#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr1 h ASN 2 N 0.00 0.93 -2.71 4.37 -1.24 -2.06 -3.42 115.58 111.44 2jr1 h ASN 2 Ca 0.00 -0.23 -0.57 0.00 0.71 0.00 0.00 56.30 56.21 2jr1 h ASN 2 Cb 0.00 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.78 2jr1 h ASN 2 CO 0.00 0.97 1.21 0.54 -1.29 0.00 0.00 177.43 178.85 2jr1 s VAL 3 N -5.07 3.56 -0.09 2.57 0.11 -1.26 -5.00 120.40 115.22 2jr1 s VAL 3 Ca -0.11 0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 2jr1 s VAL 3 Cb 0.14 -3.65 0.05 0.00 -1.53 0.00 0.00 36.38 31.38 2jr1 s VAL 3 CO 0.84 -0.35 0.20 -0.75 -3.33 0.00 0.00 175.10 171.71 2jr1 s LYS 4 N 5.18 0.13 0.97 1.54 2.20 -1.26 -5.14 119.74 123.36 2jr1 s LYS 4 Ca 0.76 0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.77 2jr1 s LYS 4 Cb -0.24 -0.15 0.17 0.00 -1.51 0.00 0.00 37.83 36.10 2jr1 s LYS 4 CO 0.32 -0.20 1.11 -0.65 -0.36 0.00 0.00 175.35 175.57 2jr1 s GLN 5 N 1.51 0.61 0.77 4.03 1.11 -1.26 -4.94 119.66 121.50 2jr1 s GLN 5 Ca -0.06 1.33 -0.11 0.00 0.01 0.00 0.00 55.36 56.52 2jr1 s GLN 5 Cb -0.11 -1.70 0.06 0.00 -1.01 0.00 0.00 33.01 30.25 2jr1 s GLN 5 CO -0.07 -2.84 1.09 0.15 0.01 0.00 0.00 175.29 173.63 2jr1 s LYS 6 N -4.63 2.28 -0.10 2.91 -0.14 -1.26 -5.06 119.74 113.74 2jr1 s LYS 6 Ca 0.67 0.66 -0.04 0.00 -1.36 0.00 0.00 55.97 55.89 2jr1 s LYS 6 Cb -0.23 -1.94 0.05 0.00 -1.68 0.00 0.00 37.83 34.03 2jr1 s LYS 6 CO 0.59 -1.49 0.22 -1.12 -0.76 0.00 0.00 175.35 172.80 2jr1 s SER 7 N -3.95 0.13 -0.36 2.83 0.01 -1.26 -4.99 113.70 106.12 2jr1 s SER 7 Ca 0.60 0.49 0.02 0.00 1.31 0.00 0.00 55.95 58.36 2jr1 s SER 7 Cb -0.14 0.46 0.11 0.00 0.21 0.00 0.00 66.02 66.66 2jr1 s SER 7 CO 0.54 -0.20 0.12 -1.61 0.41 0.00 0.00 173.24 172.50 2jr1 s GLU 8 N 1.81 1.14 -0.10 12.44 2.02 -1.24 -2.59 118.70 132.17 2jr1 s GLU 8 Ca -0.04 -1.60 -0.05 0.00 0.02 0.00 0.00 54.97 53.30 2jr1 s GLU 8 Cb -0.11 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 2jr1 s GLU 8 CO -0.08 -1.02 0.10 0.42 0.02 0.00 0.00 175.26 174.71 2jr1 s ILE 9 N 1.02 5.16 0.74 -1.63 1.09 -0.51 -4.99 121.20 122.08 2jr1 s ILE 9 Ca 0.12 0.06 -0.12 0.00 -1.10 0.00 0.00 60.65 59.61 2jr1 s ILE 9 Cb -0.20 -3.24 0.04 0.00 -1.06 0.00 0.00 42.46 38.00 2jr1 s ILE 9 CO -0.13 0.60 1.10 -0.89 -0.10 0.00 0.00 174.94 175.51 2jr1 s THR 10 N -1.01 3.29 0.51 2.92 2.01 -1.26 -3.15 115.64 118.95 2jr1 s THR 10 Ca 0.15 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.41 2jr1 s THR 10 Cb -0.12 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 2jr1 s THR 10 CO 0.04 -0.49 1.24 0.00 -0.69 0.00 0.00 174.62 174.72 2jr1 s ALA 11 N -2.72 2.86 0.01 7.40 0.00 -1.08 -4.87 121.76 123.36 2jr1 s ALA 11 Ca 0.63 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.76 