#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 0.60 -2.35 4.37 -1.24 -2.07 -3.44 115.58 111.46 2jr1 h ASN 2 Ca 0.00 -0.49 -0.56 0.00 0.71 0.00 0.00 56.30 55.95 2jr1 h ASN 2 Cb 0.00 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.88 2jr1 h ASN 2 CO 0.00 0.97 1.31 0.54 -1.29 0.00 0.00 177.43 178.96 2jr1 s VAL 3 N -4.28 3.22 -0.09 2.57 0.11 -1.26 -5.00 120.40 115.68 2jr1 s VAL 3 Ca -0.13 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2jr1 s VAL 3 Cb 0.07 -3.23 0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2jr1 s VAL 3 CO 0.80 -0.10 0.20 -0.75 -3.33 0.00 0.00 175.10 171.91 2jr1 s LYS 4 N 5.31 0.14 1.07 1.54 2.20 -1.26 -5.14 119.74 123.60 2jr1 s LYS 4 Ca 0.88 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 2jr1 s LYS 4 Cb -0.33 -0.15 0.23 0.00 -1.51 0.00 0.00 37.83 36.07 2jr1 s LYS 4 CO 0.35 -0.19 1.06 -0.65 -0.36 0.00 0.00 175.35 175.57 2jr1 s GLN 5 N 1.41 -0.20 0.38 4.03 -1.52 -1.26 -4.91 119.66 117.60 2jr1 s GLN 5 Ca -0.07 0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 54.20 2jr1 s GLN 5 Cb -0.11 -1.63 -0.07 0.00 -0.22 0.00 0.00 33.01 30.98 2jr1 s GLN 5 CO -0.07 -3.28 0.77 0.15 -0.25 0.00 0.00 175.29 172.61 2jr1 s LYS 6 N -4.58 3.87 -0.21 2.91 -0.14 -1.26 -5.05 119.74 115.27 2jr1 s LYS 6 Ca 0.67 0.57 0.01 0.00 -1.36 0.00 0.00 55.97 55.87 2jr1 s LYS 6 Cb -0.23 -2.39 0.05 0.00 -1.68 0.00 0.00 37.83 33.58 2jr1 s LYS 6 CO 0.62 0.02 -0.10 -1.12 -0.76 0.00 0.00 175.35 174.01 2jr1 s SER 7 N -2.84 3.60 -0.43 2.83 0.01 -1.26 -4.98 113.70 110.63 2jr1 s SER 7 Ca 0.53 -1.00 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2jr1 s SER 7 Cb -0.10 -1.26 0.11 0.00 0.21 0.00 0.00 66.02 64.98 2jr1 s SER 7 CO 0.26 -0.17 0.24 -1.61 0.41 0.00 0.00 173.24 172.38 2jr1 s GLU 8 N 1.36 2.15 -0.07 12.44 2.02 -1.25 -2.77 118.70 132.59 2jr1 s GLU 8 Ca -0.03 -1.79 -0.01 0.00 0.02 0.00 0.00 54.97 53.16 2jr1 s GLU 8 Cb -0.17 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 2jr1 s GLU 8 CO -0.08 -1.10 -0.02 0.42 0.02 0.00 0.00 175.26 174.50 2jr1 s ILE 9 N 1.21 4.11 0.82 -1.63 -1.09 -0.16 -5.00 121.20 119.46 2jr1 s ILE 9 Ca 0.07 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.01 2jr1 s ILE 9 Cb -0.24 -2.73 0.09 0.00 -1.58 0.00 0.00 42.46 38.00 2jr1 s ILE 9 CO -0.03 0.57 1.12 -0.89 -1.23 0.00 0.00 174.94 174.47 2jr1 s THR 10 N -0.90 2.81 0.22 2.92 2.01 -1.26 -3.13 115.64 118.31 2jr1 s THR 10 Ca 0.14 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.10 2jr1 s THR 10 Cb -0.11 -2.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.70 2jr1 s THR 10 CO 0.03 -0.34 1.58 0.00 -0.69 0.00 0.00 174.62 175.20 2jr1 s ALA 11 N -2.75 3.77 0.17 7.40 0.00 -1.11 -4.79 121.76 124.45 2jr1 s ALA 11 Ca 0.64 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.10 2jr1 s ALA 11 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2jr1 s ALA 11 CO 0.56 -0.84 0.11 -1.17 0.00 0.00 0.00 175.76 174.42 2jr1 s LEU 12 N 0.50 3.72 0.61 0.00 2.96 -1.26 -4.94 118.68 120.27 2jr1 s LEU 12 