#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s GLU 2 N 0.00 4.44 0.25 0.03 2.02 -1.26 -4.96 118.70 119.21 1jj2 s GLU 2 Ca 0.00 1.61 -0.31 0.00 0.02 0.00 0.00 54.97 56.29 1jj2 s GLU 2 Cb 0.00 -2.88 -0.14 0.00 0.10 0.00 0.00 34.13 31.22 1jj2 s GLU 2 CO 0.00 0.08 1.34 0.00 0.02 0.00 0.00 175.26 176.71 1jj2 n ALA 3 N 0.60 0.84 0.16 5.21 0.00 -1.26 -4.85 120.51 121.21 1jj2 n ALA 3 Ca 0.02 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.88 1jj2 n ALA 3 Cb 0.48 -2.23 0.24 0.00 0.00 0.00 0.00 19.45 17.94 1jj2 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jj2 h LEU 4 N 3.81 0.00 -0.34 0.00 3.38 -1.92 -3.47 115.31 116.77 1jj2 h LEU 4 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1jj2 h LEU 4 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1jj2 h LEU 4 CO 0.73 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.39 1jj2 n GLY 5 N 0.08 0.66 3.63 0.83 0.00 -1.26 -4.68 105.19 104.44 1jj2 n GLY 5 Ca -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1jj2 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 6 N -2.34 -2.09 -0.04 4.61 0.00 -1.26 -4.45 121.76 116.19 1jj2 s ALA 6 Ca 0.00 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 1jj2 s ALA 6 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1jj2 s ALA 6 CO 0.00 -0.19 0.55 -0.51 0.00 0.00 0.00 175.76 175.61 1jj2 s ASP 7 N -0.26 6.88 -0.02 0.00 1.01 -0.26 -4.93 116.67 119.10 1jj2 s ASP 7 Ca 0.05 1.05 0.08 0.00 0.71 0.00 0.00 52.55 54.44 1jj2 s ASP 7 Cb -0.04 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1jj2 s ASP 7 CO -0.09 0.08 -0.26 -0.69 0.21 0.00 0.00 175.17 174.42 1jj2 s VAL 8 N 0.02 2.04 -0.44 -1.27 1.01 -1.26 -0.90 120.40 119.60 1jj2 s VAL 8 Ca 0.29 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1jj2 s VAL 8 Cb -0.17 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1jj2 s VAL 8 CO 0.15 0.58 0.30 -0.89 0.00 0.00 0.00 175.10 175.24 1jj2 s THR 9 N -0.57 4.45 0.07 3.92 2.01 -1.25 -5.04 115.64 119.23 1jj2 s THR 9 Ca 0.09 -1.37 -0.36 0.00 0.31 0.00 0.00 61.69 60.36 1jj2 s THR 9 Cb -0.10 -3.73 -0.15 0.00 0.01 0.00 0.00 72.50 68.52 1jj2 s THR 9 CO -0.01 -0.55 1.51 0.00 -0.69 0.00 0.00 174.62 174.88 1jj2 n GLN 10 N 4.98 1.61 -0.09 4.92 3.00 -1.26 -4.81 117.38 125.73 1jj2 n GLN 10 Ca -0.10 0.58 0.06 0.00 -0.01 0.00 0.00 57.00 57.53 1jj2 n GLN 10 Cb 0.43 -2.30 0.10 0.00 0.00 0.00 0.00 30.24 28.48 1jj2 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jj2 n GLY 11 N 3.16 1.30 3.40 1.08 0.00 -1.19 -4.89 105.19 108.06 1jj2 n GLY 11 Ca 0.19 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1jj2 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jj2 s LEU 12 N -0.97 2.57 0.24 0.99 1.43 -0.13 -4.93 118.68 117.88 1jj2 s LEU 12 Ca 0.19 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1jj2 s LEU 12 Cb 0.11 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 1jj2 s LEU 12 CO 0.15 -0.07 0.10 -1.61 0.23 0.00 0.00 176.35 175.15 1jj2 s GLU 13 N -3.55 1.33 0.18 1.70 2.02 -1.26 -1.11 118.70 118.01 1jj2 s GLU 13 Ca 0.26 -1.71 -0.32 0.00 0.02 0.00 0.00 54.97 53.22 1jj2 s GLU 13 Cb -0.03 -0.11 -0.11 0.00 0.10 0.00 0.00 34.13 33.97 1jj2 s GLU 13 CO 0.11 -0.31 1.76 0.21 0.02 0.00 0.00 175.26 177.04 1jj2 s LYS 14 N -4.06 4.13 0.00 1.61 2.20 -0.54 -1.32 119.74 121.76 1jj2 s LYS 14 Ca 0.37 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 1jj2 s LYS 14 Cb 0.08 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1jj2 s LYS 14 CO 0.13 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 1jj2 n GLY 15 N 4.06 1.37 3.76 5.54 0.00 0.12 -4.97 105.19 115.08 1jj2 n GLY 15 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1jj2 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jj2 s SER 16 N -1.66 5.46 -0.20 1.61 0.01 -0.43 -4.65 113.70 113.83 1jj2 s SER 16 Ca 0.00 2.41 -0.07 0.00 1.31 0.00 0.00 55.95 59.60 1jj2 s SER 16 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1jj2 s SER 16 CO 0.00 -1.41 0.05 -0.76 0.41 0.00 0.00 173.24 171.52 1jj2 s LEU 17 N -3.75 3.55 0.17 2.44 1.43 -1.26 -1.07 118.68 120.19 1jj2 s LEU 17 Ca 0.73 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1jj2 s LEU 17 Cb -0.31 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1jj2 s LEU 17 CO 0.35 0.09 -0.04 0.27 0.23 0.00 0.00 176.35 177.24 1jj2 s ILE 18 N 0.89 0.90 0.30 -0.59 -4.36 0.65 -4.97 121.20 114.01 1jj2 s ILE 18 Ca 0.03 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.13 1jj2 s ILE 18 Cb -0.14 -2.02 