#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 -0.41 -3.60 4.37 -0.73 -2.02 -3.39 115.58 109.79 2jr1 h ASN 2 Ca 0.00 -0.15 -0.59 0.00 1.87 0.00 0.00 56.30 57.43 2jr1 h ASN 2 Cb 0.00 0.11 -0.10 0.00 0.27 0.00 0.00 38.32 38.60 2jr1 h ASN 2 CO 0.00 -0.02 0.63 0.54 -0.37 0.00 0.00 177.43 178.21 2jr1 s VAL 3 N -4.46 4.48 -0.30 2.57 0.11 -1.26 -4.94 120.40 116.60 2jr1 s VAL 3 Ca -0.14 0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 59.85 2jr1 s VAL 3 Cb 0.02 -4.42 0.18 0.00 -1.53 0.00 0.00 36.38 30.64 2jr1 s VAL 3 CO 0.50 -0.74 0.68 -0.75 -3.33 0.00 0.00 175.10 171.46 2jr1 s LYS 4 N 3.73 0.50 0.95 1.54 2.36 -1.26 -5.18 119.74 122.38 2jr1 s LYS 4 Ca 0.39 0.91 -0.12 0.00 -2.55 0.00 0.00 55.97 54.60 2jr1 s LYS 4 Cb -0.10 0.51 0.16 0.00 -1.05 0.00 0.00 37.83 37.35 2jr1 s LYS 4 CO 0.24 -0.52 1.10 -1.14 1.55 0.00 0.00 175.35 176.58 2jr1 s GLN 5 N 2.87 0.79 0.67 4.03 -0.44 -1.26 -4.95 119.66 121.37 2jr1 s GLN 5 Ca 0.16 0.52 -0.11 0.00 -2.50 0.00 0.00 55.36 53.42 2jr1 s GLN 5 Cb -0.14 -1.78 -0.01 0.00 -1.64 0.00 0.00 33.01 29.44 2jr1 s GLN 5 CO -0.19 -2.49 1.07 0.15 0.50 0.00 0.00 175.29 174.33 2jr1 s LYS 6 N -5.04 3.18 -0.26 1.67 -0.14 -1.26 -5.02 119.74 112.86 2jr1 s LYS 6 Ca 0.64 0.59 -0.03 0.00 -1.36 0.00 0.00 55.97 55.82 2jr1 s LYS 6 Cb -0.17 -2.05 0.15 0.00 -1.68 0.00 0.00 37.83 34.08 2jr1 s LYS 6 CO 0.56 -0.84 0.47 -1.12 -0.76 0.00 0.00 175.35 173.67 2jr1 s SER 7 N -4.27 -0.42 -0.30 2.83 0.01 -1.26 -4.98 113.70 105.30 2jr1 s SER 7 Ca 0.57 0.56 -0.02 0.00 1.31 0.00 0.00 55.95 58.36 2jr1 s SER 7 Cb -0.11 1.55 0.04 0.00 0.21 0.00 0.00 66.02 67.71 2jr1 s SER 7 CO 0.53 -0.28 0.01 -1.61 0.41 0.00 0.00 173.24 172.30 2jr1 s GLU 8 N 2.67 2.51 0.04 12.44 2.02 -1.25 -3.16 118.70 133.97 2jr1 s GLU 8 Ca 0.14 -1.22 0.09 0.00 0.02 0.00 0.00 54.97 54.00 2jr1 s GLU 8 Cb -0.15 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 2jr1 s GLU 8 CO -0.17 -0.60 -0.24 0.42 0.02 0.00 0.00 175.26 174.69 2jr1 s ILE 9 N 1.28 2.33 0.66 -1.63 -1.09 -0.33 -5.02 121.20 117.41 2jr1 s ILE 9 Ca -0.04 -1.31 -0.11 0.00 -2.23 0.00 0.00 60.65 56.96 2jr1 s ILE 9 Cb -0.19 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.75 2jr1 s ILE 9 CO -0.01 0.37 1.05 -0.89 -1.23 0.00 0.00 174.94 174.23 2jr1 s THR 10 N -0.83 4.30 0.51 2.92 2.01 -1.26 -3.47 115.64 119.82 2jr1 s THR 10 Ca 0.12 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 2jr1 s THR 10 Cb -0.10 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 2jr1 s THR 10 CO 0.03 -0.97 1.28 0.00 -0.69 0.00 0.00 174.62 174.26 2jr1 s ALA 11 N -3.11 2.87 0.08 7.40 0.00 -1.10 -4.86 121.76 123.03 2jr1 s ALA 11 Ca 0.57 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.72 