Ca 0.67 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.21 2jr1 s LEU 12 Cb -0.45 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2jr1 s LEU 12 CO 0.37 0.07 1.30 0.68 -1.32 0.00 0.00 176.35 177.45 2jr1 s VAL 13 N -1.75 2.14 0.30 1.68 -7.23 -1.26 -4.44 120.40 109.83 2jr1 s VAL 13 Ca 0.30 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 2jr1 s VAL 13 Cb -0.10 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.70 2jr1 s VAL 13 CO 0.23 -0.01 1.39 -0.75 -0.31 0.00 0.00 175.10 175.64 2jr1 s LYS 14 N -3.22 4.29 -0.70 4.82 2.20 -1.01 -4.94 119.74 121.18 2jr1 s LYS 14 Ca 0.78 2.29 -0.27 0.00 -0.36 0.00 0.00 55.97 58.42 2jr1 s LYS 14 Cb -0.37 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2jr1 s LYS 14 CO 0.41 -0.33 1.41 -1.21 -0.36 0.00 0.00 175.35 175.27 2jr1 s GLU 15 N -1.19 3.08 -0.07 4.03 8.01 -1.26 -4.53 118.70 126.77 2jr1 s GLU 15 Ca 0.54 -0.02 0.05 0.00 0.01 0.00 0.00 54.97 55.55 2jr1 s GLU 15 Cb -0.41 -4.22 -0.00 0.00 -4.31 0.00 0.00 34.13 25.18 2jr1 s GLU 15 CO 0.50 -2.26 -0.22 0.08 0.01 0.00 0.00 175.26 173.36 2jr1 s VAL 16 N 6.47 1.88 -0.02 2.63 1.01 -1.26 -5.09 120.40 126.02 2jr1 s VAL 16 Ca 0.43 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2jr1 s VAL 16 Cb -0.09 -1.61 -0.16 0.00 0.00 0.00 0.00 36.38 34.52 2jr1 s VAL 16 CO 0.17 0.52 1.05 0.74 0.00 0.00 0.00 175.10 177.59 2jr1 h THR 17 N 5.33 0.70 -4.10 3.92 2.02 -1.94 -3.46 112.91 115.38 2jr1 h THR 17 Ca -0.28 -0.80 -0.49 0.00 0.77 0.00 0.00 66.41 65.61 2jr1 h THR 17 Cb 1.19 1.09 0.15 0.00 -1.74 0.00 0.00 68.15 68.84 2jr1 h THR 17 CO 0.47 0.15 0.25 -2.16 0.37 0.00 0.00 175.52 174.60 2jr1 s PRO 18 N -4.09 1.36 -1.19 6.66 0.04 -1.26 -4.91 135.00 131.60 2jr1 s PRO 18 Ca -0.13 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 2jr1 s PRO 18 Cb 0.01 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2jr1 s PRO 18 CO 0.50 -2.20 1.83 -1.25 0.04 0.00 0.00 177.00 175.92 2jr1 s PRO 19 N -4.91 3.14 -0.18 0.56 0.04 -1.26 -4.85 135.00 127.54 2jr1 s PRO 19 Ca 0.63 -1.41 -0.16 0.00 0.04 0.00 0.00 61.00 60.10 2jr1 s PRO 19 Cb -0.18 -5.35 0.05 0.00 0.04 0.00 0.00 34.50 29.06 2jr1 s PRO 19 CO 0.57 -3.16 0.48 0.50 0.04 0.00 0.00 177.00 175.43 2jr1 s ARG 20 N 5.57 0.55 -0.11 4.56 6.06 -1.26 -5.17 118.95 129.14 2jr1 s ARG 20 Ca 0.61 0.69 -0.02 0.00 -2.50 0.00 0.00 55.73 54.52 2jr1 s ARG 20 Cb 0.01 0.25 0.04 0.00 0.06 0.00 0.00 34.95 35.30 2jr1 s ARG 20 CO 0.08 -0.08 0.01 0.15 -2.50 0.00 0.00 175.30 172.96 2jr1 s LYS 21 N 0.38 0.70 0.15 5.12 1.02 -1.26 -4.60 119.74 121.25 2jr1 s LYS 21 Ca -0.01 -0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.70 2jr1 s LYS 21 Cb -0.04 -1.39 -0.07 0.00 -0.52 0.00 0.00 37.83 35.81 2jr1 s LYS 21 CO -0.01 -0.41 0.65 0.00 -0.92 0.00 0.00 175.35 174.66 2jr1 s ALA 22 N 1.92 3.51 -1.29 5.17 0.00 -1.26 -4.93 121.76 124.87 2jr1 s ALA 22 Ca 0.03 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 2jr1 s ALA 22 Cb -0.14 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.31 