#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 0.88 -2.65 4.37 -1.24 -2.08 -3.44 115.58 111.42 2jr1 h ASN 2 Ca 0.00 -0.24 -0.58 0.00 0.71 0.00 0.00 56.30 56.19 2jr1 h ASN 2 Cb 0.00 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2jr1 h ASN 2 CO 0.00 0.96 1.26 0.54 -1.29 0.00 0.00 177.43 178.91 2jr1 s VAL 3 N -4.94 3.48 -0.19 2.57 0.11 -1.26 -4.97 120.40 115.20 2jr1 s VAL 3 Ca -0.10 0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 59.36 2jr1 s VAL 3 Cb 0.14 -3.61 0.08 0.00 -1.53 0.00 0.00 36.38 31.46 2jr1 s VAL 3 CO 0.83 -0.37 0.42 -0.75 -3.33 0.00 0.00 175.10 171.91 2jr1 s LYS 4 N 5.53 0.36 1.05 1.54 2.20 -1.26 -5.14 119.74 124.01 2jr1 s LYS 4 Ca 0.80 0.95 -0.12 0.00 -0.36 0.00 0.00 55.97 57.24 2jr1 s LYS 4 Cb -0.24 0.20 0.22 0.00 -1.51 0.00 0.00 37.83 36.50 2jr1 s LYS 4 CO 0.33 -0.22 1.07 -0.65 -0.36 0.00 0.00 175.35 175.53 2jr1 s GLN 5 N 2.15 -0.01 0.36 4.03 1.11 -1.26 -4.97 119.66 121.07 2jr1 s GLN 5 Ca -0.05 0.75 -0.19 0.00 0.01 0.00 0.00 55.36 55.89 2jr1 s GLN 5 Cb -0.11 -1.67 -0.10 0.00 -1.01 0.00 0.00 33.01 30.13 2jr1 s GLN 5 CO -0.13 -3.09 0.84 0.15 0.01 0.00 0.00 175.29 173.07 2jr1 s LYS 6 N -4.73 4.17 -0.13 2.91 -0.14 -1.26 -5.06 119.74 115.49 2jr1 s LYS 6 Ca 0.66 0.93 0.01 0.00 -1.36 0.00 0.00 55.97 56.21 2jr1 s LYS 6 Cb -0.21 -2.40 0.02 0.00 -1.68 0.00 0.00 37.83 33.56 2jr1 s LYS 6 CO 0.60 0.11 -0.15 -1.54 -0.76 0.00 0.00 175.35 173.62 2jr1 s SER 7 N -2.12 2.59 -0.41 2.83 1.04 -1.26 -4.99 113.70 111.38 2jr1 s SER 7 Ca 0.56 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.56 2jr1 s SER 7 Cb -0.11 -1.15 0.11 0.00 0.10 0.00 0.00 66.02 64.98 2jr1 s SER 7 CO 0.16 -0.02 0.14 -1.61 0.98 0.00 0.00 173.24 172.90 2jr1 s GLU 8 N 1.23 1.60 -0.01 4.02 2.02 -1.25 -2.68 118.70 123.64 2jr1 s GLU 8 Ca -0.01 -2.11 0.03 0.00 0.02 0.00 0.00 54.97 52.90 2jr1 s GLU 8 Cb -0.14 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 2jr1 s GLU 8 CO -0.06 -1.02 -0.09 0.42 0.02 0.00 0.00 175.26 174.53 2jr1 s ILE 9 N 0.47 3.45 1.02 -1.63 1.01 -0.39 -4.99 121.20 120.14 2jr1 s ILE 9 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2jr1 s ILE 9 Cb -0.22 -2.46 0.20 0.00 0.01 0.00 0.00 42.46 40.00 2jr1 s ILE 9 CO -0.06 0.45 1.08 0.28 0.00 0.00 0.00 174.94 176.69 2jr1 s THR 10 N -0.92 2.06 -0.11 2.92 -1.32 -1.26 -2.89 115.64 114.13 2jr1 s THR 10 Ca 0.15 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 2jr1 s THR 10 Cb -0.11 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 2jr1 s THR 10 CO 0.05 -0.03 1.30 0.00 -2.21 0.00 0.00 174.62 173.73 2jr1 s ALA 11 N -2.90 3.61 -0.04 11.08 0.00 -1.11 -4.73 121.76 127.67 