2jr1 s ALA 11 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2jr1 s ALA 11 CO 0.54 -1.08 -0.09 -1.17 0.00 0.00 0.00 175.76 173.96 2jr1 s LEU 12 N -3.35 2.36 0.43 0.00 2.96 -1.26 -4.91 118.68 114.92 2jr1 s LEU 12 Ca 0.69 -0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 2jr1 s LEU 12 Cb -0.35 -0.24 -0.08 0.00 0.50 0.00 0.00 46.19 46.02 2jr1 s LEU 12 CO 0.42 -0.26 1.26 0.68 -1.32 0.00 0.00 176.35 177.13 2jr1 s VAL 13 N -2.17 2.73 0.36 1.68 -7.23 -1.26 -3.98 120.40 110.53 2jr1 s VAL 13 Ca 0.01 0.61 -0.27 0.00 -1.81 0.00 0.00 61.98 60.52 2jr1 s VAL 13 Cb -0.05 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.46 2jr1 s VAL 13 CO -0.00 0.05 1.19 -0.75 -0.31 0.00 0.00 175.10 175.28 2jr1 s LYS 14 N -2.43 4.25 -0.18 4.82 2.47 -0.67 -4.92 119.74 123.08 2jr1 s LYS 14 Ca 0.60 1.92 -0.29 0.00 -1.56 0.00 0.00 55.97 56.64 2jr1 s LYS 14 Cb -0.35 -2.88 -0.03 0.00 -1.46 0.00 0.00 37.83 33.12 2jr1 s LYS 14 CO 0.44 -0.18 1.52 -1.83 0.16 0.00 0.00 175.35 175.46 2jr1 s GLU 15 N -2.00 3.99 -0.09 4.03 1.03 -1.26 -4.61 118.70 119.78 2jr1 s GLU 15 Ca 0.52 1.73 -0.11 0.00 0.03 0.00 0.00 54.97 57.15 2jr1 s GLU 15 Cb -0.33 -3.95 0.03 0.00 -0.80 0.00 0.00 34.13 29.07 2jr1 s GLU 15 CO 0.42 -1.05 0.29 0.08 -1.33 0.00 0.00 175.26 173.67 2jr1 s VAL 16 N 4.50 0.01 0.08 1.83 1.01 -1.26 -5.09 120.40 121.48 2jr1 s VAL 16 Ca 0.67 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2jr1 s VAL 16 Cb -0.25 -0.46 -0.17 0.00 0.00 0.00 0.00 36.38 35.50 2jr1 s VAL 16 CO 0.26 -0.07 1.65 0.74 0.00 0.00 0.00 175.10 177.68 2jr1 h THR 17 N 4.51 0.50 -4.41 3.92 2.02 -1.95 -3.44 112.91 114.06 2jr1 h THR 17 Ca -0.27 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.42 2jr1 h THR 17 Cb 1.19 0.50 0.09 0.00 -1.74 0.00 0.00 68.15 68.19 2jr1 h THR 17 CO 0.34 0.00 0.39 -2.16 0.37 0.00 0.00 175.52 174.45 2jr1 s PRO 18 N -6.09 2.54 -1.08 6.66 0.04 -1.26 -4.96 135.00 130.85 2jr1 s PRO 18 Ca -0.16 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 61.22 2jr1 s PRO 18 Cb 0.04 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2jr1 s PRO 18 CO 0.63 -1.27 2.10 -0.35 0.04 0.00 0.00 177.00 178.15 2jr1 n PRO 19 N -3.18 2.15 -3.68 0.56 -0.04 -1.26 -4.79 135.00 124.76 2jr1 n PRO 19 Ca 0.07 -2.11 -0.29 0.00 -0.04 0.00 0.00 63.50 61.13 2jr1 n PRO 19 Cb 0.57 -3.01 -0.15 0.00 -0.04 0.00 0.00 33.50 30.87 2jr1 n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jr1 s ARG 20 N 4.08 0.55 -0.54 0.54 3.52 -1.26 -5.11 118.95 120.73 2jr1 s ARG 20 Ca 0.53 -0.84 -0.19 0.00 -0.13 0.00 0.00 55.73 55.09 2jr1 s ARG 20 Cb 0.14 -1.76 0.07 0.00 -1.56 0.00 0.00 34.95 31.84 2jr1 s ARG 20 CO 0.02 -0.96 0.65 