2jr1 s ALA 11 Cb -0.18 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2jr1 s ALA 11 CO 0.51 -0.98 -0.23 -1.17 0.00 0.00 0.00 175.76 173.88 2jr1 s LEU 12 N -3.35 2.10 0.24 0.00 2.96 -1.26 -4.95 118.68 114.42 2jr1 s LEU 12 Ca 0.68 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.80 2jr1 s LEU 12 Cb -0.33 -1.17 -0.10 0.00 0.50 0.00 0.00 46.19 45.09 2jr1 s LEU 12 CO 0.39 0.25 1.49 0.68 -1.32 0.00 0.00 176.35 177.84 2jr1 s VAL 13 N -0.67 2.57 0.52 1.68 -7.23 -1.26 -4.55 120.40 111.46 2jr1 s VAL 13 Ca 0.09 0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 60.51 2jr1 s VAL 13 Cb -0.09 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.49 2jr1 s VAL 13 CO 0.00 0.07 1.21 -0.75 -0.31 0.00 0.00 175.10 175.32 2jr1 s LYS 14 N -0.11 3.40 -0.15 4.82 2.20 -1.20 -4.98 119.74 123.72 2jr1 s LYS 14 Ca 0.62 1.85 -0.29 0.00 -0.36 0.00 0.00 55.97 57.79 2jr1 s LYS 14 Cb -0.43 -2.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 2jr1 s LYS 14 CO 0.42 -0.87 1.20 -1.21 -0.36 0.00 0.00 175.35 174.52 2jr1 s GLU 15 N -2.97 4.27 -0.02 4.03 8.01 -1.26 -4.71 118.70 126.05 2jr1 s GLU 15 Ca 0.70 1.59 -0.11 0.00 0.01 0.00 0.00 54.97 57.16 2jr1 s GLU 15 Cb -0.31 -3.69 0.02 0.00 -4.31 0.00 0.00 34.13 25.84 2jr1 s GLU 15 CO 0.36 -0.62 0.24 0.08 0.01 0.00 0.00 175.26 175.32 2jr1 s VAL 16 N 3.12 0.06 0.01 2.63 1.01 -1.26 -5.12 120.40 120.85 2jr1 s VAL 16 Ca 0.53 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2jr1 s VAL 16 Cb -0.21 -0.52 -0.15 0.00 0.00 0.00 0.00 36.38 35.51 2jr1 s VAL 16 CO 0.15 -0.27 1.10 0.74 0.00 0.00 0.00 175.10 176.81 2jr1 h THR 17 N 4.12 0.14 -4.33 3.92 2.02 -1.96 -3.45 112.91 113.37 2jr1 h THR 17 Ca -0.30 -0.38 -0.51 0.00 0.77 0.00 0.00 66.41 66.00 2jr1 h THR 17 Cb 1.18 0.20 0.10 0.00 -1.74 0.00 0.00 68.15 67.89 2jr1 h THR 17 CO 0.39 0.02 0.36 -2.16 0.37 0.00 0.00 175.52 174.51 2jr1 s PRO 18 N -4.57 2.73 -1.20 6.66 0.04 -1.26 -4.96 135.00 132.44 2jr1 s PRO 18 Ca -0.14 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 2jr1 s PRO 18 Cb 0.02 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2jr1 s PRO 18 CO 0.43 -1.22 1.79 -1.25 0.04 0.00 0.00 177.00 176.79 2jr1 s PRO 19 N -5.08 3.35 -0.20 0.56 0.04 -1.26 -4.86 135.00 127.54 2jr1 s PRO 19 Ca 0.59 -1.50 -0.05 0.00 0.04 0.00 0.00 61.00 60.08 2jr1 s PRO 19 Cb -0.14 -5.39 0.10 0.00 0.04 0.00 0.00 34.50 29.11 2jr1 s PRO 19 CO 0.55 -2.91 0.36 0.50 0.04 0.00 0.00 177.00 175.54 2jr1 s ARG 20 N 5.26 0.29 -0.31 4.56 3.52 -1.26 -5.15 118.95 125.85 2jr1 s ARG 20 Ca 0.59 0.76 -0.06 0.00 -0.13 0.00 0.00 55.73 56.90 2jr1 s ARG 20 Cb 0.01 -0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 2jr1 s ARG 20 CO 0.07 -0.41 0.07 