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 1jj2 s ILE 18 CO 0.02 -0.59 1.03 -0.89 0.24 0.00 0.00 174.94 174.76 1jj2 s THR 19 N -3.50 3.77 -0.57 8.37 2.01 -0.62 -0.24 115.64 124.86 1jj2 s THR 19 Ca 0.21 1.66 -0.18 0.00 0.31 0.00 0.00 61.69 63.70 1jj2 s THR 19 Cb 0.05 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.66 1jj2 s THR 19 CO 0.03 0.31 0.61 0.00 -0.69 0.00 0.00 174.62 174.87 1jj2 n ALA 21 N 5.84 6.77 -3.68 0.00 0.00 -0.23 -4.81 120.51 124.40 1jj2 n ALA 21 Ca -0.11 -2.75 -0.03 0.00 0.00 0.00 0.00 53.44 50.55 1jj2 n ALA 21 Cb 0.41 -2.97 0.01 0.00 0.00 0.00 0.00 19.45 16.90 1jj2 n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jj2 n ASP 22 N 3.28 -1.69 -2.15 0.00 5.68 -1.26 -1.64 116.55 118.76 1jj2 n ASP 22 Ca 0.62 -2.34 -0.29 0.00 -0.50 0.00 0.00 54.79 52.29 1jj2 n ASP 22 Cb 0.44 2.86 0.05 0.00 -1.14 0.00 0.00 41.12 43.33 1jj2 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1jj2 n ASN 23 N -1.49 6.12 0.19 -1.12 6.94 -0.96 -4.65 115.26 120.29 1jj2 n ASN 23 Ca -0.05 -3.77 0.13 0.00 -0.02 0.00 0.00 54.58 50.87 1jj2 n ASN 23 Cb 0.48 -0.61 0.31 0.00 -2.36 0.00 0.00 39.78 37.60 1jj2 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1jj2 h THR 24 N 1.68 0.00 0.00 5.53 1.35 -1.92 -3.44 112.91 116.10 1jj2 h THR 24 Ca 0.47 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1jj2 h THR 24 Cb 1.23 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1jj2 h THR 24 CO 1.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 1jj2 n GLY 25 N 0.99 0.67 3.67 5.82 0.00 -1.26 -5.00 105.19 110.08 1jj2 n GLY 25 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1jj2 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 26 N -2.00 3.59 -0.26 4.61 0.00 -1.26 -0.92 121.76 125.53 1jj2 s ALA 26 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1jj2 s ALA 26 Cb 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 23.12 20.76 1jj2 s ALA 26 CO 0.00 -0.05 -0.21 0.54 0.00 0.00 0.00 175.76 176.04 1jj2 n ARG 27 N 3.98 0.61 -5.15 0.00 1.74 0.18 -4.57 116.66 113.45 1jj2 n ARG 27 Ca -0.16 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 1jj2 n ARG 27 Cb 0.52 -1.54 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 1jj2 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1jj2 s GLU 28 N -2.49 2.64 0.01 5.56 2.12 -1.03 -1.08 118.70 124.42 1jj2 s GLU 28 Ca -0.36 -0.85 0.08 0.00 0.36 0.00 0.00 54.97 54.20 1jj2 s GLU 28 Cb 0.12 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1jj2 s GLU 28 CO 0.54 0.40 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.91 1jj2 s LEU 29 N -0.20 2.22 -0.21 2.70 1.43 0.66 -1.04 118.68 124.24 1jj2 s LEU 29 Ca -0.02 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1jj2 s LEU 29 Cb -0.13 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1jj2 s LEU 29 CO 0.03 0.29 -0.06 -0.75 0.23 0.00 0.00 176.35 176.10 1jj2 s LYS 30 N -0.95 3.37 0.25 1.70 2.20 0.05 -0.25 119.74 126.10 1jj2 s LYS 30 Ca 0.11 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1jj2 s LYS 30 Cb -0.10 -2.97 -0.10 0.00 -1.51 0.00 0.00 37.83 33.16 1jj2 s LYS 30 CO 0.01 -0.17 1.41 0.08 -0.36 0.00 0.00 175.35 176.33 1jj2 s VAL 31 N 1.38 2.74 -0.04 4.02 1.01 -0.23 -1.64 120.40 127.64 1jj2 s VAL 31 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1jj2 s VAL 31 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1jj2 s VAL 31 CO -0.03 0.10 -0.03 -0.38 0.00 0.00 0.00 175.10 174.76 1jj2 n ILE 32 N 2.25 0.21 -3.48 2.22 5.41 -0.53 0.14 119.36 125.58 1jj2 n ILE 32 Ca 0.06 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.61 1jj2 n ILE 32 Cb 0.41 -0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 38.66 1jj2 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1jj2 s SER 33 N -4.28 -0.49 -0.21 4.38 0.01 -1.14 -4.78 113.70 107.19 1jj2 s SER 33 Ca -0.05 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 1jj2 s SER 33 Cb 0.01 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 1jj2 s SER 33 CO 0.09 -0.93 -0.07 -0.69 0.41 0.00 0.00 173.24 172.05 1jj2 s VAL 34 N -3.68 3.23 0.23 3.43 1.01 -1.26 0.09 120.40 123.44 1jj2 s VAL 34 Ca 0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1jj2 s VAL 34 Cb -0.00 -2.45 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1jj2 s VAL 34 CO -0.12 0.45 1.34 1.57 0.00 0.00 0.00 175.10 178.33 1jj2 n HIS 35 N 4.63 1.95 -1.43 5.22 -0.00 0.65 -2.10 115.22 124.14 1jj2 n HIS 35 Ca -0.18 0.50 -0.15 0.00 0.46 0.00 0.00 57.72 58.35 1jj2 n HIS 35 Cb 0.51 -2.41 -0.06 0.00 -0.12 0.00 0.00 29.99 27.90 1jj2 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jj2 n GLY 36 N 2.05 1.45 3.72 1.57 0.00 -1.26 -4.82 105.19 107.90 1jj2 n GLY 36 Ca 0.12 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1jj2 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jj2 s TYR 37 N -2.35 3.20 -0.05 1.61 5.04 -0.89 -5.09 117.35 118.81 1jj2 s TYR 37 Ca 0.00 0.