#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 0.69 -2.83 4.37 -1.24 -2.06 -3.41 115.58 111.09 2jr1 h ASN 2 Ca 0.00 -0.23 -0.56 0.00 0.71 0.00 0.00 56.30 56.22 2jr1 h ASN 2 Cb 0.00 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.84 2jr1 h ASN 2 CO 0.00 0.74 1.07 0.54 -1.29 0.00 0.00 177.43 178.49 2jr1 s VAL 3 N -5.31 3.83 -0.06 2.57 0.11 -1.26 -4.94 120.40 115.33 2jr1 s VAL 3 Ca -0.13 0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 59.84 2jr1 s VAL 3 Cb 0.11 -3.79 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2jr1 s VAL 3 CO 0.78 -0.28 0.14 -0.54 -3.33 0.00 0.00 175.10 171.87 2jr1 s LYS 4 N 4.38 0.09 0.99 1.54 1.02 -1.26 -5.15 119.74 121.35 2jr1 s LYS 4 Ca 0.67 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.92 2jr1 s LYS 4 Cb -0.24 -0.19 0.19 0.00 -0.52 0.00 0.00 37.83 37.07 2jr1 s LYS 4 CO 0.26 -0.17 1.09 -0.65 -0.92 0.00 0.00 175.35 174.96 2jr1 s GLN 5 N 1.20 0.43 0.18 1.68 -1.52 -1.26 -4.93 119.66 115.43 2jr1 s GLN 5 Ca -0.09 1.08 -0.30 0.00 -1.95 0.00 0.00 55.36 54.10 2jr1 s GLN 5 Cb -0.12 -1.69 -0.07 0.00 -0.22 0.00 0.00 33.01 30.91 2jr1 s GLN 5 CO -0.06 -2.88 0.99 0.15 -0.25 0.00 0.00 175.29 173.24 2jr1 s LYS 6 N -4.67 4.72 -0.28 2.91 -0.14 -1.26 -5.01 119.74 116.01 2jr1 s LYS 6 Ca 0.66 1.55 0.02 0.00 -1.36 0.00 0.00 55.97 56.84 2jr1 s LYS 6 Cb -0.22 -3.31 0.07 0.00 -1.68 0.00 0.00 37.83 32.69 2jr1 s LYS 6 CO 0.60 0.28 -0.04 -1.12 -0.76 0.00 0.00 175.35 174.31 2jr1 s SER 7 N -0.45 4.33 -0.40 2.83 0.01 -1.26 -4.98 113.70 113.78 2jr1 s SER 7 Ca 0.45 -1.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.15 2jr1 s SER 7 Cb -0.26 -1.42 0.11 0.00 0.21 0.00 0.00 66.02 64.65 2jr1 s SER 7 CO 0.32 -0.26 0.18 -1.61 0.41 0.00 0.00 173.24 172.28 2jr1 s GLU 8 N 1.17 1.96 -0.00 12.44 2.02 -1.25 -3.12 118.70 131.92 2jr1 s GLU 8 Ca -0.02 -1.81 0.02 0.00 0.02 0.00 0.00 54.97 53.18 2jr1 s GLU 8 Cb -0.19 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2jr1 s GLU 8 CO -0.07 -1.04 -0.02 0.42 0.02 0.00 0.00 175.26 174.56 2jr1 s ILE 9 N 1.12 4.01 0.99 -1.63 -1.09 -0.09 -4.99 121.20 119.52 2jr1 s ILE 9 Ca 0.08 -0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 57.74 2jr1 s ILE 9 Cb -0.22 -2.77 0.18 0.00 -1.58 0.00 0.00 42.46 38.07 2jr1 s ILE 9 CO -0.04 0.39 1.08 0.28 -1.23 0.00 0.00 174.94 175.41 2jr1 s THR 10 N -1.05 2.32 -0.05 2.92 -1.32 -1.26 -2.90 115.64 114.29 2jr1 s THR 10 Ca 0.19 0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.47 2jr1 s THR 10 Cb -0.11 -2.38 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 2jr1 s THR 10 CO 0.09 -0.13 1.30 0.00 -2.21 0.00 0.00 