0.15 -0.81 0.00 0.00 175.30 174.35 2jr1 s LYS 21 N 1.78 3.09 0.26 5.12 -0.14 -1.26 -4.82 119.74 123.77 2jr1 s LYS 21 Ca 0.08 -1.06 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 2jr1 s LYS 21 Cb -0.17 -4.16 -0.09 0.00 -1.68 0.00 0.00 37.83 31.73 2jr1 s LYS 21 CO -0.27 -1.33 1.14 0.00 -0.76 0.00 0.00 175.35 174.13 2jr1 s ALA 22 N 2.62 3.42 -1.35 5.17 0.00 -1.26 -4.82 121.76 125.54 2jr1 s ALA 22 Ca 0.13 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 2jr1 s ALA 22 Cb -0.21 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2jr1 s ALA 22 CO 0.10 -0.26 1.97 -0.35 0.00 0.00 0.00 175.76 177.22 2jr1 n PRO 23 N 1.47 2.93 -2.55 0.00 -0.04 -1.26 -1.67 135.00 133.89 2jr1 n PRO 23 Ca 0.00 -2.91 -0.42 0.00 -0.04 0.00 0.00 63.50 60.13 2jr1 n PRO 23 Cb 0.44 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 2jr1 n PRO 23 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jr1 s SER 24 N 3.89 7.22 -1.02 3.54 1.04 -1.26 -4.97 113.70 122.14 2jr1 s SER 24 Ca 0.52 1.86 -0.23 0.00 0.48 0.00 0.00 55.95 58.57 2jr1 s SER 24 Cb 0.09 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.64 2jr1 s SER 24 CO 0.01 -0.37 1.68 -0.54 0.98 0.00 0.00 173.24 175.01 2jr1 s LYS 25 N 0.99 3.19 -0.22 4.02 3.01 -1.26 -4.01 119.74 125.47 2jr1 s LYS 25 Ca 0.55 -0.91 -0.15 0.00 -1.01 0.00 0.00 55.97 54.45 2jr1 s LYS 25 Cb -0.26 -5.26 -0.04 0.00 -1.01 0.00 0.00 37.83 31.26 2jr1 s LYS 25 CO 0.29 -2.75 0.37 0.00 0.51 0.00 0.00 175.35 173.77 2jr1 s ALA 26 N 7.12 3.57 -0.09 5.17 0.00 -1.26 -2.17 121.76 134.09 2jr1 s ALA 26 Ca 0.57 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2jr1 s ALA 26 Cb -0.02 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.50 2jr1 s ALA 26 CO -0.03 -0.36 -0.10 0.15 0.00 0.00 0.00 175.76 175.41 2jr1 s LYS 27 N 1.43 1.64 -0.31 0.00 3.01 -0.71 -2.71 119.74 122.09 2jr1 s LYS 27 Ca 0.17 -0.35 0.01 0.00 -1.01 0.00 0.00 55.97 54.79 2jr1 s LYS 27 Cb -0.15 -1.49 0.10 0.00 -1.01 0.00 0.00 37.83 35.28 2jr1 s LYS 27 CO 0.08 -0.10 0.07 1.03 0.51 0.00 0.00 175.35 176.94 2jr1 s ARG 28 N 1.11 1.03 0.01 1.68 0.52 -1.23 -1.50 118.95 120.57 2jr1 s ARG 28 Ca -0.06 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.83 2jr1 s ARG 28 Cb -0.14 -2.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 2jr1 s ARG 28 CO -0.02 -0.94 -0.07 -1.21 0.02 0.00 0.00 175.30 173.08 2jr1 s GLU 29 N 1.36 0.51 -0.27 3.54 8.01 -1.17 -1.18 118.70 129.49 2jr1 s GLU 29 Ca 0.09 -0.42 -0.18 0.00 0.01 0.00 0.00 54.97 54.47 2jr1 s GLU 29 Cb -0.18 -0.43 -0.02 0.00 -4.31 0.00 0.00 34.13 29.19 2jr1 s GLU 29 CO -0.18 0.11 0.52 0.00 0.01 0.00 0.00 175.26 175.72 2jr1 s ALA 30 N -0.58 3.58 0.00 5.21 0.00 -1.19 -1.15 121.76 127.63 2jr1 s ALA 30 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2jr1 s ALA 30 Cb -0.05 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2jr1 s ALA 30 CO 0.00 -0.80 0.00 -0.35 0.00 0.00 0.00 175.76 174.61 2jr1 n PRO 31 N 5.59 0.00 -5.01 0.00 -0.04 -1.26 -4.80 135.00 129.48 2jr1 n PRO 31 Ca -0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 2jr1 n PRO 31 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 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 1.34 2.66 0.24 0.52 -4.36 -1.26 -4.72 121.20 115.61 2jr1 s ILE 32 Ca 0.00 -0.84 0.22 0.00 -0.26 0.00 0.00 60.65 59.77 2jr1 s ILE 32 Cb 0.00 -2.04 0.20 0.00 1.25 0.00 0.00 42.46 41.87 2jr1 s ILE 32 CO 0.00 0.56 1.86 0.50 0.24 0.00 0.00 174.94 178.10 2jr1 h LYS 33 N 6.03 0.00 -0.48 0.37 1.63 -1.93 -1.97 116.57 120.22 2jr1 h LYS 33 Ca -0.34 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.43 2jr1 h LYS 33 Cb 1.18 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2jr1 h LYS 33 CO 0.50 0.26 0.18 -0.92 -3.45 0.00 0.00 179.45 176.03 2jr1 h TYR 34 N 0.00 0.69 0.00 1.91 3.20 -1.97 -3.36 116.97 117.44 2jr1 h TYR 34 Ca -0.00 -0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.59 2jr1 h TYR 34 Cb 0.69 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2jr1 h TYR 34 CO 0.00 0.55 -1.46 1.87 -1.64 0.00 0.00 178.16 177.48 2jr1 n TRP 35 N -4.34 0.71 -4.23 -3.82 -0.00 -1.22 -4.98 117.44 99.55 2jr1 n TRP 35 Ca 0.04 0.31 -0.34 0.00 -0.00 0.00 0.00 57.50 57.50 2jr1 n TRP 35 Cb 0.16 -1.00 -0.11 0.00 -0.00 0.00 0.00 31.31 30.36 2jr1 n TRP 35 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2jr1 s LEU 36 N -7.83 3.50 0.56 5.87 1.43 -0.74 -5.04 118.68 116.41 2jr1 s LEU 36 Ca -0.29 -0.04 0.32 0.00 -1.03 0.00 0.00 54.13 53.09 2jr1 s LEU 36 Cb 0.07 -1.86 1.62 0.00 0.03 0.00 0.00 46.19 46.05 2jr1 s LEU 36 CO 0.51 0.17 2.11 1.55 0.23 0.00 0.00 176.35 180.92 2jr1 h PRO 37 N 6.68 0.00 -4.85 1.29 0.13 -1.85 -3.37 132.00 130.03 2jr1 h PRO 37 Ca -0.34 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 2jr1 h PRO 37 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 2jr1 h PRO 37 CO 0.66 0.07 -0.73 -1.58 -0.23 0.00 0.00 178.00 176.20 2jr1 s HIS 38 N -4.08 3.15 -0.61 1.56 2.46 -1.26 -4.83 115.29 111.67 2jr1 s HIS 38 Ca -0.02 -1.68 -0.21 0.00 0.47 0.00 0.00 55.06 53.61 2jr1 s HIS 38 Cb 0.12 -2.08 0.08 0.00 -0.13 0.00 0.00 32.58 30.57 2jr1 s HIS 38 CO 0.54 -0.76 0.85 -1.54 -2.47 0.00 0.00 174.74 171.37 2jr1 s SER 39 N 1.30 6.20 0.00 9.88 1.04 -1.26 -4.66 113.70 126.19 2jr1 s SER 39 Ca -0.02 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2jr1 s SER 39 Cb -0.18 