n ASP 68 Ca 0.52 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.53 2jor n ASP 68 Cb 0.10 0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2jor n ASP 68 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jor n PHE 69 N -1.43 -1.55 0.00 -0.67 3.01 -1.24 -4.85 117.46 110.71 2jor n PHE 69 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 57.45 59.04 2jor n PHE 69 Cb 0.00 -3.35 0.00 0.00 -0.01 0.00 0.00 39.48 36.12 2jor n PHE 69 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2jor n PHE 70 N -4.50 0.00 -1.69 1.38 -0.00 -1.26 -4.55 117.46 106.84 2jor n PHE 70 Ca -0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 56.88 2jor n PHE 70 Cb 0.66 -0.23 0.05 0.00 -0.00 0.00 0.00 39.48 39.96 2jor n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 2jor s HIS 71 N -1.93 3.22 -0.30 -5.13 3.76 -1.26 -4.95 115.29 108.70 2jor s HIS 71 Ca 0.00 1.27 -0.11 0.00 -0.15 0.00 0.00 55.06 56.07 2jor s HIS 71 Cb 0.00 -2.92 0.13 0.00 1.11 0.00 0.00 32.58 30.89 2jor s HIS 71 CO 0.00 -1.20 0.68 0.50 -0.85 0.00 0.00 174.74 173.87 2jor s ARG 72 N -5.15 0.57 0.08 1.40 3.52 -1.07 -3.11 118.95 115.19 2jor s ARG 72 Ca 0.58 1.38 -0.36 0.00 -0.13 0.00 0.00 55.73 57.19 2jor s ARG 72 Cb -0.13 0.76 -0.18 0.00 -1.56 0.00 0.00 34.95 33.84 2jor s ARG 72 CO 0.54 -0.19 1.12 -0.40 -0.81 0.00 0.00 175.30 175.56 2jor n ASP 73 N 5.28 0.66 -4.72 -2.12 5.75 -1.09 -4.82 116.55 115.48 2jor n ASP 73 Ca -0.13 1.14 -0.40 0.00 -0.01 0.00 0.00 54.79 55.39 2jor n ASP 73 Cb 0.50 -1.07 0.02 0.00 -1.03 0.00 0.00 41.12 39.54 2jor n ASP 73 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2jor n LYS 74 N 1.80 2.00 -0.05 0.11 0.00 -1.26 -4.96 118.16 115.81 2jor n LYS 74 Ca 0.18 0.71 -0.03 0.00 -0.00 0.00 0.00 58.31 59.17 2jor n LYS 74 Cb 0.17 -2.48 -0.01 0.00 -0.00 0.00 0.00 35.03 32.70 2jor n LYS 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jor n ASP 75 N -0.06 1.20 -1.06 -5.58 8.00 -1.26 -5.06 116.55 112.72 2jor n ASP 75 Ca 0.07 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.20 2jor n ASP 75 Cb 0.41 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.82 -5.83 -4.80 -2.24 9.92 -1.26 -4.71 116.55 103.81 2jor n ASP 76 Ca -0.05 0.54 -0.33 0.00 -0.53 0.00 0.00 54.79 54.42 2jor n ASP 76 Cb 0.17 -3.38 0.02 0.00 -0.64 0.00 0.00 41.12 37.29 2jor n ASP 76 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jor s PHE 77 N -2.48 2.96 0.00 1.24 0.08 -1.26 -5.05 117.98 113.47 2jor s PHE 77 Ca 0.00 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2jor s PHE 77 Cb 0.00 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 2jor s PHE 77 CO 0.00 -1.18 0.00 1.19 -0.10 0.00 0.00 175.22 175.13 2jor n PHE 78 N -2.12 -2.12 -0.82 0.36 3.72 -1.26 -5.26 117.46 109.95 2jor n PHE 78 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2jor n PHE 78 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2jor n PHE 78 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34