174.62 173.66 2jr1 s ALA 11 N -2.75 3.55 0.11 11.08 0.00 -1.16 -4.76 121.76 127.83 2jr1 s ALA 11 Ca 0.66 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.35 2jr1 s ALA 11 Cb -0.21 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2jr1 s ALA 11 CO 0.59 -0.90 0.14 -0.51 0.00 0.00 0.00 175.76 175.08 2jr1 s LEU 12 N 2.54 3.96 0.20 0.00 2.01 -1.26 -4.89 118.68 121.23 2jr1 s LEU 12 Ca 0.59 0.03 -0.32 0.00 0.01 0.00 0.00 54.13 54.44 2jr1 s LEU 12 Cb -0.27 -2.59 -0.12 0.00 0.01 0.00 0.00 46.19 43.22 2jr1 s LEU 12 CO 0.23 0.13 1.73 1.33 1.01 0.00 0.00 176.35 180.78 2jr1 n VAL 13 N 0.10 0.03 -2.72 -1.59 0.24 -1.26 -4.12 118.33 109.00 2jr1 n VAL 13 Ca -0.08 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.34 61.85 2jr1 n VAL 13 Cb 0.53 -1.98 -0.06 0.00 -1.47 0.00 0.00 33.84 30.86 2jr1 n VAL 13 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jr1 s LYS 14 N 1.29 4.46 -0.47 7.34 2.20 -0.28 -4.89 119.74 129.38 2jr1 s LYS 14 Ca 0.76 1.36 -0.25 0.00 -0.36 0.00 0.00 55.97 57.48 2jr1 s LYS 14 Cb -0.51 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2jr1 s LYS 14 CO 0.33 0.15 0.93 -1.21 -0.36 0.00 0.00 175.35 175.19 2jr1 s GLU 15 N -2.25 3.50 0.01 4.03 8.01 -1.26 -3.94 118.70 126.79 2jr1 s GLU 15 Ca 0.53 0.09 0.05 0.00 0.01 0.00 0.00 54.97 55.65 2jr1 s GLU 15 Cb -0.19 -3.95 -0.03 0.00 -4.31 0.00 0.00 34.13 25.65 2jr1 s GLU 15 CO 0.24 -1.26 -0.11 0.08 0.01 0.00 0.00 175.26 174.22 2jr1 s VAL 16 N 3.78 3.32 0.04 2.63 1.01 -1.26 -5.09 120.40 124.83 2jr1 s VAL 16 Ca 0.36 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2jr1 s VAL 16 Cb -0.10 -2.42 -0.17 0.00 0.00 0.00 0.00 36.38 33.68 2jr1 s VAL 16 CO 0.25 0.38 1.42 0.74 0.00 0.00 0.00 175.10 177.90 2jr1 h THR 17 N 3.85 0.53 -4.21 3.92 2.02 -1.96 -3.44 112.91 113.63 2jr1 h THR 17 Ca -0.48 -0.28 -0.48 0.00 0.77 0.00 0.00 66.41 65.94 2jr1 h THR 17 Cb 1.16 0.66 0.13 0.00 -1.74 0.00 0.00 68.15 68.36 2jr1 h THR 17 CO 0.51 0.05 0.30 -2.16 0.37 0.00 0.00 175.52 174.59 2jr1 s PRO 18 N -5.35 1.58 -1.17 6.66 0.04 -1.26 -4.94 135.00 130.56 2jr1 s PRO 18 Ca -0.15 0.59 -0.22 0.00 0.04 0.00 0.00 61.00 61.25 2jr1 s PRO 18 Cb 0.03 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2jr1 s PRO 18 CO 0.57 -1.96 1.88 -1.25 0.04 0.00 0.00 177.00 176.29 2jr1 s PRO 19 N -5.13 2.81 0.04 0.56 0.04 -1.26 -4.88 135.00 127.19 2jr1 s PRO 19 Ca 0.62 -1.23 0.02 0.00 0.04 0.00 0.00 61.00 60.45 2jr1 s PRO 19 Cb -0.15 -5.28 -0.02 0.00 0.04 0.00 0.00 34.50 29.08 2jr1 s PRO 19 CO 0.55 -3.55 -0.08 0.50 0.04 0.00 0.00 177.00 174.46 2jr1 s ARG 20 N 6.06 0.52 -0.28 4.56 6.06 -1.26 -5.15 118.95 129.46 