0.15 -0.81 0.00 0.00 175.30 174.36 2jr1 s LYS 21 N 2.54 2.78 0.26 5.12 -0.14 -1.26 -4.84 119.74 124.20 2jr1 s LYS 21 Ca 0.04 -1.06 -0.20 0.00 -1.36 0.00 0.00 55.97 53.39 2jr1 s LYS 21 Cb -0.13 -3.35 -0.09 0.00 -1.68 0.00 0.00 37.83 32.57 2jr1 s LYS 21 CO -0.13 -0.56 0.77 0.00 -0.76 0.00 0.00 175.35 174.67 2jr1 s ALA 22 N 1.41 3.35 -1.26 5.17 0.00 -1.26 -4.94 121.76 124.23 2jr1 s ALA 22 Ca -0.00 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2jr1 s ALA 22 Cb -0.18 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2jr1 s ALA 22 CO 0.02 0.29 1.79 -1.25 0.00 0.00 0.00 175.76 176.61 2jr1 s PRO 23 N -2.16 3.57 -0.07 0.00 0.04 -1.26 -3.22 135.00 131.89 2jr1 s PRO 23 Ca 0.46 -1.75 -0.30 0.00 0.04 0.00 0.00 61.00 59.46 2jr1 s PRO 23 Cb -0.16 -5.45 -0.03 0.00 0.04 0.00 0.00 34.50 28.90 2jr1 s PRO 23 CO 0.21 -2.74 1.16 0.45 0.04 0.00 0.00 177.00 176.12 2jr1 s SER 24 N 4.88 7.09 -0.92 6.66 0.15 -1.26 -4.99 113.70 125.31 2jr1 s SER 24 Ca 0.58 1.74 -0.24 0.00 0.70 0.00 0.00 55.95 58.73 2jr1 s SER 24 Cb 0.03 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 2jr1 s SER 24 CO 0.09 -0.56 1.48 -0.54 1.20 0.00 0.00 173.24 174.91 2jr1 s LYS 25 N 2.21 3.35 -0.30 5.44 -0.14 -1.18 -4.49 119.74 124.63 2jr1 s LYS 25 Ca 0.54 -0.75 -0.10 0.00 -1.36 0.00 0.00 55.97 54.30 2jr1 s LYS 25 Cb -0.23 -5.00 -0.02 0.00 -1.68 0.00 0.00 37.83 30.90 2jr1 s LYS 25 CO 0.21 -2.34 0.16 0.00 -0.76 0.00 0.00 175.35 172.62 2jr1 s ALA 26 N 5.86 3.34 -0.15 5.17 0.00 -1.26 -2.15 121.76 132.57 2jr1 s ALA 26 Ca 0.47 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2jr1 s ALA 26 Cb -0.03 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2jr1 s ALA 26 CO -0.02 -0.79 -0.18 0.15 0.00 0.00 0.00 175.76 174.93 2jr1 s LYS 27 N 1.66 2.67 -0.53 0.00 3.01 -1.17 -2.63 119.74 122.75 2jr1 s LYS 27 Ca 0.06 -0.71 -0.08 0.00 -1.01 0.00 0.00 55.97 54.22 2jr1 s LYS 27 Cb -0.17 -2.29 0.14 0.00 -1.01 0.00 0.00 37.83 34.50 2jr1 s LYS 27 CO 0.07 -0.15 0.40 1.03 0.51 0.00 0.00 175.35 177.21 2jr1 s ARG 28 N 1.19 2.57 -0.04 1.68 0.52 -1.19 -2.79 118.95 120.89 2jr1 s ARG 28 Ca 0.00 -1.96 0.03 0.00 -0.52 0.00 0.00 55.73 53.28 2jr1 s ARG 28 Cb -0.14 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.41 2jr1 s ARG 28 CO -0.08 -1.19 -0.13 -1.21 0.02 0.00 0.00 175.30 172.70 2jr1 s GLU 29 N 1.00 1.42 -0.21 3.54 2.02 -1.22 -1.42 118.70 123.83 2jr1 s GLU 29 Ca 0.09 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 2jr1 s GLU 29 Cb -0.23 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 2jr1 s GLU 29 CO -0.02 0.17 0.67 0.00 0.02 0.00 0.00 175.26 176.09 2jr1 s ALA 30 N 0.17 3.56 0.00 5.21 0.00 -1.07 -2.05 121.76 127.58 2jr1 s ALA 30 