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1jj2 s TYR 37 Cb 0.00 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.60 1jj2 s TYR 37 CO 0.00 0.51 0.11 -1.54 -1.34 0.00 0.00 175.55 173.28 1jj2 s SER 38 N -1.31 0.32 0.00 4.32 1.04 -1.26 -4.93 113.70 111.88 1jj2 s SER 38 Ca 0.18 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1jj2 s SER 38 Cb -0.12 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1jj2 s SER 38 CO 0.08 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1jj2 n GLY 39 N 4.63 0.62 3.51 7.32 0.00 -1.26 -5.12 105.19 114.88 1jj2 n GLY 39 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1jj2 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jj2 s THR 40 N 2.08 0.00 -0.08 2.61 -1.32 -1.26 -5.07 115.64 112.60 1jj2 s THR 40 Ca 0.00 -0.15 -0.40 0.00 -1.21 0.00 0.00 61.69 59.93 1jj2 s THR 40 Cb 0.00 -1.17 -0.18 0.00 -1.51 0.00 0.00 72.50 69.64 1jj2 s THR 40 CO 0.00 0.00 1.37 1.17 -2.21 0.00 0.00 174.62 174.95 1jj2 n LYS 41 N -0.36 0.66 0.00 7.08 4.81 -1.26 -0.74 118.16 128.35 1jj2 n LYS 41 Ca -0.13 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1jj2 n LYS 41 Cb 0.63 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1jj2 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jj2 n ASN 42 N 2.92 0.00 -4.71 3.14 3.02 -1.26 -4.99 115.26 113.38 1jj2 n ASN 42 Ca 0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1jj2 n ASN 42 Cb 0.11 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1jj2 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jj2 s ARG 43 N 0.00 4.48 -0.09 3.52 3.52 0.08 -5.00 118.95 125.46 1jj2 s ARG 43 Ca 0.00 1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.89 1jj2 s ARG 43 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1jj2 s ARG 43 CO 0.00 -0.18 1.27 -1.01 -0.81 0.00 0.00 175.30 174.57 1jj2 s HIS 44 N 1.18 2.96 0.17 5.12 3.76 -1.26 -4.63 115.29 122.58 1jj2 s HIS 44 Ca 0.55 1.03 -0.34 0.00 -0.15 0.00 0.00 55.06 56.16 1jj2 s HIS 44 Cb -0.25 -3.51 -0.15 0.00 1.11 0.00 0.00 32.58 29.79 1jj2 s HIS 44 CO 0.28 -1.74 1.43 -0.35 -0.85 0.00 0.00 174.74 173.51 1jj2 n PRO 45 N 5.82 1.78 -4.23 8.40 -0.04 -1.26 -4.81 135.00 140.66 1jj2 n PRO 45 Ca 0.13 0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 63.93 1jj2 n PRO 45 Cb 0.45 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 1jj2 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1jj2 s LYS 46 N 0.33 2.20 -0.02 0.54 -2.85 -1.26 -1.47 119.74 117.21 1jj2 s LYS 46 Ca 0.77 -0.99 -0.03 0.00 -1.00 0.00 0.00 55.97 54.72 1jj2 s LYS 46 Cb -0.75 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 1jj2 s LYS 46 CO 0.44 0.52 0.08 0.00 0.10 0.00 0.00 175.35 176.49 1jj2 s ALA 47 N -1.21 -0.18 0.00 0.59 0.00 -0.27 -4.88 121.76 115.80 1jj2 s ALA 47 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1jj2 s ALA 47 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1jj2 s ALA 47 CO 0.14 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1jj2 n GLY 48 N 2.49 4.18 3.59 0.00 0.00 -1.26 -0.96 105.19 113.22 1jj2 n GLY 48 Ca -0.16 -1.41 -0.51 0.00 0.00 0.00 0.00 46.02 43.95 1jj2 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jj2 n LEU 49 N 0.00 1.61 0.00 0.99 4.77 -1.26 -2.06 117.00 121.04 1jj2 n LEU 49 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1jj2 n LEU 49 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1jj2 n LEU 49 CO 0.00 -1.15 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 1jj2 n GLY 50 N 2.31 1.78 3.84 -0.72 0.00 -0.48 -5.00 105.19 106.93 1jj2 n GLY 50 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1jj2 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jj2 s ASP 51 N -3.36 6.80 -0.28 1.61 1.01 -0.88 -4.84 116.67 116.74 1jj2 s ASP 51 Ca 0.00 1.31 -0.12 0.00 0.71 0.00 0.00 52.55 54.45 1jj2 s ASP 51 Cb 0.00 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1jj2 s ASP 51 CO 0.00 -0.20 0.24 -0.75 0.21 0.00 0.00 175.17 174.68 1jj2 s LYS 52 N -2.92 3.97 0.19 8.23 2.20 -1.26 -1.92 119.74 128.23 1jj2 s LYS 52 Ca 0.54 -0.22 0.11 0.00 -0.36 0.00 0.00 55.97 