2jr1 s ARG 20 Ca 0.65 -0.75 0.01 0.00 -2.50 0.00 0.00 55.73 53.14 2jr1 s ARG 20 Cb -0.00 -0.29 0.08 0.00 0.06 0.00 0.00 34.95 34.79 2jr1 s ARG 20 CO 0.10 0.05 -0.00 0.15 -2.50 0.00 0.00 175.30 173.10 2jr1 s LYS 21 N -1.57 1.45 -0.30 5.12 -0.14 -1.26 -4.49 119.74 118.55 2jr1 s LYS 21 Ca -0.10 -1.27 -0.22 0.00 -1.36 0.00 0.00 55.97 53.02 2jr1 s LYS 21 Cb -0.10 -2.66 -0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2jr1 s LYS 21 CO 0.00 -0.76 0.72 0.00 -0.76 0.00 0.00 175.35 174.55 2jr1 s ALA 22 N 1.29 3.54 -1.33 5.17 0.00 -1.25 -4.95 121.76 124.23 2jr1 s ALA 22 Ca 0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 2jr1 s ALA 22 Cb -0.19 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.78 2jr1 s ALA 22 CO -0.10 -1.12 1.87 -0.35 0.00 0.00 0.00 175.76 176.06 2jr1 n PRO 23 N 6.05 3.02 -3.14 0.00 -0.04 -1.26 -1.13 135.00 138.49 2jr1 n PRO 23 Ca 0.02 -3.05 -0.34 0.00 -0.04 0.00 0.00 63.50 60.08 2jr1 n PRO 23 Cb 0.48 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 2jr1 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jr1 s SER 24 N 4.07 6.91 -0.87 3.54 0.15 -1.26 -5.01 113.70 121.23 2jr1 s SER 24 Ca 0.53 1.32 -0.24 0.00 0.70 0.00 0.00 55.95 58.26 2jr1 s SER 24 Cb 0.06 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 2jr1 s SER 24 CO 0.04 -0.07 1.29 -0.54 1.20 0.00 0.00 173.24 175.16 2jr1 s LYS 25 N -2.43 3.39 -0.14 5.44 3.01 -1.25 -4.45 119.74 123.31 2jr1 s LYS 25 Ca 0.48 -0.86 -0.04 0.00 -1.01 0.00 0.00 55.97 54.54 2jr1 s LYS 25 Cb -0.14 -4.76 -0.03 0.00 -1.01 0.00 0.00 37.83 31.89 2jr1 s LYS 25 CO 0.19 -2.09 -0.02 0.00 0.51 0.00 0.00 175.35 173.95 2jr1 s ALA 26 N 4.85 3.12 -0.06 5.17 0.00 -1.26 -2.36 121.76 131.22 2jr1 s ALA 26 Ca 0.38 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 2jr1 s ALA 26 Cb -0.05 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2jr1 s ALA 26 CO 0.01 0.31 -0.02 0.15 0.00 0.00 0.00 175.76 176.21 2jr1 s LYS 27 N 0.04 0.73 -0.44 0.00 3.01 -1.20 -3.00 119.74 118.88 2jr1 s LYS 27 Ca 0.01 0.02 -0.09 0.00 -1.01 0.00 0.00 55.97 54.90 2jr1 s LYS 27 Cb -0.13 -0.96 0.10 0.00 -1.01 0.00 0.00 37.83 35.83 2jr1 s LYS 27 CO 0.02 -0.23 0.29 1.03 0.51 0.00 0.00 175.35 176.97 2jr1 s ARG 28 N 1.59 2.51 -0.01 1.68 0.52 -1.14 -2.63 118.95 121.47 2jr1 s ARG 28 Ca -0.00 -1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 53.59 2jr1 s ARG 28 Cb -0.13 -3.82 0.01 0.00 0.52 0.00 0.00 34.95 31.53 2jr1 s ARG 28 CO -0.04 -1.06 0.03 -1.21 0.02 0.00 0.00 175.30 173.04 2jr1 s GLU 29 N 1.38 0.00 -0.26 3.54 2.02 -0.96 -0.91 118.70 123.51 2jr1 s GLU 29 Ca 0.04 0.09 -0.17 0.00 0.02 0.00 0.00 54.97 54.96 2jr1 s GLU 29 Cb -0.24 -0.