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2jr1 s ALA 30 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2jr1 s ALA 30 CO 0.02 -0.65 0.00 -0.35 0.00 0.00 0.00 175.76 174.78 2jr1 n PRO 31 N 5.29 0.00 -4.77 0.00 -0.04 -1.26 -4.76 135.00 129.46 2jr1 n PRO 31 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2jr1 n PRO 31 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.79 2jr1 n PRO 31 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2jr1 s ILE 32 N 1.67 2.36 0.32 0.52 -4.36 -1.26 -4.70 121.20 115.75 2jr1 s ILE 32 Ca 0.00 -0.89 0.27 0.00 -0.26 0.00 0.00 60.65 59.77 2jr1 s ILE 32 Cb 0.00 -1.96 0.28 0.00 1.25 0.00 0.00 42.46 42.03 2jr1 s ILE 32 CO 0.00 0.54 2.00 0.50 0.24 0.00 0.00 174.94 178.22 2jr1 h LYS 33 N 7.11 0.00 -0.51 0.37 1.63 -1.95 -2.49 116.57 120.72 2jr1 h LYS 33 Ca -0.29 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.54 2jr1 h LYS 33 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 2jr1 h LYS 33 CO 0.54 0.15 0.30 -0.92 -3.45 0.00 0.00 179.45 176.06 2jr1 h TYR 34 N 0.00 0.55 0.00 1.91 3.20 -1.99 -3.35 116.97 117.29 2jr1 h TYR 34 Ca -0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 2jr1 h TYR 34 Cb 0.47 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2jr1 h TYR 34 CO 0.00 0.31 -0.49 2.35 -1.64 0.00 0.00 178.16 178.69 2jr1 h TRP 35 N 0.59 0.00 -3.23 -3.82 2.91 -2.00 -3.47 115.95 106.93 2jr1 h TRP 35 Ca 0.21 0.00 -0.67 0.00 1.13 0.00 0.00 58.89 59.56 2jr1 h TRP 35 Cb 0.04 0.00 -0.33 0.00 -0.51 0.00 0.00 29.16 28.36 2jr1 h TRP 35 CO -0.07 1.08 -0.85 -0.48 -1.03 0.00 0.00 178.44 177.09 2jr1 s LEU 36 N -8.11 2.21 0.00 0.65 2.34 -0.94 -5.06 118.68 109.77 2jr1 s LEU 36 Ca -0.21 -0.56 0.13 0.00 0.06 0.00 0.00 54.13 53.55 2jr1 s LEU 36 Cb 0.01 -1.47 0.68 0.00 -0.56 0.00 0.00 46.19 44.85 2jr1 s LEU 36 CO 0.59 0.09 1.34 -0.81 -1.06 0.00 0.00 176.35 176.50 2jr1 n PRO 37 N 4.02 0.21 -3.84 1.48 -0.04 -1.26 -4.02 135.00 131.54 2jr1 n PRO 37 Ca -0.20 0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 37 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2jr1 n PRO 37 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jr1 s HIS 38 N -2.53 2.55 -0.59 0.54 5.65 -1.26 -5.00 115.29 114.65 2jr1 s HIS 38 Ca 0.13 -2.41 -0.27 0.00 0.25 0.00 0.00 55.06 52.76 2jr1 s HIS 38 Cb 0.09 -2.24 0.00 0.00 -1.18 0.00 0.00 32.58 29.25 2jr1 s HIS 38 CO 0.20 -0.87 1.59 -1.54 -0.65 0.00 0.00 174.74 173.47 2jr1 s SER 39 N 0.96 5.80 0.00 9.88 1.04 -1.26 -4.63 113.70 125.49 2jr1 s SER 39 Ca 0.12 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2jr1 s SER 39 Cb -0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2jr1 s SER 39 CO -0.12 -1.97 0.00 0.61 0.98 0.00 0.00 173.24 172.73 2jr1 n GLY 