2jr1 s ALA 22 CO -0.06 0.37 1.83 -0.35 0.00 0.00 0.00 175.76 177.55 2jr1 n PRO 23 N 1.14 2.91 -2.56 0.00 -0.04 -1.26 -2.40 135.00 132.79 2jr1 n PRO 23 Ca -0.06 -3.06 -0.42 0.00 -0.04 0.00 0.00 63.50 59.92 2jr1 n PRO 23 Cb 0.51 -3.49 -0.03 0.00 -0.04 0.00 0.00 33.50 30.44 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 4.43 7.19 -0.72 3.54 1.04 -1.26 -4.99 113.70 122.93 2jr1 s SER 24 Ca 0.55 1.79 -0.26 0.00 0.48 0.00 0.00 55.95 58.51 2jr1 s SER 24 Cb 0.05 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.61 2jr1 s SER 24 CO 0.07 -0.42 1.56 -0.54 0.98 0.00 0.00 173.24 174.88 2jr1 s LYS 25 N 1.42 2.96 -0.13 4.02 3.01 -1.21 -4.58 119.74 125.23 2jr1 s LYS 25 Ca 0.54 0.04 0.00 0.00 -1.01 0.00 0.00 55.97 55.54 2jr1 s LYS 25 Cb -0.24 -4.39 -0.01 0.00 -1.01 0.00 0.00 37.83 32.18 2jr1 s LYS 25 CO 0.26 -2.45 -0.14 0.00 0.51 0.00 0.00 175.35 173.53 2jr1 s ALA 26 N 7.24 2.57 -0.08 5.17 0.00 -1.26 -1.89 121.76 133.51 2jr1 s ALA 26 Ca 0.50 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2jr1 s ALA 26 Cb -0.09 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.89 2jr1 s ALA 26 CO 0.15 0.22 0.17 0.15 0.00 0.00 0.00 175.76 176.45 2jr1 s LYS 27 N 0.40 0.07 -0.34 0.00 3.01 -0.81 -2.74 119.74 119.34 2jr1 s LYS 27 Ca -0.11 0.53 0.03 0.00 -1.01 0.00 0.00 55.97 55.40 2jr1 s LYS 27 Cb -0.16 -0.21 0.09 0.00 -1.01 0.00 0.00 37.83 36.54 2jr1 s LYS 27 CO 0.06 -0.26 0.05 1.03 0.51 0.00 0.00 175.35 176.73 2jr1 s ARG 28 N 1.94 1.72 -0.03 1.68 0.52 -1.18 -1.65 118.95 121.95 2jr1 s ARG 28 Ca -0.01 -1.76 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 2jr1 s ARG 28 Cb -0.12 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.14 2jr1 s ARG 28 CO -0.06 -0.89 -0.08 -1.21 0.02 0.00 0.00 175.30 173.08 2jr1 s GLU 29 N 0.98 0.90 -0.15 3.54 8.01 -1.13 -0.99 118.70 129.86 2jr1 s GLU 29 Ca 0.07 -0.25 -0.23 0.00 0.01 0.00 0.00 54.97 54.57 2jr1 s GLU 29 Cb -0.20 -0.85 -0.03 0.00 -4.31 0.00 0.00 34.13 28.75 2jr1 s GLU 29 CO -0.07 0.07 0.71 0.00 0.01 0.00 0.00 175.26 175.98 2jr1 s ALA 30 N 0.32 3.48 0.00 5.21 0.00 -1.11 -1.53 121.76 128.12 2jr1 s ALA 30 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2jr1 s ALA 30 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2jr1 s ALA 30 CO 0.00 -0.44 0.00 -0.35 0.00 0.00 0.00 175.76 174.97 2jr1 n PRO 31 N 4.71 0.00 -4.04 0.00 -0.04 -1.26 -4.78 135.00 129.59 2jr1 n PRO 31 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 31 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.32 4.42 0.22 0.52 -4.36 -1.26 -4.74 121.20 118.31 2jr1 s ILE 32 Ca 0.00 -0.16 0.27 0.00 -0.26 0.00 0.00 60.65 60.50 2jr1 s ILE 32 Cb 0.00 -3.00 0.28 0.00 1.25 0.00 0.00 42.46 41.00 2jr1 s ILE 32 CO 0.00 0.43 1.94 0.50 0.24 0.00 0.00 174.94 178.05 2jr1 h LYS 33 N 7.13 0.00 -0.89 0.37 1.63 -1.97 -2.13 116.57 120.72 2jr1 h LYS 33 Ca -0.36 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.51 2jr1 h LYS 33 Cb 1.18 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.74 2jr1 h