2jr1 s ALA 11 Ca 0.66 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 2jr1 s ALA 11 Cb -0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2jr1 s ALA 11 CO 0.59 -1.06 0.22 -0.51 0.00 0.00 0.00 175.76 175.00 2jr1 s LEU 12 N 3.10 4.39 0.25 0.00 2.01 -1.26 -4.90 118.68 122.26 2jr1 s LEU 12 Ca 0.58 0.53 -0.30 0.00 0.01 0.00 0.00 54.13 54.95 2jr1 s LEU 12 Cb -0.25 -2.44 -0.10 0.00 0.01 0.00 0.00 46.19 43.42 2jr1 s LEU 12 CO 0.19 0.32 1.43 0.68 1.01 0.00 0.00 176.35 179.98 2jr1 s VAL 13 N -1.18 2.68 0.45 -1.59 -7.23 -1.26 -4.53 120.40 107.74 2jr1 s VAL 13 Ca 0.23 0.57 -0.23 0.00 -1.81 0.00 0.00 61.98 60.74 2jr1 s VAL 13 Cb -0.13 -3.37 -0.08 0.00 0.56 0.00 0.00 36.38 33.36 2jr1 s VAL 13 CO 0.12 0.09 1.10 -0.75 -0.31 0.00 0.00 175.10 175.35 2jr1 s LYS 14 N -0.36 3.87 -0.34 4.82 2.47 -0.88 -4.94 119.74 124.38 2jr1 s LYS 14 Ca 0.59 1.60 -0.27 0.00 -1.56 0.00 0.00 55.97 56.34 2jr1 s LYS 14 Cb -0.42 -2.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.60 2jr1 s LYS 14 CO 0.43 -0.41 0.97 -1.21 0.16 0.00 0.00 175.35 175.28 2jr1 s GLU 15 N -2.76 3.95 -0.13 4.03 8.01 -1.26 -4.49 118.70 126.05 2jr1 s GLU 15 Ca 0.63 0.78 -0.10 0.00 0.01 0.00 0.00 54.97 56.29 2jr1 s GLU 15 Cb -0.24 -3.76 0.04 0.00 -4.31 0.00 0.00 34.13 25.85 2jr1 s GLU 15 CO 0.29 -0.89 0.33 0.08 0.01 0.00 0.00 175.26 175.08 2jr1 s VAL 16 N 3.47 -0.01 0.13 2.63 1.01 -1.26 -5.12 120.40 121.25 2jr1 s VAL 16 Ca 0.40 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 2jr1 s VAL 16 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2jr1 s VAL 16 CO 0.16 0.01 1.67 0.74 0.00 0.00 0.00 175.10 177.69 2jr1 h THR 17 N 4.91 0.63 -4.32 3.92 2.02 -1.95 -3.43 112.91 114.69 2jr1 h THR 17 Ca -0.30 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.39 2jr1 h THR 17 Cb 1.18 0.63 0.10 0.00 -1.74 0.00 0.00 68.15 68.33 2jr1 h THR 17 CO 0.31 0.00 0.35 -2.16 0.37 0.00 0.00 175.52 174.39 2jr1 s PRO 18 N -6.15 2.36 -0.91 6.66 0.04 -1.26 -4.95 135.00 130.80 2jr1 s PRO 18 Ca -0.14 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 2jr1 s PRO 18 Cb 0.10 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 2jr1 s PRO 18 CO 0.67 -1.44 1.93 -0.35 0.04 0.00 0.00 177.00 177.85 2jr1 n PRO 19 N -3.32 1.58 -3.65 0.56 -0.04 -1.26 -4.83 135.00 124.04 2jr1 n PRO 19 Ca 0.07 -2.06 -0.24 0.00 -0.04 0.00 0.00 63.50 61.23 2jr1 n PRO 19 Cb 0.56 -3.17 -0.17 0.00 -0.04 0.00 0.00 33.50 30.67 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 5.39 0.07 -0.44 0.54 3.52 -1.26 -5.12 118.95 121.64 2jr1 s ARG 20 Ca 0.60 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 2jr1 s ARG 20 Cb 0.10 -1.30 0.12 