56.04 1jj2 s LYS 52 Cb -0.11 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1jj2 s LYS 52 CO 0.17 -0.21 -0.21 0.96 -0.36 0.00 0.00 175.35 175.71 1jj2 s ILE 53 N 1.84 2.56 0.13 5.43 -4.36 -0.43 -0.25 121.20 126.13 1jj2 s ILE 53 Ca 0.09 -1.93 -0.12 0.00 -0.26 0.00 0.00 60.65 58.44 1jj2 s ILE 53 Cb -0.16 -2.24 -0.06 0.00 1.25 0.00 0.00 42.46 41.25 1jj2 s ILE 53 CO 0.11 -0.10 0.49 -0.89 0.24 0.00 0.00 174.94 174.78 1jj2 s THR 54 N -1.65 4.96 0.18 8.37 2.01 0.11 -1.18 115.64 128.45 1jj2 s THR 54 Ca 0.21 0.62 -0.07 0.00 0.31 0.00 0.00 61.69 62.76 1jj2 s THR 54 Cb -0.08 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1jj2 s THR 54 CO 0.11 0.21 0.25 -0.69 -0.69 0.00 0.00 174.62 173.81 1jj2 s VAL 55 N -1.49 0.05 0.04 3.82 1.01 0.20 -1.45 120.40 122.57 1jj2 s VAL 55 Ca 0.37 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1jj2 s VAL 55 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1jj2 s VAL 55 CO 0.19 -0.21 -0.15 -0.94 0.00 0.00 0.00 175.10 173.99 1jj2 s SER 56 N -3.03 1.80 -0.24 3.32 1.04 -0.65 -0.14 113.70 115.81 1jj2 s SER 56 Ca 0.24 -0.46 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 1jj2 s SER 56 Cb 0.04 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1jj2 s SER 56 CO 0.05 0.06 0.70 -0.69 0.98 0.00 0.00 173.24 174.34 1jj2 s VAL 57 N -0.81 4.94 -0.13 5.02 1.01 -0.76 -0.77 120.40 128.89 1jj2 s VAL 57 Ca 0.03 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1jj2 s VAL 57 Cb -0.08 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1jj2 s VAL 57 CO 0.01 0.01 0.31 0.41 0.00 0.00 0.00 175.10 175.84 1jj2 n THR 58 N 5.11 1.67 -4.21 3.92 -1.04 -0.21 -1.50 114.28 118.01 1jj2 n THR 58 Ca 0.02 -0.69 -0.17 0.00 -2.04 0.00 0.00 64.05 61.17 1jj2 n THR 58 Cb 0.49 -1.42 -0.13 0.00 -1.82 0.00 0.00 70.33 67.44 1jj2 n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jj2 s LYS 59 N -2.56 0.70 0.00 -2.82 1.02 -1.12 -4.89 119.74 110.06 1jj2 s LYS 59 Ca -0.19 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1jj2 s LYS 59 Cb 0.07 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 1jj2 s LYS 59 CO 0.76 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.75 1jj2 n GLY 60 N 1.95 0.84 3.76 -3.33 0.00 -1.26 -0.64 105.19 106.51 1jj2 n GLY 60 Ca -0.19 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1jj2 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj2 s THR 61 N -2.96 2.61 0.29 2.61 -4.23 -0.09 -4.73 115.64 109.13 1jj2 s THR 61 Ca 0.00 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1jj2 s THR 61 Cb 0.00 -3.36 0.45 0.00 1.34 0.00 0.00 72.50 70.92 1jj2 s THR 61 CO 0.00 0.12 1.56 -0.65 -0.54 0.00 0.00 174.62 175.11 1jj2 h PRO 62 N 3.96 0.00 -0.19 3.99 0.11 -1.94 0.52 132.00 138.45 1jj2 h PRO 62 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1jj2 h PRO 62 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1jj2 h PRO 62 CO 0.70 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.37 1jj2 h GLU 63 N 0.00 0.29 0.09 1.05 4.39 -1.98 -2.81 114.58 115.61 1jj2 h GLU 63 Ca 0.52 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.89 1jj2 h GLU 63 Cb 0.88 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1jj2 h GLU 63 CO -1.00 0.36 -1.30 0.52 -1.16 0.00 0.00 179.01 176.43 1jj2 h MET 64 N 0.28 0.20 -6.77 2.33 2.86 -0.41 -3.45 114.93 109.97 1jj2 h MET 64 Ca 0.06 -0.33 -0.57 0.00 -2.06 0.00 0.00 59.70 56.80 1jj2 h MET 64 Cb 0.28 0.12 0.14 0.00 0.06 0.00 0.00 31.60 32.20 1jj2 h MET 64 CO 0.01 1.10 0.27 0.54 1.06 0.00 0.00 176.91 179.89 1jj2 n ARG 65 N -3.44 1.41 0.00 1.72 1.74 0.14 -2.47 116.66 115.75 1jj2 n ARG 65 Ca -0.10 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1jj2 n ARG 65 Cb 1.01 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1jj2 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jj2 n ARG 66 N -0.25 0.00 -2.24 5.56 1.74 -0.57 -4.94 116.66 115.97 1jj2 n ARG 66 Ca 0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 1jj2 n ARG 66 Cb 0.42 -2.70 -0.02 0.00 -1.02 0.00 0.00 32.46 29.14 1jj2 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1jj2 s GLN 67 N 0.00 4.11 -0.38 5.56 -0.21 -1.03 -4.71 119.66 122.99 1jj2 s GLN 67 Ca 0.00 1.94 -0.12 0.00 0.02 0.00 0.00 55.36 57.20 1jj2 s GLN 67 Cb 0.00 -2.77 0.02 0.00 1.00 0.00 0.00 33.01 31.26 1jj2 s GLN 67 CO 0.00 -0.30 0.24 0.08 -2.12 0.00 0.00 175.29 173.18 1jj2 s VAL 68 N -1.33 4.81 0.41 1.09 1.01 -1.26 -1.83 120.40 123.30 1jj2 s VAL 68 Ca 0.55 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1jj2 