40 N 5.45 -0.68 3.20 7.32 0.00 -1.24 -4.53 105.19 114.71 2jr1 n GLY 40 Ca 0.15 0.40 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 2jr1 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr1 s ALA 41 N 0.00 2.69 -0.63 4.61 0.00 -0.87 -4.87 121.76 122.68 2jr1 s ALA 41 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 2jr1 s ALA 41 Cb 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.51 2jr1 s ALA 41 CO 0.00 -0.76 1.01 -0.08 0.00 0.00 0.00 175.76 175.93 2jr1 s THR 42 N 1.33 4.25 -0.47 0.00 -1.32 -1.26 -3.43 115.64 114.75 2jr1 s THR 42 Ca 0.01 -0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 2jr1 s THR 42 Cb -0.16 -4.67 0.07 0.00 -1.51 0.00 0.00 72.50 66.23 2jr1 s THR 42 CO -0.05 -1.40 0.38 0.86 -2.21 0.00 0.00 174.62 172.21 2jr1 s TRP 43 N 4.28 3.25 -0.69 9.09 -0.11 -1.12 -4.99 118.94 128.65 2jr1 s TRP 43 Ca 0.27 -0.93 -0.17 0.00 1.22 0.00 0.00 56.10 56.49 2jr1 s TRP 43 Cb -0.14 -3.13 0.15 0.00 -1.50 0.00 0.00 33.47 28.85 2jr1 s TRP 43 CO 0.14 -0.79 0.73 -1.54 -4.62 0.00 0.00 176.95 170.87 2jr1 s SER 44 N 2.52 6.41 0.00 5.86 1.04 -1.26 -3.02 113.70 125.26 2jr1 s SER 44 Ca 0.04 -1.97 0.00 0.00 0.48 0.00 0.00 55.95 54.50 2jr1 s SER 44 Cb -0.24 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2jr1 s SER 44 CO 0.07 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2jr1 n GLY 45 N 4.91 -0.96 3.80 7.32 0.00 -0.92 -4.83 105.19 114.51 2jr1 n GLY 45 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 2jr1 n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jr1 s ARG 46 N 0.00 2.97 -1.07 1.61 3.00 -1.26 -3.09 118.95 121.12 2jr1 s ARG 46 Ca 0.00 1.16 -0.22 0.00 -1.00 0.00 0.00 55.73 55.67 2jr1 s ARG 46 Cb 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 34.95 32.86 2jr1 s ARG 46 CO 0.00 -1.09 1.92 0.41 0.00 0.00 0.00 175.30 176.55 2jr1 n GLY 47 N -1.22 1.54 3.36 8.12 0.00 -1.26 -4.74 105.19 110.99 2jr1 n GLY 47 Ca 0.09 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 2jr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jr1 s LYS 48 N 5.93 3.02 -0.27 1.61 2.36 -1.26 -5.01 119.74 126.12 2jr1 s LYS 48 Ca 0.64 -1.43 0.01 0.00 -2.55 0.00 0.00 55.97 52.64 2jr1 s LYS 48 Cb 0.04 -4.25 0.08 0.00 -1.05 0.00 0.00 37.83 32.64 2jr1 s LYS 48 CO 0.13 -1.39 0.00 0.42 1.55 0.00 0.00 175.35 176.06 2jr1 s ILE 49 N 2.19 1.55 0.00 5.43 1.09 -1.26 -4.65 121.20 125.54 2jr1 s ILE 49 Ca 0.08 -1.49 -0.04 0.00 -1.10 0.00 0.00 60.65 58.09 2jr1 s ILE 49 Cb -0.26 -1.95 -0.20 0.00 -1.06 0.00 0.00 42.46 38.99 2jr1 s ILE 49 CO 0.06 -0.33 2.82 -0.81 -0.10 0.00 0.00 174.94 176.58 2jr1 n PRO 50 N 4.62 1.49 0.02 2.79 -0.04 -1.26 -4.43 135.00 138.20 2jr1 n PRO 50 Ca -0.06 -0.73 -0.11 0.00 -0.04 0.00 