0.00 -1.56 0.00 0.00 34.95 32.30 2jr1 s ARG 20 CO 0.12 -0.52 0.18 0.15 -0.81 0.00 0.00 175.30 174.42 2jr1 s LYS 21 N 2.13 1.83 0.31 5.12 -0.14 -1.26 -4.61 119.74 123.11 2jr1 s LYS 21 Ca 0.03 -2.22 -0.28 0.00 -1.36 0.00 0.00 55.97 52.14 2jr1 s LYS 21 Cb -0.14 -3.35 -0.09 0.00 -1.68 0.00 0.00 37.83 32.57 2jr1 s LYS 21 CO -0.06 -1.04 1.09 0.00 -0.76 0.00 0.00 175.35 174.58 2jr1 s ALA 22 N 0.39 3.32 -1.18 5.17 0.00 -1.26 -4.78 121.76 123.42 2jr1 s ALA 22 Ca 0.13 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 2jr1 s ALA 22 Cb -0.22 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2jr1 s ALA 22 CO -0.04 -0.19 1.71 -1.25 0.00 0.00 0.00 175.76 175.98 2jr1 s PRO 23 N -1.71 3.56 0.31 0.00 0.04 -1.26 -2.08 135.00 133.85 2jr1 s PRO 23 Ca 0.48 -1.52 -0.28 0.00 0.04 0.00 0.00 61.00 59.73 2jr1 s PRO 23 Cb -0.30 -5.41 -0.09 0.00 0.04 0.00 0.00 34.50 28.74 2jr1 s PRO 23 CO 0.38 -2.58 1.01 0.45 0.04 0.00 0.00 177.00 176.30 2jr1 s SER 24 N 5.04 7.26 -0.87 6.66 0.15 -1.26 -5.00 113.70 125.67 2jr1 s SER 24 Ca 0.55 2.04 -0.24 0.00 0.70 0.00 0.00 55.95 59.01 2jr1 s SER 24 Cb 0.01 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2jr1 s SER 24 CO 0.03 -0.13 1.29 -0.54 1.20 0.00 0.00 173.24 175.09 2jr1 s LYS 25 N -1.76 3.39 -0.25 5.44 3.01 -1.25 -4.60 119.74 123.73 2jr1 s LYS 25 Ca 0.48 -0.86 -0.08 0.00 -1.01 0.00 0.00 55.97 54.50 2jr1 s LYS 25 Cb -0.25 -4.76 -0.03 0.00 -1.01 0.00 0.00 37.83 31.77 2jr1 s LYS 25 CO 0.32 -2.09 0.09 0.00 0.51 0.00 0.00 175.35 174.18 2jr1 s ALA 26 N 4.85 3.26 -0.11 5.17 0.00 -1.26 -1.95 121.76 131.71 2jr1 s ALA 26 Ca 0.38 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 2jr1 s ALA 26 Cb -0.05 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.97 2jr1 s ALA 26 CO 0.01 -0.43 0.02 0.15 0.00 0.00 0.00 175.76 175.52 2jr1 s LYS 27 N 1.51 0.52 -0.61 0.00 3.01 -0.68 -2.75 119.74 120.74 2jr1 s LYS 27 Ca 0.06 -0.04 -0.05 0.00 -1.01 0.00 0.00 55.97 54.93 2jr1 s LYS 27 Cb -0.15 -1.35 0.16 0.00 -1.01 0.00 0.00 37.83 35.48 2jr1 s LYS 27 CO 0.05 -0.44 0.45 1.03 0.51 0.00 0.00 175.35 176.95 2jr1 s ARG 28 N 1.97 2.62 -0.06 1.68 0.52 -1.14 -2.15 118.95 122.38 2jr1 s ARG 28 Ca 0.03 -2.39 0.03 0.00 -0.52 0.00 0.00 55.73 52.88 2jr1 s ARG 28 Cb -0.14 -3.81 0.01 0.00 0.52 0.00 0.00 34.95 31.53 2jr1 s ARG 28 CO -0.06 -1.18 -0.15 -1.21 0.02 0.00 0.00 175.30 172.72 2jr1 s GLU 29 N 0.19 1.88 -0.19 3.54 8.01 -1.23 -1.27 118.70 129.64 2jr1 s GLU 29 Ca 0.15 -0.54 -0.21 0.00 0.01 0.00 0.00 54.97 54.38 2jr1 s GLU 29 Cb -0.20 -1.56 -0.02 0.00 -4.31 0.00 0.00 34.13 28.04 2jr1 s GLU 29 CO -0.04 0.12 0.65 0.00 0.01 0.00 0.00 175.26 