s VAL 68 Cb -0.33 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1jj2 s VAL 68 CO 0.42 -0.24 0.05 0.18 0.00 0.00 0.00 175.10 175.51 1jj2 n LEU 69 N 5.05 0.00 -4.68 3.92 4.77 0.80 -4.94 117.00 121.93 1jj2 n LEU 69 Ca -0.12 -2.80 -0.28 0.00 -0.03 0.00 0.00 56.01 52.79 1jj2 n LEU 69 Cb 0.47 0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 42.03 1jj2 n LEU 69 CO 0.38 -0.41 -0.33 -0.70 -1.33 0.00 0.00 177.39 175.00 1jj2 s GLU 70 N -3.52 2.47 0.31 3.23 2.12 -1.26 0.61 118.70 122.65 1jj2 s GLU 70 Ca 0.07 -1.01 -0.17 0.00 0.36 0.00 0.00 54.97 54.23 1jj2 s GLU 70 Cb 0.00 -2.43 0.03 0.00 0.26 0.00 0.00 34.13 31.99 1jj2 s GLU 70 CO 0.05 0.48 0.69 0.00 -0.54 0.00 0.00 175.26 175.94 1jj2 s ALA 71 N -1.59 -0.78 -0.05 6.30 0.00 -0.32 -0.93 121.76 124.38 1jj2 s ALA 71 Ca 0.27 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1jj2 s ALA 71 Cb -0.10 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1jj2 s ALA 71 CO 0.19 -0.98 -0.11 0.08 0.00 0.00 0.00 175.76 174.93 1jj2 s VAL 72 N -3.36 1.05 -0.19 0.00 1.01 -0.68 -1.31 120.40 116.91 1jj2 s VAL 72 Ca 0.16 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1jj2 s VAL 72 Cb -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1jj2 s VAL 72 CO 0.10 0.33 1.33 -0.69 0.00 0.00 0.00 175.10 176.16 1jj2 s VAL 73 N 0.53 4.15 -0.09 2.92 1.01 -0.81 -1.23 120.40 126.89 1jj2 s VAL 73 Ca -0.11 1.37 0.18 0.00 0.00 0.00 0.00 61.98 63.42 1jj2 s VAL 73 Cb -0.14 -3.98 -0.26 0.00 0.00 0.00 0.00 36.38 32.00 1jj2 s VAL 73 CO 0.03 -0.22 0.26 0.52 0.00 0.00 0.00 175.10 175.68 1jj2 n VAL 74 N 5.66 0.56 -3.73 2.92 0.31 0.99 -1.38 118.33 123.66 1jj2 n VAL 74 Ca 0.15 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.75 1jj2 n VAL 74 Cb 0.45 -0.21 -0.09 0.00 -0.91 0.00 0.00 33.84 33.09 1jj2 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1jj2 s ARG 75 N -2.93 0.65 -0.02 5.55 0.52 -0.87 -3.31 118.95 118.53 1jj2 s ARG 75 Ca -0.08 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.01 1jj2 s ARG 75 Cb 0.09 0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.88 1jj2 s ARG 75 CO 0.77 -0.17 0.30 1.14 0.02 0.00 0.00 175.30 177.37 1jj2 s GLN 76 N -0.95 0.63 0.22 3.54 -2.07 -1.19 -0.66 119.66 119.18 1jj2 s GLN 76 Ca -0.10 -0.13 0.01 0.00 -1.82 0.00 0.00 55.36 53.32 1jj2 s GLN 76 Cb -0.04 0.28 0.21 0.00 -1.09 0.00 0.00 33.01 32.37 1jj2 s GLN 76 CO 0.04 -0.17 1.55 0.00 -1.32 0.00 0.00 175.29 175.40 1jj2 h ARG 77 N 4.06 0.40 -6.72 9.60 3.08 -1.71 -1.97 114.38 121.12 1jj2 h ARG 77 Ca -0.29 -0.25 -0.52 0.00 0.07 0.00 0.00 59.98 58.99 1jj2 h ARG 77 Cb 1.18 0.03 0.04 0.00 0.08 0.00 0.00 29.97 31.29 1jj2 h ARG 77 CO 0.39 0.84 0.63 0.21 -1.07 0.00 0.00 179.97 180.97 1jj2 s LYS 78 N -3.94 4.41 0.88 0.04 2.47 -1.26 -4.23 119.74 118.11 1jj2 s LYS 78 Ca -0.06 2.05 -0.12 0.00 -1.56 0.00 0.00 55.97 56.28 1jj2 s LYS 78 Cb 0.12 -3.18 0.07 0.00 -1.46 0.00 0.00 37.83 33.38 1jj2 s LYS 78 CO 0.81 -0.20 0.80 -2.30 0.16 0.00 0.00 175.35 174.63 1jj2 n PRO 79 N 2.22 -0.16 -4.00 4.03 -0.02 -1.26 -4.78 135.00 131.02 1jj2 n PRO 79 Ca 0.04 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 1jj2 n PRO 79 Cb 0.43 -2.13 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 1jj2 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1jj2 s ILE 80 N -2.34 0.25 -0.18 4.25 -4.36 -0.53 -3.91 121.20 114.36 1jj2 s ILE 80 Ca 0.64 -0.89 -0.07 0.00 -0.26 0.00 0.00 60.65 60.07 1jj2 s ILE 80 Cb -0.25 -0.36 -0.04 0.00 1.25 0.00 0.00 42.46 43.06 1jj2 s ILE 80 CO 0.60 -0.41 0.06 -0.60 0.24 0.00 0.00 174.94 174.82 1jj2 s ARG 81 N -1.37 3.94 0.25 0.37 3.52 -0.08 -0.64 118.95 124.94 1jj2 s ARG 81 Ca -0.13 -0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1jj2 s ARG 81 Cb -0.09 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1jj2 s ARG 81 CO -0.00 0.25 0.45 1.03 -0.81 0.00 0.00 175.30 176.21 1jj2 s ARG 82 N 0.44 3.52 0.42 5.12 0.52 -0.29 -1.10 118.95 127.57 1jj2 s ARG 82 Ca 0.03 -0.34 0.28 0.00 -0.52 0.00 0.00 55.73 55.18 1jj2 s ARG 82 Cb -0.13 -2.78 1.41 0.00 0.52 0.00 0.00 34.95 33.98 1jj2 s ARG 82 CO 0.01 0.32 1.60 -1.35 0.02 0.00 0.00 175.30 175.89 1jj2 h PRO 83 N 1.58 0.04 -0.02 3.54 0.11 -1.89 0.66 132.00 136.02 1jj2 h PRO 83 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jj2 h PRO 83 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jj2 h PRO 83 CO 0.65 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1jj2 n ASP 84 N -4.89 0.14 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.36 