LYS 33 CO 0.65 0.15 0.56 -0.92 -3.45 0.00 0.00 179.45 176.44 2jr1 h TYR 34 N 0.00 1.03 0.00 1.91 3.20 -1.99 -3.36 116.97 117.76 2jr1 h TYR 34 Ca -0.00 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.61 2jr1 h TYR 34 Cb 0.57 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2jr1 h TYR 34 CO 0.00 0.52 -1.57 1.87 -1.64 0.00 0.00 178.16 177.34 2jr1 n TRP 35 N -4.60 0.79 -4.08 -3.82 -0.00 -1.18 -4.95 117.44 99.60 2jr1 n TRP 35 Ca 0.13 0.34 -0.35 0.00 -0.00 0.00 0.00 57.50 57.62 2jr1 n TRP 35 Cb 0.19 -1.08 -0.12 0.00 -0.00 0.00 0.00 31.31 30.30 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 -7.77 3.32 0.35 5.87 1.43 -0.81 -5.04 118.68 116.03 2jr1 s LEU 36 Ca -0.31 -0.17 0.27 0.00 -1.03 0.00 0.00 54.13 52.89 2jr1 s LEU 36 Cb 0.08 -1.84 1.18 0.00 0.03 0.00 0.00 46.19 45.64 2jr1 s LEU 36 CO 0.57 0.08 1.80 1.55 0.23 0.00 0.00 176.35 180.58 2jr1 h PRO 37 N 7.39 0.00 -4.71 1.29 0.13 -1.86 -3.36 132.00 130.88 2jr1 h PRO 37 Ca -0.36 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.10 2jr1 h PRO 37 Cb 1.18 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.95 2jr1 h PRO 37 CO 0.62 0.00 -0.69 -1.58 -0.23 0.00 0.00 178.00 176.11 2jr1 s HIS 38 N -3.48 3.48 -0.81 1.56 5.65 -1.26 -5.03 115.29 115.40 2jr1 s HIS 38 Ca 0.02 -2.40 -0.26 0.00 0.25 0.00 0.00 55.06 52.67 2jr1 s HIS 38 Cb 0.09 -2.54 0.03 0.00 -1.18 0.00 0.00 32.58 28.97 2jr1 s HIS 38 CO 0.39 -0.90 1.42 -1.54 -0.65 0.00 0.00 174.74 173.46 2jr1 s SER 39 N 1.25 6.10 0.00 9.88 1.04 -1.26 -4.63 113.70 126.08 2jr1 s SER 39 Ca 0.01 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2jr1 s SER 39 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2jr1 s SER 39 CO -0.04 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2jr1 n GLY 40 N 5.88 -0.57 3.32 7.32 0.00 -1.25 -4.55 105.19 115.33 2jr1 n GLY 40 Ca 0.14 0.40 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 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 2.90 -0.39 4.61 0.00 -0.59 -4.87 121.76 123.43 2jr1 s ALA 41 Ca 0.00 -1.29 -0.24 0.00 0.00 0.00 0.00 51.96 50.43 2jr1 s ALA 41 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2jr1 s ALA 41 CO 0.00 -0.63 0.84 -0.08 0.00 0.00 0.00 175.76 175.90 2jr1 s THR 42 N 1.47 4.65 -0.31 0.00 -1.32 -1.26 -2.85 115.64 116.01 2jr1 s THR 42 Ca 0.04 0.90 -0.00 0.00 -1.21 0.00 0.00 61.69 61.42 2jr1 s THR 42 Cb -0.15 -4.29 0.07 0.00 -1.51 0.00 0.00 72.50 66.61 2jr1 s THR 42 CO -0.01 -0.55 0.01 0.86 -2.21 0.00 0.00 174.62 172.72 2jr1 s TRP 43 N 3.32 3.36 -0.48 9.09 -0.11 -0.66 -5.00 118.94 128.46 2jr1 s TRP 43 Ca 0.34 -2.15 -0.13 0.00 1.22 0.00 0.00 56.10 55.38 2jr1 s TRP 43 Cb -0.12 -2.32 0.10 0.00 -1.50 0.00 0.00 33.47 29.63 2jr1 s TRP 43 CO 0.19 -0.86 0.38 0.45 -4.62 0.00 0.00 176.95 172.49 2jr1 s SER 44 N 1.27 5.93 0.00 5.86 0.15 -1.26 -1.92 113.70 123.73 2jr1 s SER 44 Ca -0.02 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2jr1 s SER 44 Cb -0.20 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2jr1 s SER 