176.01 2jr1 s ALA 30 N 0.39 3.54 0.00 5.21 0.00 -1.09 -3.19 121.76 126.61 2jr1 s ALA 30 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2jr1 s ALA 30 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2jr1 s ALA 30 CO 0.04 -0.55 0.00 -0.35 0.00 0.00 0.00 175.76 174.90 2jr1 n PRO 31 N 5.03 0.00 -4.55 0.00 -0.04 -1.26 -4.76 135.00 129.42 2jr1 n PRO 31 Ca -0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2jr1 n PRO 31 Cb 0.50 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 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 1.88 3.67 0.26 0.52 -4.36 -1.26 -4.70 121.20 117.22 2jr1 s ILE 32 Ca 0.00 -0.46 0.07 0.00 -0.26 0.00 0.00 60.65 60.00 2jr1 s ILE 32 Cb 0.00 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 2jr1 s ILE 32 CO 0.00 0.54 1.60 0.50 0.24 0.00 0.00 174.94 177.82 2jr1 h LYS 33 N 6.15 0.16 -0.54 0.37 1.63 -1.95 -2.28 116.57 120.11 2jr1 h LYS 33 Ca -0.37 -0.11 0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2jr1 h LYS 33 Cb 1.19 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 2jr1 h LYS 33 CO 0.58 0.69 0.36 -0.92 -3.45 0.00 0.00 179.45 176.71 2jr1 h TYR 34 N 0.12 0.64 0.00 1.91 3.20 -1.98 -3.29 116.97 117.57 2jr1 h TYR 34 Ca -0.00 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.61 2jr1 h TYR 34 Cb 1.06 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 2jr1 h TYR 34 CO 0.01 0.38 -1.47 1.87 -1.64 0.00 0.00 178.16 177.31 2jr1 n TRP 35 N -4.46 0.86 -3.95 -3.82 -0.00 -1.25 -4.97 117.44 99.85 2jr1 n TRP 35 Ca 0.06 0.37 -0.35 0.00 -0.00 0.00 0.00 57.50 57.57 2jr1 n TRP 35 Cb 0.10 -1.09 -0.13 0.00 -0.00 0.00 0.00 31.31 30.19 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 -7.81 3.19 0.51 5.87 1.43 -0.86 -5.04 118.68 115.97 2jr1 s LEU 36 Ca -0.30 -0.26 0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2jr1 s LEU 36 Cb 0.07 -1.82 1.35 0.00 0.03 0.00 0.00 46.19 45.82 2jr1 s LEU 36 CO 0.58 0.01 2.04 1.55 0.23 0.00 0.00 176.35 180.76 2jr1 h PRO 37 N 7.87 0.00 -4.53 1.29 0.13 -1.85 -3.33 132.00 131.58 2jr1 h PRO 37 Ca -0.38 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.05 2jr1 h PRO 37 Cb 1.17 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.99 2jr1 h PRO 37 CO 0.60 0.14 -0.54 -1.58 -0.23 0.00 0.00 178.00 176.39 2jr1 s HIS 38 N -4.21 3.40 -0.55 1.56 5.65 -1.26 -4.99 115.29 114.89 2jr1 s HIS 38 Ca -0.03 -1.88 -0.28 0.00 0.25 0.00 0.00 55.06 53.12 2jr1 s HIS 38 Cb 0.13 -2.87 0.03 0.00 -1.18 0.00 0.00 32.58 28.69 2jr1 s HIS 38 CO 0.60 -0.88 1.22 -1.54 -0.65 0.00 0.00 174.74 173.49 2jr1 s SER 39 N 1.85 6.45 0.00 9.88 1.04 -1.25 -4.67 113.70 126.99 2jr1 s SER 39 Ca 0.03 