1jj2 n ASP 84 Ca 0.38 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1jj2 n ASP 84 Cb 1.42 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 1jj2 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jj2 n GLY 85 N 0.66 2.44 3.78 6.12 0.00 0.23 -5.04 105.19 113.38 1jj2 n GLY 85 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1jj2 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jj2 s THR 86 N -2.22 3.25 0.06 2.61 2.01 -1.25 -4.72 115.64 115.38 1jj2 s THR 86 Ca 0.00 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1jj2 s THR 86 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1jj2 s THR 86 CO 0.00 -0.16 0.09 -0.13 -0.69 0.00 0.00 174.62 173.73 1jj2 s ARG 87 N -3.26 2.98 -0.05 4.92 1.81 -1.26 -1.14 118.95 122.96 1jj2 s ARG 87 Ca 0.72 -0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.12 1jj2 s ARG 87 Cb -0.23 -2.79 0.01 0.00 -0.45 0.00 0.00 34.95 31.50 1jj2 s ARG 87 CO 0.26 0.59 -0.08 0.08 -0.68 0.00 0.00 175.30 175.47 1jj2 s VAL 88 N -1.37 0.79 0.02 3.52 1.01 0.18 -4.90 120.40 119.65 1jj2 s VAL 88 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1jj2 s VAL 88 Cb -0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1jj2 s VAL 88 CO 0.21 0.27 -0.02 -1.59 0.00 0.00 0.00 175.10 173.98 1jj2 s LYS 89 N 0.63 0.34 0.38 2.72 -2.85 -1.26 -1.45 119.74 118.25 1jj2 s LYS 89 Ca -0.10 -0.63 0.08 0.00 -1.00 0.00 0.00 55.97 54.31 1jj2 s LYS 89 Cb -0.13 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.73 1jj2 s LYS 89 CO 0.01 -0.06 0.31 -0.06 0.10 0.00 0.00 175.35 175.66 1jj2 s PHE 90 N -1.62 2.78 0.08 1.78 0.40 -0.74 -5.01 117.98 115.64 1jj2 s PHE 90 Ca -0.14 -0.41 0.27 0.00 -0.60 0.00 0.00 56.93 56.04 1jj2 s PHE 90 Cb -0.09 -1.97 1.01 0.00 0.51 0.00 0.00 43.02 42.49 1jj2 s PHE 90 CO -0.01 0.05 1.86 1.49 0.70 0.00 0.00 175.22 179.31 1jj2 h GLU 91 N 1.18 0.00 0.00 0.44 4.22 -1.93 -3.36 114.58 115.12 1jj2 h GLU 91 Ca -0.43 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 58.84 1jj2 h GLU 91 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1jj2 h GLU 91 CO 0.59 0.14 -0.03 -0.40 -2.18 0.00 0.00 179.01 177.13 1jj2 n ASP 92 N -3.27 -1.22 -4.46 1.04 5.75 -1.26 -4.94 116.55 108.19 1jj2 n ASP 92 Ca 0.01 -2.40 -0.34 0.00 -0.01 0.00 0.00 54.79 52.05 1jj2 n ASP 92 Cb 0.40 2.20 -0.13 0.00 -1.03 0.00 0.00 41.12 42.56 1jj2 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1jj2 s ASN 93 N -2.64 4.61 0.01 -1.12 0.01 -1.26 -3.20 114.94 111.34 1jj2 s ASN 93 Ca 0.20 -0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 52.08 1jj2 s ASN 93 Cb -0.02 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.90 1jj2 s ASN 93 CO 0.14 0.15 0.15 0.00 -1.51 0.00 0.00 177.10 176.03 1jj2 s ALA 94 N 0.47 -0.33 0.05 0.60 0.00 0.16 -1.59 121.76 121.13 1jj2 s ALA 94 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1jj2 s ALA 94 Cb -0.15 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1jj2 s ALA 94 CO 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 1jj2 s ALA 95 N -1.59 0.44 -0.12 0.00 0.00 -0.15 -0.00 121.76 120.34 1jj2 s ALA 95 Ca -0.13 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1jj2 s ALA 95 Cb -0.06 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1jj2 s ALA 95 CO 0.01 -0.27 -0.22 0.08 0.00 0.00 0.00 175.76 175.36 1jj2 s VAL 96 N -2.95 2.13 0.20 0.00 1.01 -0.36 -1.06 120.40 119.37 1jj2 s VAL 96 Ca -0.01 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 1jj2 s VAL 96 Cb 0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 1jj2 s VAL 96 CO -0.06 0.55 1.57 -0.63 0.00 0.00 0.00 175.10 176.53 1jj2 s ILE 97 N 0.53 2.47 0.25 2.22 1.01 -1.26 -1.68 121.20 124.74 1jj2 s ILE 97 Ca -0.14 0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1jj2 s ILE 97 Cb -0.17 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1jj2 s ILE 97 CO 0.04 0.04 -0.11 0.54 0.00 0.00 0.00 174.94 175.46 1jj2 s VAL 98 N 0.78 1.75 0.00 2.92 0.11 -0.11 -1.23 120.40 124.63 1jj2 s VAL 98 Ca 0.68 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1jj2 s VAL 98 Cb -0.45 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 1jj2 s VAL 98 CO 0.36 -0.44 0.00 -0.90 -3.33 0.00 0.00 175.10 170.79 1jj2 n ASP 99 N -0.50 0.68 -0.32 3.54 5.68 -1.02 -4.11 116.55 120.50 1jj2 n ASP 99 Ca -0.06 -0.65 0.04 0.00 -0.50 0.00 0.00 54.79 53.62 1jj2 n ASP 99 Cb 0.62 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.79 1jj2 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jj2 h GLU 