44 CO -0.03 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2jr1 n GLY 45 N 5.07 -0.38 3.75 9.45 0.00 -0.79 -4.92 105.19 117.36 2jr1 n GLY 45 Ca -0.11 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 4.79 -1.05 1.61 3.00 -1.26 -3.34 118.95 122.70 2jr1 s ARG 46 Ca 0.00 1.53 -0.23 0.00 -1.00 0.00 0.00 55.73 56.03 2jr1 s ARG 46 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 31.66 2jr1 s ARG 46 CO 0.00 0.40 1.72 0.20 0.00 0.00 0.00 175.30 177.62 2jr1 s GLY 47 N -0.84 0.82 -0.46 8.12 0.00 -1.26 -4.79 107.32 108.92 2jr1 s GLY 47 Ca 0.43 -2.12 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 2jr1 s GLY 47 CO 0.33 3.07 0.87 1.25 0.00 0.00 0.00 173.10 178.62 2jr1 s LYS 48 N 5.71 3.48 -0.23 2.90 2.36 -1.26 -5.04 119.74 127.67 2jr1 s LYS 48 Ca 0.58 0.05 -0.00 0.00 -2.55 0.00 0.00 55.97 54.05 2jr1 s LYS 48 Cb -0.02 -3.93 0.03 0.00 -1.05 0.00 0.00 37.83 32.86 2jr1 s LYS 48 CO -0.01 -1.18 -0.12 0.42 1.55 0.00 0.00 175.35 176.01 2jr1 s ILE 49 N 3.57 2.50 -0.10 5.43 1.09 -1.26 -4.71 121.20 127.71 2jr1 s ILE 49 Ca 0.34 -1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 58.81 2jr1 s ILE 49 Cb -0.11 -2.23 0.08 0.00 -1.06 0.00 0.00 42.46 39.14 2jr1 s ILE 49 CO 0.25 0.29 1.85 -0.81 -0.10 0.00 0.00 174.94 176.41 2jr1 n PRO 50 N 4.62 1.26 0.01 2.79 -0.04 -1.26 -4.52 135.00 137.86 2jr1 n PRO 50 Ca -0.18 -0.52 -0.13 0.00 -0.04 0.00 0.00 63.50 62.64 2jr1 n PRO 50 Cb 0.47 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.97 -0.04 0.00 0.54 1.79 -1.98 -0.31 116.57 117.55 2jr1 h LYS 51 Ca 0.10 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2jr1 h LYS 51 Cb 1.03 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2jr1 h LYS 51 CO 0.24 0.37 -0.08 -1.00 -1.08 0.00 0.00 179.45 177.90 2jr1 h PRO 52 N -0.47 0.00 0.34 3.15 0.13 -1.98 -1.45 132.00 131.73 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 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2jr1 h PRO 52 CO 0.01 0.08 -0.16 0.35 -0.23 0.00 0.00 178.00 178.04 2jr1 h PHE 53 N 0.00 -0.42 0.00 1.56 3.57 -1.89 -2.94 116.94 116.82 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 0.16 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2jr1 h PHE 53 CO 0.00 -0.26 -0.04 1.49 -2.23 0.00 0.00 178.31 177.26 2jr1 h GLU 54 N -0.74 0.00 -0.09 1.11 4.81 -1.08 0.10 114.58 118.69 2jr1 h GLU 54 Ca -0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2jr1 h GLU 54 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jr1 h GLU 54 CO 0.08 0.04 -0.16 0.00 -0.73 0.00 0.00 179.01 178.24 2jr1 h ALA 55 N 1.96 0.15 -0.08 2.92 0.00 -1.42 -2.52 119.26 120.27 2jr1 h ALA 55 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2jr1 h ALA 55 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jr1 h ALA 55 CO 0.01 0.05 -0.58 2.35 0.00 0.00 0.00 179.25 181.08 2jr1 h TRP 56 N -0.17 0.31 0.00 0.00 2.91 -1.30 0.69 115.95 118.38 2jr1 h TRP 56 Ca 0.01 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.91 2jr1 h TRP 56 Cb 0.72 