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2jr1 s SER 39 Cb -0.22 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2jr1 s SER 39 CO -0.01 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.36 2jr1 n GLY 40 N 5.04 0.25 3.43 7.32 0.00 -1.25 -4.60 105.19 115.39 2jr1 n GLY 40 Ca 0.10 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.66 -0.55 4.61 0.00 -1.19 -4.87 121.76 122.42 2jr1 s ALA 41 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 2jr1 s ALA 41 Cb 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 23.12 22.06 2jr1 s ALA 41 CO 0.00 0.39 0.85 -0.08 0.00 0.00 0.00 175.76 176.92 2jr1 s THR 42 N -0.16 4.53 -0.43 0.00 -1.32 -1.26 -3.49 115.64 113.50 2jr1 s THR 42 Ca -0.00 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2jr1 s THR 42 Cb -0.13 -4.48 0.07 0.00 -1.51 0.00 0.00 72.50 66.45 2jr1 s THR 42 CO 0.03 -1.06 0.30 0.86 -2.21 0.00 0.00 174.62 172.54 2jr1 s TRP 43 N 3.56 3.30 -0.68 9.09 -0.11 -0.91 -4.97 118.94 128.22 2jr1 s TRP 43 Ca 0.25 -1.29 -0.11 0.00 1.22 0.00 0.00 56.10 56.18 2jr1 s TRP 43 Cb -0.15 -2.98 0.18 0.00 -1.50 0.00 0.00 33.47 29.01 2jr1 s TRP 43 CO 0.16 -0.81 0.57 0.45 -4.62 0.00 0.00 176.95 172.70 2jr1 s SER 44 N 2.23 6.12 0.00 5.86 0.15 -1.26 -1.69 113.70 125.11 2jr1 s SER 44 Ca 0.03 -2.47 0.00 0.00 0.70 0.00 0.00 55.95 54.21 2jr1 s SER 44 Cb -0.23 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2jr1 s SER 44 CO 0.04 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2jr1 n GLY 45 N 4.19 -1.58 3.78 9.45 0.00 -0.82 -4.90 105.19 115.31 2jr1 n GLY 45 Ca 0.05 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 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 4.47 -1.18 1.61 3.00 -1.26 -3.79 118.95 121.81 2jr1 s ARG 46 Ca 0.00 1.47 -0.22 0.00 -1.00 0.00 0.00 55.73 55.98 2jr1 s ARG 46 Cb 0.00 -2.81 -0.06 0.00 0.00 0.00 0.00 34.95 32.08 2jr1 s ARG 46 CO 0.00 0.14 1.90 0.20 0.00 0.00 0.00 175.30 177.55 2jr1 s GLY 47 N -1.45 0.37 -0.63 8.12 0.00 -1.26 -4.83 107.32 107.63 2jr1 s GLY 47 Ca 0.51 -2.21 -0.25 0.00 0.00 0.00 0.00 44.72 42.77 2jr1 s GLY 47 CO 0.28 3.43 1.07 1.25 0.00 0.00 0.00 173.10 179.14 2jr1 s LYS 48 N 6.20 3.26 -0.31 2.90 2.36 -1.26 -5.01 119.74 127.87 2jr1 s LYS 48 Ca 0.66 -0.34 -0.03 0.00 -2.55 0.00 0.00 55.97 53.71 2jr1 s LYS 48 Cb -0.01 -4.13 0.05 0.00 -1.05 0.00 0.00 37.83 32.70 2jr1 s LYS 48 CO 0.11 -1.78 0.03 0.42 1.55 0.00 0.00 175.35 175.69 2jr1 s ILE 49 N 4.58 3.14 -0.09 5.43 1.09 -1.26 -4.71 121.20 129.39 2jr1 s ILE 49 Ca 0.31 -1.39 -0.00 0.00 -1.10 0.00 0.00 60.65 58.47 2jr1 s ILE 49 Cb -0.12 -2.83 0.07 0.00 -1.06 0.00 0.00 42.46 38.53 2jr1 s