100 N 0.00 0.87 -0.00 0.11 5.08 -1.99 -1.31 114.58 117.34 1jj2 h GLU 100 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jj2 h GLU 100 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1jj2 h GLU 100 CO 0.00 0.58 -0.12 0.09 -1.00 0.00 0.00 179.01 178.56 1jj2 n ASN 101 N -4.68 0.39 0.00 1.42 3.02 -1.26 -4.91 115.26 109.24 1jj2 n ASN 101 Ca 0.16 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1jj2 n ASN 101 Cb 0.29 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1jj2 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jj2 n GLU 102 N -1.07 0.00 -3.29 3.52 1.02 -0.49 -5.04 120.64 115.28 1jj2 n GLU 102 Ca 0.13 0.42 -0.38 0.00 -0.02 0.00 0.00 57.16 57.30 1jj2 n GLU 102 Cb 0.28 -3.61 -0.06 0.00 -0.02 0.00 0.00 31.44 28.04 1jj2 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jj2 s ASP 103 N -2.91 6.86 0.17 1.62 1.01 -1.26 -4.45 116.67 117.70 1jj2 s ASP 103 Ca 0.00 1.02 -0.34 0.00 0.71 0.00 0.00 52.55 53.94 1jj2 s ASP 103 Cb 0.00 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.47 1jj2 s ASP 103 CO 0.00 0.11 1.53 -0.81 0.21 0.00 0.00 175.17 176.21 1jj2 n PRO 104 N 2.85 2.05 0.26 8.23 -0.04 -1.26 -2.44 135.00 144.66 1jj2 n PRO 104 Ca -0.08 0.74 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1jj2 n PRO 104 Cb 0.51 -2.48 0.73 0.00 -0.04 0.00 0.00 33.50 32.23 1jj2 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1jj2 h ARG 105 N 5.52 0.00 0.00 0.54 2.43 -1.48 -3.44 114.38 117.94 1jj2 h ARG 105 Ca -0.45 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.46 1jj2 h ARG 105 Cb 1.26 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.85 1jj2 h ARG 105 CO 0.86 0.11 0.04 0.41 -1.51 0.00 0.00 179.97 179.87 1jj2 n GLY 106 N -0.85 1.05 0.05 2.80 0.00 -1.26 -4.95 105.19 102.03 1jj2 n GLY 106 Ca -0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 1jj2 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jj2 n THR 107 N -2.05 0.68 -4.18 2.61 -1.04 -1.26 -5.01 114.28 104.03 1jj2 n THR 107 Ca 0.09 -0.51 -0.16 0.00 -2.04 0.00 0.00 64.05 61.43 1jj2 n THR 107 Cb 0.32 -0.42 -0.13 0.00 -1.82 0.00 0.00 70.33 68.29 1jj2 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jj2 s GLU 108 N -2.52 0.60 -0.17 -2.82 2.02 -1.26 -5.05 118.70 109.49 1jj2 s GLU 108 Ca -0.06 -0.54 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1jj2 s GLU 108 Cb 0.06 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 33.74 1jj2 s GLU 108 CO 0.57 0.12 0.05 -0.51 0.02 0.00 0.00 175.26 175.51 1jj2 s LEU 109 N -0.90 3.74 -0.14 1.80 1.43 -1.26 -2.27 118.68 121.09 1jj2 s LEU 109 Ca -0.02 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1jj2 s LEU 109 Cb -0.06 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1jj2 s LEU 109 CO 0.00 0.18 0.42 -0.54 0.23 0.00 0.00 176.35 176.65 1jj2 s LYS 110 N 0.30 4.29 0.00 1.70 1.02 -0.65 -4.60 119.74 121.80 1jj2 s LYS 110 Ca 0.02 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.35 1jj2 s LYS 110 Cb -0.13 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1jj2 s LYS 110 CO 0.01 0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1jj2 n GLY 111 N 3.41 -1.41 3.64 -3.33 0.00 -1.26 -4.66 105.19 101.58 1jj2 n GLY 111 Ca -0.08 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 1jj2 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jj2 s PRO 112 N -2.18 0.44 0.01 1.61 0.04 -1.26 -4.57 135.00 129.09 1jj2 s PRO 112 Ca 0.00 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1jj2 s PRO 112 Cb 0.00 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1jj2 s PRO 112 CO 0.00 -2.80 0.01 0.42 0.04 0.00 0.00 177.00 174.67 1jj2 s ILE 113 N -2.79 0.08 0.12 0.56 1.01 -0.67 -4.88 121.20 114.64 1jj2 s ILE 113 Ca 0.66 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1jj2 s ILE 113 Cb -0.20 -0.25 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 1jj2 s ILE 113 CO 0.59 -0.37 1.13 0.00 0.00 0.00 0.00 174.94 176.29 1jj2 s ALA 114 N -1.13 3.36 0.34 9.38 0.00 -1.21 -0.85 121.76 131.66 1jj2 s ALA 114 Ca -0.12 0.81 0.10 0.00 0.00 0.00 0.00 51.96 52.74 1jj2 s ALA 114 Cb -0.07 -3.39 0.85 0.00 0.00 0.00 0.00 23.12 20.50 1jj2 s ALA 114 CO -0.00 -0.30 1.81 0.07 0.00 0.00 0.00 175.76 177.33 1jj2 h ARG 115 N 5.88 0.64 -0.12 0.00 0.11 -1.86 -0.71 114.38 118.32 1jj2 h ARG 115 Ca -0.43 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 59.65 1jj2 h ARG 115 Cb 1.21 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 1jj2 h ARG 115 CO 0.76 0.42 0.13 0.93 0.10 0.00 0.00 