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 2jr1 h TRP 56 CO 0.10 0.76 0.00 -0.89 -1.03 0.00 0.00 178.44 177.39 2jr1 n ILE 57 N -3.89 0.00 -0.02 2.65 2.08 0.33 -3.53 119.36 116.98 2jr1 n ILE 57 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2jr1 n ILE 57 Cb 0.60 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 -0.58 0.92 0.18 7.39 0.00 -0.51 -3.60 105.19 109.00 2jr1 n GLY 58 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.02 0.86 0.00 2.61 2.02 -0.96 -3.35 112.91 114.11 2jr1 h THR 59 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2jr1 h THR 59 Cb 0.01 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2jr1 h THR 59 CO 0.00 0.06 -0.81 0.00 0.37 0.00 0.00 175.52 175.13 2jr1 n ALA 60 N -2.38 1.93 0.28 6.16 0.00 -1.26 -4.90 120.51 120.34 2jr1 n ALA 60 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2jr1 n ALA 60 Cb 0.16 0.33 0.87 0.00 0.00 0.00 0.00 19.45 20.81 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 1.63 -0.92 0.00 0.00 -1.77 -3.22 119.26 114.97 2jr1 h ALA 61 Ca 0.00 -0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.17 2jr1 h ALA 61 Cb 0.81 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 2jr1 h ALA 61 CO 0.00 -0.03 0.29 -0.92 0.00 0.00 0.00 179.25 178.59 2jr1 h TYR 62 N 0.00 0.44 -0.73 0.00 3.20 -1.69 0.19 116.97 118.37 2jr1 h TYR 62 Ca 0.01 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2jr1 h TYR 62 Cb 0.05 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2jr1 h TYR 62 CO 0.00 -0.24 0.48 0.00 -1.64 0.00 0.00 178.16 176.75 2jr1 h THR 63 N 0.19 1.19 -0.10 1.81 1.03 -1.89 -0.16 112.91 114.99 2jr1 h THR 63 Ca 0.61 -0.35 -0.21 0.00 -0.01 0.00 0.00 66.41 66.44 2jr1 h THR 63 Cb 1.29 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2jr1 h THR 63 CO -0.68 0.18 -0.79 0.00 -0.01 0.00 0.00 175.52 174.22 2jr1 h ALA 64 N 1.26 0.43 -0.52 0.00 0.00 -1.67 -3.18 119.26 115.59 2jr1 h ALA 64 Ca 0.27 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2jr1 h ALA 64 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2jr1 h ALA 64 CO -0.06 0.73 0.32 2.35 0.00 0.00 0.00 179.25 182.59 2jr1 h TRP 65 N 0.39 0.59 -0.51 0.00 7.01 -0.87 -2.28 115.95 120.27 2jr1 h TRP 65 Ca -0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2jr1 h TRP 65 Cb 1.40 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 2jr1 h TRP 65 CO 0.07 0.34 0.24 0.87 -2.79 0.00 0.00 178.44 177.16 2jr1 h LYS 66 N 0.63 0.71 -0.83 2.65 1.79 -1.13 0.02 116.57 120.41 2jr1 h LYS 66 Ca 0.21 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2jr1 h LYS 66 Cb 0.02 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 2jr1 h LYS 66 CO -0.09 0.56 0.41 0.00 -1.08 0.00 0.00 179.45 179.25 2jr1 h ALA 67 N 1.55 1.07 0.02 3.86 0.00 -1.51 -3.37 119.26 120.88 2jr1 h ALA 67 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2jr1 h ALA 67 Cb 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2jr1 h ALA 67 CO -0.02 0.61 -0.43 0.87 0.00 0.00 0.00 179.25 180.28 2jr1 h LYS 68 N 1.17 