ILE 49 CO 0.16 -0.16 1.79 -0.81 -0.10 0.00 0.00 174.94 175.83 2jr1 n PRO 50 N 4.65 1.23 0.18 2.79 -0.04 -1.26 -4.40 135.00 138.15 2jr1 n PRO 50 Ca -0.12 -0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 62.73 2jr1 n PRO 50 Cb 0.43 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.90 -0.46 -0.06 0.54 6.56 -1.97 -0.61 116.57 121.47 2jr1 h LYS 51 Ca 0.09 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.73 2jr1 h LYS 51 Cb 1.05 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.81 2jr1 h LYS 51 CO 0.22 -0.14 0.07 -1.00 -2.06 0.00 0.00 179.45 176.54 2jr1 h PRO 52 N -0.84 0.00 0.22 3.15 0.13 -1.98 0.44 132.00 133.12 2jr1 h PRO 52 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2jr1 h PRO 52 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2jr1 h PRO 52 CO 0.08 0.00 -0.11 0.35 -0.23 0.00 0.00 178.00 178.09 2jr1 h PHE 53 N 0.00 -0.27 0.00 1.56 3.57 -1.88 -3.22 116.94 116.69 2jr1 h PHE 53 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2jr1 h PHE 53 Cb 0.18 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2jr1 h PHE 53 CO 0.00 -0.17 -0.06 1.49 -2.23 0.00 0.00 178.31 177.34 2jr1 h GLU 54 N -0.69 0.00 0.12 1.11 4.81 -0.96 0.48 114.58 119.45 2jr1 h GLU 54 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2jr1 h GLU 54 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2jr1 h GLU 54 CO 0.05 0.06 -0.06 0.00 -0.73 0.00 0.00 179.01 178.34 2jr1 h ALA 55 N 1.94 -0.16 -0.12 2.92 0.00 -1.10 -2.54 119.26 120.21 2jr1 h ALA 55 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2jr1 h ALA 55 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jr1 h ALA 55 CO 0.01 -0.47 -0.48 2.35 0.00 0.00 0.00 179.25 180.66 2jr1 h TRP 56 N -0.40 0.36 0.00 0.00 2.91 -1.49 -0.43 115.95 116.90 2jr1 h TRP 56 Ca -0.02 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.89 2jr1 h TRP 56 Cb 0.33 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 2jr1 h TRP 56 CO 0.01 0.73 0.00 -0.89 -1.03 0.00 0.00 178.44 177.25 2jr1 n ILE 57 N -3.97 0.81 0.03 2.65 2.08 0.13 -3.35 119.36 117.74 2jr1 n ILE 57 Ca -0.02 0.20 0.01 0.00 0.56 0.00 0.00 62.75 63.50 2jr1 n ILE 57 Cb 0.54 -1.15 -0.01 0.00 -0.75 0.00 0.00 39.64 38.27 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 -0.97 0.47 0.19 7.39 0.00 -0.71 -3.61 105.19 107.96 2jr1 n GLY 58 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 0.61 0.00 2.61 2.02 -1.11 -3.29 112.91 113.75 2jr1 h THR 59 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2jr1 h THR 59 Cb 0.04 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2jr1 h THR 59 CO 0.00 0.01 -0.82 0.00 0.37 0.00 0.00 175.52 