0.00 63.50 62.55 2jr1 n PRO 50 Cb 0.43 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 2jr1 n PRO 50 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jr1 h LYS 51 N 3.64 -0.14 0.00 0.54 1.63 -1.97 -0.99 116.57 119.27 2jr1 h LYS 51 Ca 0.14 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2jr1 h LYS 51 Cb 1.14 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2jr1 h LYS 51 CO 0.28 0.36 -0.03 -1.00 -3.45 0.00 0.00 179.45 175.62 2jr1 h PRO 52 N -0.82 0.00 0.39 1.90 0.13 -1.97 -0.34 132.00 131.29 2jr1 h PRO 52 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2jr1 h PRO 52 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2jr1 h PRO 52 CO 0.02 0.03 -0.19 0.35 -0.23 0.00 0.00 178.00 177.98 2jr1 h PHE 53 N 0.00 -0.49 0.00 1.56 3.57 -1.88 -2.55 116.94 117.15 2jr1 h PHE 53 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jr1 h PHE 53 Cb 0.06 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2jr1 h PHE 53 CO 0.00 -0.31 -0.05 1.49 -2.23 0.00 0.00 178.31 177.21 2jr1 h GLU 54 N -0.86 0.00 0.20 1.11 4.81 -1.16 0.16 114.58 118.83 2jr1 h GLU 54 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2jr1 h GLU 54 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2jr1 h GLU 54 CO 0.09 0.05 -0.09 0.00 -0.73 0.00 0.00 179.01 178.33 2jr1 h ALA 55 N 1.95 -0.26 -0.88 2.92 0.00 -1.21 -2.70 119.26 119.09 2jr1 h ALA 55 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jr1 h ALA 55 Cb 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2jr1 h ALA 55 CO 0.01 -0.43 0.55 2.35 0.00 0.00 0.00 179.25 181.73 2jr1 h TRP 56 N -0.70 1.13 0.00 0.00 2.91 -1.03 0.13 115.95 118.39 2jr1 h TRP 56 Ca -0.03 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2jr1 h TRP 56 Cb 0.49 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 2jr1 h TRP 56 CO 0.05 0.74 0.00 -0.89 -1.03 0.00 0.00 178.44 177.31 2jr1 n ILE 57 N -4.44 0.97 -0.14 2.65 2.08 0.53 -3.45 119.36 117.56 2jr1 n ILE 57 Ca 0.09 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.65 2jr1 n ILE 57 Cb 0.04 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 2jr1 n ILE 57 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jr1 n GLY 58 N -1.00 0.23 0.04 7.39 0.00 -0.40 -3.60 105.19 107.85 2jr1 n GLY 58 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2jr1 n GLY 58 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jr1 h THR 59 N 0.14 1.00 0.00 2.61 2.02 -0.84 -3.34 112.91 114.51 2jr1 h THR 59 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2jr1 h THR 59 Cb 0.07 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2jr1 h THR 59 CO 0.00 0.00 -0.95 0.00 0.37 0.00 0.00 175.52 174.95 2jr1 n ALA 60 N -2.10 1.96 0.27 6.16 0.00 -1.26 -4.84 