0.25 -5.73 0.00 1.57 -1.00 -3.47 116.57 109.36 2jr1 h LYS 68 Ca 0.29 -0.30 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 2jr1 h LYS 68 Cb 0.09 0.09 -0.25 0.00 0.08 0.00 0.00 32.23 32.24 2jr1 h LYS 68 CO -0.04 1.04 -0.82 -1.01 -0.57 0.00 0.00 179.45 178.05 2jr1 s HIS 69 N -2.95 1.54 0.00 -1.35 3.76 -0.04 -5.11 115.29 111.14 2jr1 s HIS 69 Ca -0.15 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2jr1 s HIS 69 Cb 0.01 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.79 2jr1 s HIS 69 CO 0.78 0.07 0.24 -0.35 -0.85 0.00 0.00 174.74 174.62 2jr1 n PRO 70 N 1.89 0.00 -3.50 8.40 -0.04 -1.26 -4.06 135.00 136.43 2jr1 n PRO 70 Ca -0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 2jr1 n PRO 70 Cb 0.54 -0.73 -0.09 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.48 2.11 -0.07 3.54 2.03 -1.26 -4.76 116.55 117.65 2jr1 n ASP 71 Ca 0.00 -3.05 -0.21 0.00 0.52 0.00 0.00 54.79 52.05 2jr1 n ASP 71 Cb 0.00 -0.67 -0.12 0.00 -0.72 0.00 0.00 41.12 39.61 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 4.71 0.07 -6.89 -0.67 4.81 -1.92 -3.44 114.58 111.25 2jr1 h GLU 72 Ca 0.17 -0.12 -0.47 0.00 -0.13 0.00 0.00 59.36 58.81 2jr1 h GLU 72 Cb 0.77 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2jr1 h GLU 72 CO 0.65 1.06 0.36 0.21 -0.73 0.00 0.00 179.01 180.55 2jr1 s LYS 73 N -2.39 4.54 0.14 1.92 2.36 -1.26 -4.22 119.74 120.83 2jr1 s LYS 73 Ca -0.26 1.36 -0.31 0.00 -2.55 0.00 0.00 55.97 54.21 2jr1 s LYS 73 Cb 0.05 -2.78 -0.08 0.00 -1.05 0.00 0.00 37.83 33.97 2jr1 s LYS 73 CO 0.65 0.23 1.34 0.12 1.55 0.00 0.00 175.35 179.24 2jr1 s PHE 74 N -1.62 3.27 -1.18 4.03 5.36 -1.26 -4.93 117.98 121.66 2jr1 s PHE 74 Ca 0.51 1.08 -0.21 0.00 -0.96 0.00 0.00 56.93 57.35 2jr1 s PHE 74 Cb -0.19 -3.63 -0.05 0.00 -0.34 0.00 0.00 43.02 38.81 2jr1 s PHE 74 CO 0.24 -2.09 1.90 -0.35 -1.46 0.00 0.00 175.22 173.46 2jr1 n PRO 75 N 3.49 2.10 -3.38 10.12 -0.04 -1.26 -4.94 135.00 141.09 2jr1 n PRO 75 Ca 0.09 -2.62 -0.38 0.00 -0.04 0.00 0.00 63.50 60.56 2jr1 n PRO 75 Cb 0.43 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 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 7.94 3.52 0.25 0.55 0.00 -1.26 -5.11 121.76 127.65 2jr1 s ALA 76 Ca 0.62 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.40 2jr1 s ALA 76 Cb 0.03 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2jr1 s ALA 76 CO 0.11 0.06 0.15 -0.59 0.00 0.00 0.00 175.76 175.49 2jr1 s PHE 77 N 0.44 3.03 -0.43 0.00 -0.71 -1.26 -4.30 117.98 114.75 2jr1 s PHE 77 Ca 0.24 -0.13 -0.29 0.00 -1.04 0.00 0.00 56.93 55.71 2jr1 s PHE 77 Cb -0.15 -1.37 0.01 0.00 -1.21 0.00 0.00 43.02 40.31 2jr1 s PHE 77 CO 0.09 0.54 1.35 -1.25 -1.34 0.00 0.00 175.22 174.61 2jr1 s PRO 78 N -3.74 3.61 0.00 1.99 0.04 -1.26 -4.74 135.00 130.89 2jr1 s PRO 78 Ca 0.32 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2jr1 s PRO 78 Cb -0.08 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2jr1 s PRO 78 CO 0.24 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.16