175.09 2jr1 n ALA 60 N -2.67 1.82 0.26 6.16 0.00 -1.26 -4.88 120.51 119.94 2jr1 n ALA 60 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2jr1 n ALA 60 Cb 0.25 0.20 0.72 0.00 0.00 0.00 0.00 19.45 20.63 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 1.19 -0.82 0.00 0.00 -1.76 -3.32 119.26 114.54 2jr1 h ALA 61 Ca 0.00 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.01 2jr1 h ALA 61 Cb 0.82 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 2jr1 h ALA 61 CO 0.00 0.14 0.05 -0.92 0.00 0.00 0.00 179.25 178.52 2jr1 h TYR 62 N 0.00 0.02 -0.56 0.00 3.20 -1.62 0.15 116.97 118.16 2jr1 h TYR 62 Ca -0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2jr1 h TYR 62 Cb 0.39 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2jr1 h TYR 62 CO 0.00 -0.26 0.20 0.00 -1.64 0.00 0.00 178.16 176.45 2jr1 h THR 63 N 0.11 1.21 -0.10 1.81 1.03 -1.88 -0.06 112.91 115.03 2jr1 h THR 63 Ca 0.47 -0.69 -0.07 0.00 -0.01 0.00 0.00 66.41 66.10 2jr1 h THR 63 Cb 0.87 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 2jr1 h THR 63 CO -0.71 0.27 -0.22 0.00 -0.01 0.00 0.00 175.52 174.85 2jr1 h ALA 64 N 1.41 0.16 -0.63 0.00 0.00 -1.61 -3.26 119.26 115.33 2jr1 h ALA 64 Ca 0.19 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jr1 h ALA 64 Cb 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2jr1 h ALA 64 CO -0.01 0.12 0.32 2.35 0.00 0.00 0.00 179.25 182.03 2jr1 h TRP 65 N -0.13 0.58 0.00 0.00 7.01 -0.62 -2.02 115.95 120.77 2jr1 h TRP 65 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2jr1 h TRP 65 Cb 0.82 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 2jr1 h TRP 65 CO 0.11 0.25 -0.04 0.87 -2.79 0.00 0.00 178.44 176.84 2jr1 h LYS 66 N 0.58 0.00 0.10 2.65 1.79 -1.15 -0.52 116.57 120.03 2jr1 h LYS 66 Ca 0.29 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.48 2jr1 h LYS 66 Cb 0.23 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2jr1 h LYS 66 CO -0.21 0.04 -1.19 0.00 -1.08 0.00 0.00 179.45 177.01 2jr1 h ALA 67 N 1.96 0.08 -0.24 3.86 0.00 -1.48 -3.39 119.26 120.05 2jr1 h ALA 67 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 2jr1 h ALA 67 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jr1 h ALA 67 CO 0.01 0.77 -0.03 0.87 0.00 0.00 0.00 179.25 180.86 2jr1 h LYS 68 N 0.23 0.44 -4.90 0.00 6.56 -0.98 -3.47 116.57 114.46 2jr1 h LYS 68 Ca -0.16 -0.16 -0.32 0.00 -1.06 0.00 0.00 60.65 58.95 2jr1 h LYS 68 Cb 1.87 -0.03 -0.20 0.00 -0.57 0.00 0.00 32.23 33.30 2jr1 h LYS 68 CO 0.22 0.65 -0.74 -1.01 -2.06 0.00 0.00 179.45 176.51 2jr1 s HIS 69 N -4.84 0.95 0.00 -1.35 3.76 -0.24 -5.11 115.29 108.45 2jr1 s HIS 69 Ca -0.14 