179.97 182.31 1jj2 h GLU 116 N 0.66 0.00 0.00 0.08 3.07 -1.89 0.57 114.58 117.07 1jj2 h GLU 116 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1jj2 h GLU 116 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1jj2 h GLU 116 CO -0.30 0.00 0.00 0.28 -1.40 0.00 0.00 179.01 177.59 1jj2 h VAL 117 N 0.00 0.00 -0.09 3.13 2.07 -1.45 -2.94 116.25 116.97 1jj2 h VAL 117 Ca 0.06 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1jj2 h VAL 117 Cb 0.31 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1jj2 h VAL 117 CO -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.46 1jj2 h ALA 118 N 2.03 0.14 0.00 1.67 0.00 -1.00 -1.33 119.26 120.77 1jj2 h ALA 118 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jj2 h ALA 118 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jj2 h ALA 118 CO 0.00 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1jj2 n GLN 119 N -4.62 0.00 0.00 0.00 6.02 -1.11 -3.04 117.38 114.63 1jj2 n GLN 119 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1jj2 n GLN 119 Cb 0.35 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1jj2 n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jj2 n ARG 120 N -0.80 0.00 -3.91 -1.09 1.74 -1.13 -4.82 116.66 106.65 1jj2 n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1jj2 n ARG 120 Cb 0.00 -0.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 1jj2 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jj2 s PHE 121 N -1.86 3.42 0.11 -1.55 0.40 -0.51 -4.99 117.98 112.99 1jj2 s PHE 121 Ca 0.00 -3.28 -0.35 0.00 -0.60 0.00 0.00 56.93 52.71 1jj2 s PHE 121 Cb 0.00 -2.73 -0.14 0.00 0.51 0.00 0.00 43.02 40.65 1jj2 s PHE 121 CO 0.00 -0.61 1.56 0.78 0.70 0.00 0.00 175.22 177.64 1jj2 h GLY 122 N 5.78 -1.15 1.28 4.36 0.00 -1.82 -0.95 103.07 110.58 1jj2 h GLY 122 Ca 0.07 0.65 0.10 0.00 0.00 0.00 0.00 47.33 48.14 1jj2 h GLY 122 CO 0.71 -0.26 0.27 1.48 0.00 0.00 0.00 176.54 178.73 1jj2 h SER 123 N -0.74 0.00 -0.15 0.19 4.64 -1.93 0.40 113.55 115.96 1jj2 h SER 123 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1jj2 h SER 123 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1jj2 h SER 123 CO -0.31 0.00 -0.41 0.58 -0.87 0.00 0.00 176.83 175.82 1jj2 h VAL 124 N 0.00 1.35 -0.18 0.95 2.07 -1.58 -3.22 116.25 115.65 1jj2 h VAL 124 Ca 0.16 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1jj2 h VAL 124 Cb 0.69 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1jj2 h VAL 124 CO -0.00 0.51 0.03 0.00 0.02 0.00 0.00 177.57 178.13 1jj2 h ALA 125 N 0.54 0.23 0.00 1.67 0.00 0.48 -2.69 119.26 119.50 1jj2 h ALA 125 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jj2 h ALA 125 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1jj2 h ALA 125 CO 0.09 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1jj2 n SER 126 N -4.78 0.24 0.00 0.00 3.41 0.12 -0.36 113.62 112.25 1jj2 n SER 126 Ca -0.05 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1jj2 n SER 126 Cb 0.18 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1jj2 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jj2 n ALA 127 N -0.07 1.59 -1.80 7.33 0.00 -1.02 -5.03 120.51 121.52 1jj2 n ALA 127 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1jj2 n ALA 127 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1jj2 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jj2 s ALA 128 N -0.19 3.07 -0.19 0.00 0.00 0.51 -4.02 121.76 120.95 1jj2 s ALA 128 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 1jj2 s ALA 128 Cb 0.00 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.78 1jj2 s ALA 128 CO 0.00 0.03 0.12 1.15 0.00 0.00 0.00 175.76 177.06 1jj2 h THR 129 N 2.11 0.68 -3.82 0.00 2.02 -1.84 -3.47 112.91 108.59 1jj2 h THR 129 Ca -0.48 -1.84 -0.62 0.00 0.77 0.00 0.00 66.41 64.24 1jj2 h THR 129 Cb 1.19 1.61 -0.32 0.00 -1.74 0.00 0.00 68.15 68.89 1jj2 h THR 129 CO 0.62 0.23 -0.86 -0.04 0.37 0.00 0.00 175.52 175.84 1jj2 s MET 130 N -2.31 2.20 -0.25 6.66 -1.94 -1.26 -5.10 119.30 117.29 1jj2 s MET 130 Ca -0.24 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1jj2 s MET 130 Cb 0.04 -1.84 0.07 0.00 2.01 0.00 0.00 34.83 35.12 1jj2 s MET 130 CO 0.48 0.26 0.01 0.42 -0.01 0.00 0.00 175.02 176.18 1jj2 s ILE 131 N 0.07 1.26 -2.63 2.53 1.01 -1.26 -1.67 121.20 120.50 1jj2 s ILE 131 Ca -0.07 -1.24 0.27 0.00 0.00 0.00 0.00 60.65 59.61 1jj2 s ILE 131 Cb -0.13 -1.71 0.46 0.00 0.01 0.00 0.00 42.46 41.09 1jj2 s ILE 131 CO 0.04 -0.31 1.62 0.52 0.00 0.00 0.00 174.94 176.81