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2jr1 s SER 39 CO -0.03 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2jr1 n GLY 40 N 5.28 -0.38 3.29 7.32 0.00 -1.19 -4.58 105.19 114.93 2jr1 n GLY 40 Ca -0.05 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 2.81 -0.26 4.61 0.00 -0.30 -4.86 121.76 123.76 2jr1 s ALA 41 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 2jr1 s ALA 41 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2jr1 s ALA 41 CO 0.00 -0.52 0.73 -0.08 0.00 0.00 0.00 175.76 175.88 2jr1 s THR 42 N 1.46 4.90 -0.24 0.00 -1.32 -1.26 -3.06 115.64 116.12 2jr1 s THR 42 Ca 0.05 1.29 0.01 0.00 -1.21 0.00 0.00 61.69 61.83 2jr1 s THR 42 Cb -0.15 -4.03 0.06 0.00 -1.51 0.00 0.00 72.50 66.87 2jr1 s THR 42 CO -0.03 -0.06 -0.07 0.86 -2.21 0.00 0.00 174.62 173.11 2jr1 s TRP 43 N 2.70 2.58 -0.55 9.09 -0.11 -0.56 -5.02 118.94 127.07 2jr1 s TRP 43 Ca 0.30 -1.86 -0.17 0.00 1.22 0.00 0.00 56.10 55.58 2jr1 s TRP 43 Cb -0.15 -1.66 0.10 0.00 -1.50 0.00 0.00 33.47 30.26 2jr1 s TRP 43 CO 0.09 -0.79 0.58 -1.54 -4.62 0.00 0.00 176.95 170.66 2jr1 s SER 44 N 1.33 6.19 0.00 5.86 1.04 -1.26 -1.74 113.70 125.12 2jr1 s SER 44 Ca -0.06 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.91 2jr1 s SER 44 Cb -0.19 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2jr1 s SER 44 CO -0.06 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2jr1 n GLY 45 N 5.24 -0.04 3.74 7.32 0.00 -0.92 -4.92 105.19 115.61 2jr1 n GLY 45 Ca -0.11 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.67 -1.21 1.61 3.00 -1.26 -3.99 118.95 121.77 2jr1 s ARG 46 Ca 0.00 1.63 -0.20 0.00 -1.00 0.00 0.00 55.73 56.16 2jr1 s ARG 46 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 2jr1 s ARG 46 CO 0.00 0.20 1.90 0.41 0.00 0.00 0.00 175.30 177.81 2jr1 n GLY 47 N 1.90 2.31 3.67 8.12 0.00 -1.26 -4.85 105.19 115.07 2jr1 n GLY 47 Ca 0.01 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2jr1 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jr1 s LYS 48 N 4.95 4.29 -0.21 1.61 0.00 -1.26 -5.06 119.74 124.06 2jr1 s LYS 48 Ca 0.58 0.92 -0.01 0.00 0.00 0.00 0.00 55.97 57.47 2jr1 s LYS 48 Cb 0.05 -3.57 0.06 0.00 0.00 0.00 0.00 37.83 34.37 2jr1 s LYS 48 CO 0.08 -0.28 -0.02 0.42 0.00 0.00 0.00 175.35 175.54 2jr1 s ILE 49 N 2.01 1.13 -0.00 3.79 1.09 -1.26 -4.78 121.20 123.18 2jr1 s ILE 49 Ca 0.36 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 2jr1 s ILE 49 Cb -0.16 -1.