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2jr1 s HIS 69 Cb 0.07 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.22 2jr1 s HIS 69 CO 0.75 -0.02 0.28 -0.35 -0.85 0.00 0.00 174.74 174.55 2jr1 n PRO 70 N 1.05 0.00 -3.11 8.40 -0.04 -1.26 -4.08 135.00 135.95 2jr1 n PRO 70 Ca -0.20 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.06 2jr1 n PRO 70 Cb 0.56 -0.76 -0.03 0.00 -0.04 0.00 0.00 33.50 33.22 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 -0.46 1.95 -0.05 3.54 2.03 -1.26 -4.75 116.55 117.55 2jr1 n ASP 71 Ca 0.00 -3.22 -0.17 0.00 0.52 0.00 0.00 54.79 51.93 2jr1 n ASP 71 Cb 0.00 -0.60 -0.13 0.00 -0.72 0.00 0.00 41.12 39.67 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 2.99 0.07 -6.89 -0.67 4.81 -1.93 -3.46 114.58 109.49 2jr1 h GLU 72 Ca 0.11 -0.12 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 2jr1 h GLU 72 Cb 0.83 0.04 0.04 0.00 0.63 0.00 0.00 28.75 30.29 2jr1 h GLU 72 CO 0.60 1.06 0.50 0.21 -0.73 0.00 0.00 179.01 180.65 2jr1 s LYS 73 N -2.30 4.29 0.14 1.92 2.36 -1.26 -4.23 119.74 120.67 2jr1 s LYS 73 Ca -0.20 1.84 -0.30 0.00 -2.55 0.00 0.00 55.97 54.76 2jr1 s LYS 73 Cb -0.00 -2.87 -0.07 0.00 -1.05 0.00 0.00 37.83 33.83 2jr1 s LYS 73 CO 0.70 -0.12 1.19 0.12 1.55 0.00 0.00 175.35 178.80 2jr1 s PHE 74 N -1.33 3.45 -1.14 4.03 5.36 -1.26 -4.94 117.98 122.15 2jr1 s PHE 74 Ca 0.52 1.39 -0.19 0.00 -0.96 0.00 0.00 56.93 57.69 2jr1 s PHE 74 Cb -0.31 -3.41 -0.05 0.00 -0.34 0.00 0.00 43.02 38.90 2jr1 s PHE 74 CO 0.40 -1.19 2.00 -0.35 -1.46 0.00 0.00 175.22 174.62 2jr1 n PRO 75 N 3.03 2.22 -3.45 10.12 -0.04 -1.26 -4.94 135.00 140.67 2jr1 n PRO 75 Ca 0.06 -2.41 -0.37 0.00 -0.04 0.00 0.00 63.50 60.74 2jr1 n PRO 75 Cb 0.45 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.23 3.59 0.26 0.55 0.00 -1.26 -5.11 121.76 125.01 2jr1 s ALA 76 Ca 0.55 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.29 2jr1 s ALA 76 Cb 0.10 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 2jr1 s ALA 76 CO 0.05 0.18 0.22 -0.59 0.00 0.00 0.00 175.76 175.62 2jr1 s PHE 77 N 0.05 3.11 -0.45 0.00 -0.71 -1.26 -4.30 117.98 114.42 2jr1 s PHE 77 Ca 0.22 -0.12 -0.28 0.00 -1.04 0.00 0.00 56.93 55.70 2jr1 s PHE 77 Cb -0.15 -1.45 0.01 0.00 -1.21 0.00 0.00 43.02 40.22 2jr1 s PHE 77 CO 0.09 0.49 1.45 -1.25 -1.34 0.00 0.00 175.22 174.66 2jr1 s PRO 78 N -3.87 3.46 0.00 1.99 0.04 -1.26 -4.75 135.00 130.61 2jr1 s PRO 78 Ca 0.34 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2jr1 s PRO 78 Cb -0.08 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2jr1 s PRO 78 CO 0.25 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.99