120.51 120.71 2jr1 n ALA 60 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2jr1 n ALA 60 Cb 0.03 0.31 0.78 0.00 0.00 0.00 0.00 19.45 20.57 2jr1 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jr1 h ALA 61 N 0.00 1.43 -0.87 0.00 0.00 -1.78 -3.30 119.26 114.75 2jr1 h ALA 61 Ca 0.00 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.06 2jr1 h ALA 61 Cb 0.95 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 2jr1 h ALA 61 CO 0.00 0.10 0.28 -0.92 0.00 0.00 0.00 179.25 178.71 2jr1 h TYR 62 N 0.00 0.45 -0.82 0.00 3.20 -1.67 0.13 116.97 118.25 2jr1 h TYR 62 Ca -0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2jr1 h TYR 62 Cb 0.20 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2jr1 h TYR 62 CO 0.00 -0.14 0.54 0.00 -1.64 0.00 0.00 178.16 176.92 2jr1 h THR 63 N 0.28 1.18 -0.15 1.81 1.03 -1.89 0.52 112.91 115.70 2jr1 h THR 63 Ca 0.54 -0.37 -0.16 0.00 -0.01 0.00 0.00 66.41 66.41 2jr1 h THR 63 Cb 1.05 0.00 0.01 0.00 -1.07 0.00 0.00 68.15 68.14 2jr1 h THR 63 CO -0.59 0.20 -0.52 0.00 -0.01 0.00 0.00 175.52 174.60 2jr1 h ALA 64 N 1.32 0.27 -0.69 0.00 0.00 -1.59 -3.03 119.26 115.53 2jr1 h ALA 64 Ca 0.31 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jr1 h ALA 64 Cb -0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2jr1 h ALA 64 CO -0.08 0.46 0.36 2.35 0.00 0.00 0.00 179.25 182.33 2jr1 h TRP 65 N 0.27 0.65 -0.25 0.00 7.01 -0.72 -1.85 115.95 121.07 2jr1 h TRP 65 Ca -0.02 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2jr1 h TRP 65 Cb 1.14 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 2jr1 h TRP 65 CO 0.10 0.27 -0.17 0.87 -2.79 0.00 0.00 178.44 176.71 2jr1 h LYS 66 N 0.63 0.43 -0.69 2.65 1.79 -0.99 0.39 116.57 120.78 2jr1 h LYS 66 Ca 0.33 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2jr1 h LYS 66 Cb 0.29 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 2jr1 h LYS 66 CO -0.23 0.60 0.23 0.00 -1.08 0.00 0.00 179.45 178.97 2jr1 h ALA 67 N 1.42 0.91 -0.04 3.86 0.00 -1.41 -3.35 119.26 120.65 2jr1 h ALA 67 Ca 0.07 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2jr1 h ALA 67 Cb 0.54 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jr1 h ALA 67 CO 0.03 0.57 -0.83 0.87 0.00 0.00 0.00 179.25 179.90 2jr1 h LYS 68 N 1.01 0.39 -3.86 0.00 1.57 -1.07 -3.48 116.57 111.13 2jr1 h LYS 68 Ca 0.23 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 2jr1 h LYS 68 Cb 0.28 0.09 -0.19 0.00 0.08 0.00 0.00 32.23 32.50 2jr1 h LYS 68 CO -0.01 1.03 -0.59 -1.01 -0.57 0.00 0.00 179.45 178.31 2jr1 s HIS 69 N -3.43 0.23 0.00 -1.35 3.76 0.10 -5.10 115.29 109.50 2jr1 s HIS 69 Ca -0.06 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jr1 s HIS 69 Cb 0.10 