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.78 2jr1 s ILE 49 CO 0.12 -0.10 1.29 -0.81 -0.10 0.00 0.00 174.94 175.35 2jr1 n PRO 50 N 4.83 1.01 -0.03 2.79 -0.04 -1.26 -4.43 135.00 137.87 2jr1 n PRO 50 Ca -0.11 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 2jr1 n PRO 50 Cb 0.46 -1.01 -0.10 0.00 -0.04 0.00 0.00 33.50 32.82 2jr1 n PRO 50 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jr1 h LYS 51 N 0.29 0.11 0.00 0.54 6.56 -1.97 0.24 116.57 122.33 2jr1 h LYS 51 Ca 0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2jr1 h LYS 51 Cb 1.01 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.67 2jr1 h LYS 51 CO 0.01 0.63 -0.02 -1.00 -2.06 0.00 0.00 179.45 177.00 2jr1 h PRO 52 N -0.41 0.00 0.42 3.15 0.13 -1.97 -0.30 132.00 133.01 2jr1 h PRO 52 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2jr1 h PRO 52 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2jr1 h PRO 52 CO 0.01 0.02 -0.20 0.35 -0.23 0.00 0.00 178.00 177.95 2jr1 h PHE 53 N 0.00 -0.53 -0.23 1.56 3.57 -1.88 -3.02 116.94 116.42 2jr1 h PHE 53 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2jr1 h PHE 53 Cb 0.05 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2jr1 h PHE 53 CO 0.00 -0.33 0.17 1.49 -2.23 0.00 0.00 178.31 177.41 2jr1 h GLU 54 N -0.82 0.00 0.35 1.11 4.81 -0.89 0.11 114.58 119.25 2jr1 h GLU 54 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2jr1 h GLU 54 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jr1 h GLU 54 CO 0.10 0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 178.21 2jr1 h ALA 55 N 1.87 -0.48 -0.09 2.92 0.00 -1.19 -2.47 119.26 119.83 2jr1 h ALA 55 Ca 0.11 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2jr1 h ALA 55 Cb 0.45 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jr1 h ALA 55 CO -0.00 -0.63 -0.42 2.35 0.00 0.00 0.00 179.25 180.54 2jr1 h TRP 56 N -0.74 0.22 0.00 0.00 7.01 -1.36 0.11 115.95 121.19 2jr1 h TRP 56 Ca -0.05 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.89 2jr1 h TRP 56 Cb 0.51 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 2jr1 h TRP 56 CO 0.01 0.59 0.00 -0.89 -2.79 0.00 0.00 178.44 175.35 2jr1 n ILE 57 N -4.02 0.15 0.00 2.65 2.08 0.36 -3.78 119.36 116.80 2jr1 n ILE 57 Ca -0.02 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2jr1 n ILE 57 Cb 0.48 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.45 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 -0.56 0.00 0.27 7.39 0.00 -0.46 -3.82 105.19 108.00 2jr1 n GLY 58 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.51 0.00 2.61 2.02 -0.94 -3.17 112.91 113.95 2jr1 h THR 59 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2jr1 h THR 59 Cb 0.17 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2jr1 h THR 59 CO 0.00 0.05 -0.88 0.00 0.37 0.00 0.00 175.52 175.06 2jr1 n ALA 60 N -2.66 1.92 0.25 6.16 0.00 -1.26 -4.89 120.51 120.03 2jr1 n ALA 60 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2jr1 n ALA 60 Cb 0.46 0.30 0.82 0.00 0.00 0.00 0.00 19.45 21.03 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 1.76 -0.94 0.00 0.00 -1.79 -3.23 119.26 115.07 2jr1 h ALA 61 Ca 0.00 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.17 2jr1 h ALA 61 Cb 0.88 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2jr1 h ALA 61 CO 0.00 -0.11 0.42 -0.92 0.00 0.00 0.00 179.25 178.64 2jr1 h TYR 62 N 0.00 0.68 -0.76 0.00 3.20 -1.65 0.84 116.97 119.27 2jr1 h TYR 62 Ca 0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2jr1 h TYR 62 Cb 0.18 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2jr1 h TYR 62 CO 0.00 -0.15 0.40 0.00 -1.64 0.00 0.00 178.16 176.78 2jr1 h THR 63 N 0.32 1.23 -0.03 1.81 1.03 -1.86 0.25 112.91 115.65 2jr1 h THR 63 Ca 0.63 -0.59 -0.25 0.00 -0.01 0.00 0.00 66.41 66.19 2jr1 h THR 63 Cb 1.32 0.21 0.02 0.00 -1.07 0.00 0.00 68.15 68.63 2jr1 h THR 63 CO -0.60 0.26 -0.95 0.00 -0.01 0.00 0.00 175.52 174.22 2jr1 h ALA 64 N 1.37 0.16 -0.72 0.00 0.00 -1.61 -3.27 119.26 115.19 2jr1 h ALA 64 Ca 0.27 -0.67 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2jr1 h ALA 64 Cb 0.05 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2jr1 h ALA 64 CO -0.04 0.66 0.38 2.35 0.00 0.00 0.00 179.25 182.59 2jr1 h TRP 65 N 0.39 0.68 -0.34 0.00 7.01 -0.78 -2.56 115.95 120.35 2jr1 h TRP 65 Ca -0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 2jr1 h TRP 65 Cb 1.60 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 28.45 2jr1 h TRP 65 CO 0.10 0.27 0.13 0.87 -2.79 0.00 0.00 178.44 177.02 2jr1 h LYS 66 N 0.65 0.48 -0.56 2.65 1.79 -1.07 0.01 116.57 120.52 2jr1 h LYS 66 Ca 0.35 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.67 2jr1 h LYS 66 Cb 0.33 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2jr1 h LYS 66 CO -0.25 0.41 0.01 0.00 -1.08 0.00 0.00 179.45 178.54 2jr1 h ALA 67 N 1.67 0.96 -0.17 3.86 0.00 -1.57 -3.35 119.26 120.66 2jr1 h ALA 67 Ca 0.12 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 2jr1 h ALA 67 Cb 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jr1 h ALA 67 CO -0.01 0.63 -0.67 0.87 0.00 0.00 0.00 179.25 180.07 2jr1 h LYS 68 N 0.88 0.75 -4.17 0.00 1.57 -1.03 -3.47 116.57 111.10 2jr1 h LYS 68 Ca 0.17 -0.58 -0.18 0.00 -1.87 0.00 0.00 60.65 58.18 2jr1 h LYS 68 Cb 0.50 0.11 -0.20 0.00 0.08 0.00 0.00 32.23 32.73 2jr1 h LYS 68 CO 0.02 1.20 -0.70 -1.01 -0.57 0.00 0.00 179.45 178.39 2jr1 s HIS 69 N -3.81 0.41 -0.00 -1.35 3.76 -0.05 -5.11 115.29 109.14 2jr1 s HIS 69 Ca -0.11 -0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 54.13 2jr1 s HIS 69 Cb 0.08 -0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 