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.62 2jr1 s HIS 69 CO 0.85 -0.31 0.23 -0.35 -0.85 0.00 0.00 174.74 174.32 2jr1 n PRO 70 N 1.02 0.00 -3.22 8.40 -0.04 -1.26 -4.13 135.00 135.77 2jr1 n PRO 70 Ca -0.20 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.02 2jr1 n PRO 70 Cb 0.57 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 33.24 2jr1 n PRO 70 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jr1 n ASP 71 N -0.50 0.94 -0.04 3.54 2.03 -1.26 -4.82 116.55 116.44 2jr1 n ASP 71 Ca 0.00 -2.88 -0.11 0.00 0.52 0.00 0.00 54.79 52.31 2jr1 n ASP 71 Cb 0.00 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.66 2jr1 n ASP 71 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2jr1 h GLU 72 N 3.85 -0.04 -6.92 -0.67 4.81 -1.93 -3.46 114.58 110.22 2jr1 h GLU 72 Ca 0.10 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.82 2jr1 h GLU 72 Cb 0.85 0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.29 2jr1 h GLU 72 CO 0.53 0.66 0.52 0.21 -0.73 0.00 0.00 179.01 180.21 2jr1 s LYS 73 N -2.60 4.13 0.11 1.92 2.36 -1.26 -4.07 119.74 120.33 2jr1 s LYS 73 Ca -0.15 1.90 -0.30 0.00 -2.55 0.00 0.00 55.97 54.86 2jr1 s LYS 73 Cb -0.01 -2.77 -0.06 0.00 -1.05 0.00 0.00 37.83 33.94 2jr1 s LYS 73 CO 0.55 -0.27 1.12 0.12 1.55 0.00 0.00 175.35 178.43 2jr1 s PHE 74 N -1.35 3.54 -1.12 4.03 5.36 -1.26 -4.95 117.98 122.23 2jr1 s PHE 74 Ca 0.55 1.50 -0.20 0.00 -0.96 0.00 0.00 56.93 57.82 2jr1 s PHE 74 Cb -0.32 -3.31 -0.06 0.00 -0.34 0.00 0.00 43.02 38.99 2jr1 s PHE 74 CO 0.41 -0.78 1.94 -0.35 -1.46 0.00 0.00 175.22 174.98 2jr1 n PRO 75 N 3.15 2.10 -3.48 10.12 -0.04 -1.26 -4.94 135.00 140.66 2jr1 n PRO 75 Ca 0.05 -2.46 -0.37 0.00 -0.04 0.00 0.00 63.50 60.69 2jr1 n PRO 75 Cb 0.47 -3.36 -0.07 0.00 -0.04 0.00 0.00 33.50 30.51 2jr1 n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jr1 s ALA 76 N 6.47 3.57 0.38 0.55 0.00 -1.26 -5.11 121.76 126.35 2jr1 s ALA 76 Ca 0.58 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2jr1 s ALA 76 Cb 0.07 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 2jr1 s ALA 76 CO 0.08 0.10 0.54 -0.59 0.00 0.00 0.00 175.76 175.89 2jr1 s PHE 77 N 0.40 3.10 -0.71 0.00 -0.71 -1.26 -4.32 117.98 114.47 2jr1 s PHE 77 Ca 0.20 -0.12 -0.27 0.00 -1.04 0.00 0.00 56.93 55.69 2jr1 s PHE 77 Cb -0.14 -2.15 0.03 0.00 -1.21 0.00 0.00 43.02 39.56 2jr1 s PHE 77 CO 0.06 -0.18 1.27 -1.25 -1.34 0.00 0.00 175.22 173.78 2jr1 s PRO 78 N -4.31 3.25 0.00 1.99 0.04 -1.26 -4.68 135.00 130.03 2jr1 s PRO 78 Ca 0.47 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2jr1 s PRO 78 Cb -0.10 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2jr1 s PRO 78 CO 0.33 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.72