2jr1 s HIS 69 CO 0.88 -0.21 0.57 -1.00 -0.85 0.00 0.00 174.74 174.14 2jr1 h PRO 70 N 4.24 -0.06 -1.89 8.40 0.13 -1.85 -3.37 132.00 137.60 2jr1 h PRO 70 Ca -0.33 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.26 2jr1 h PRO 70 Cb 1.19 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 2jr1 h PRO 70 CO 0.47 -0.04 -1.08 -3.47 -0.23 0.00 0.00 178.00 173.65 2jr1 n ASP 71 N -2.25 0.03 -0.06 1.44 -0.08 -1.26 -4.84 116.55 109.53 2jr1 n ASP 71 Ca -0.01 -2.74 -0.15 0.00 -1.51 0.00 0.00 54.79 50.38 2jr1 n ASP 71 Cb 0.02 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.92 2jr1 n ASP 71 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jr1 h GLU 72 N 3.95 0.68 -6.90 -0.67 4.57 -1.95 -3.46 114.58 110.80 2jr1 h GLU 72 Ca 0.06 -0.47 -0.47 0.00 -1.18 0.00 0.00 59.36 57.31 2jr1 h GLU 72 Cb 0.89 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2jr1 h GLU 72 CO 0.45 1.09 0.35 0.21 -1.18 0.00 0.00 179.01 179.93 2jr1 s LYS 73 N -3.97 4.55 -0.09 1.92 2.36 -1.26 -4.44 119.74 118.80 2jr1 s LYS 73 Ca -0.12 1.32 -0.30 0.00 -2.55 0.00 0.00 55.97 54.33 2jr1 s LYS 73 Cb 0.08 -2.75 -0.03 0.00 -1.05 0.00 0.00 37.83 34.07 2jr1 s LYS 73 CO 0.85 0.25 1.34 0.12 1.55 0.00 0.00 175.35 179.46 2jr1 s PHE 74 N -1.65 2.78 -1.03 4.03 5.36 -1.26 -4.93 117.98 121.28 2jr1 s PHE 74 Ca 0.51 0.88 -0.23 0.00 -0.96 0.00 0.00 56.93 57.13 2jr1 s PHE 74 Cb -0.18 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 2jr1 s PHE 74 CO 0.23 -2.12 1.89 -1.25 -1.46 0.00 0.00 175.22 172.51 2jr1 s PRO 75 N 3.10 2.71 -0.16 10.12 0.04 -1.26 -4.93 135.00 144.61 2jr1 s PRO 75 Ca 0.60 -0.75 -0.07 0.00 0.04 0.00 0.00 61.00 60.82 2jr1 s PRO 75 Cb -0.26 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.06 2jr1 s PRO 75 CO 0.21 -3.41 0.08 0.00 0.04 0.00 0.00 177.00 173.91 2jr1 s ALA 76 N 9.61 3.52 0.25 8.56 0.00 -1.26 -5.12 121.76 137.32 2jr1 s ALA 76 Ca 0.66 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.95 2jr1 s ALA 76 Cb -0.04 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2jr1 s ALA 76 CO 0.03 0.32 0.38 -0.59 0.00 0.00 0.00 175.76 175.90 2jr1 s PHE 77 N -0.08 3.45 -0.56 0.00 -0.71 -1.26 -4.31 117.98 114.51 2jr1 s PHE 77 Ca 0.07 0.01 -0.28 0.00 -1.04 0.00 0.00 56.93 55.69 2jr1 s PHE 77 Cb -0.12 -1.60 0.02 0.00 -1.21 0.00 0.00 43.02 40.11 2jr1 s PHE 77 CO 0.01 0.41 1.34 -1.25 -1.34 0.00 0.00 175.22 174.39 2jr1 s PRO 78 N -4.01 3.38 0.00 1.99 0.04 -1.26 -4.76 135.00 130.39 2jr1 s PRO 78 Ca 0.35 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2jr1 s PRO 78 Cb -0.09 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2jr1 s PRO 78 CO 0.30 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.91