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 2jr1 s GLU 29 CO 0.00 -0.06 0.45 0.00 0.02 0.00 0.00 175.26 175.67 2jr1 s ALA 30 N 0.39 3.58 0.00 5.21 0.00 -1.18 -1.22 121.76 128.53 2jr1 s ALA 30 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2jr1 s ALA 30 Cb -0.05 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2jr1 s ALA 30 CO -0.01 -0.66 0.00 -0.35 0.00 0.00 0.00 175.76 174.73 2jr1 n PRO 31 N 5.35 0.00 -4.70 0.00 -0.04 -1.26 -4.78 135.00 129.57 2jr1 n PRO 31 Ca -0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 31 Cb 0.50 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.80 1.58 -0.09 0.52 -4.36 -1.26 -4.73 121.20 113.65 2jr1 s ILE 32 Ca 0.00 -0.71 0.29 0.00 -0.26 0.00 0.00 60.65 59.97 2jr1 s ILE 32 Cb 0.00 -1.41 0.37 0.00 1.25 0.00 0.00 42.46 42.67 2jr1 s ILE 32 CO 0.00 0.45 1.84 0.50 0.24 0.00 0.00 174.94 177.98 2jr1 h LYS 33 N 7.12 0.00 -0.45 0.37 1.63 -1.94 -2.50 116.57 120.81 2jr1 h LYS 33 Ca -0.28 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 2jr1 h LYS 33 Cb 1.20 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2jr1 h LYS 33 CO 0.48 0.01 0.26 -0.92 -3.45 0.00 0.00 179.45 175.83 2jr1 h TYR 34 N 0.00 0.60 0.05 1.91 3.20 -1.99 -3.37 116.97 117.37 2jr1 h TYR 34 Ca -0.00 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.62 2jr1 h TYR 34 Cb 0.70 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2jr1 h TYR 34 CO 0.00 0.44 -1.30 2.35 -1.64 0.00 0.00 178.16 178.01 2jr1 h TRP 35 N 0.59 0.18 -3.13 -3.82 7.01 -2.02 -3.48 115.95 111.29 2jr1 h TRP 35 Ca 0.16 -0.13 -0.65 0.00 2.11 0.00 0.00 58.89 60.38 2jr1 h TRP 35 Cb 0.02 -0.01 -0.13 0.00 -2.10 0.00 0.00 29.16 26.94 2jr1 h TRP 35 CO -0.03 1.51 -0.56 -0.51 -2.79 0.00 0.00 178.44 176.06 2jr1 s LEU 36 N -7.70 3.88 0.00 0.65 1.43 -0.94 -5.03 118.68 110.97 2jr1 s LEU 36 Ca -0.25 0.20 0.14 0.00 -1.03 0.00 0.00 54.13 53.19 2jr1 s LEU 36 Cb 0.05 -1.94 0.74 0.00 0.03 0.00 0.00 46.19 45.06 2jr1 s LEU 36 CO 0.67 0.30 1.33 -0.81 0.23 0.00 0.00 176.35 178.07 2jr1 n PRO 37 N 2.68 0.27 -3.74 1.29 -0.04 -1.26 -4.19 135.00 130.01 2jr1 n PRO 37 Ca -0.18 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2jr1 n PRO 37 Cb 0.53 -1.50 -0.17 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 -2.39 0.97 -0.93 0.54 2.46 -1.26 -5.06 115.29 109.62 2jr1 s HIS 38 Ca 0.15 -0.76 -0.19 0.00 0.47 0.00 0.00 55.06 54.73 2jr1 s HIS 38 Cb 0.09 -1.00 0.13 0.00 -0.13 0.00 0.00 32.58 31.67 2jr1 s HIS 38 CO 0.19 -0.57 1.13 -1.54 -2.47 0.00 0.00 174.74 171.48 2jr1 s SER 39 N 1.88 6.61 0.00 9.88 1.04 -1.26 -4.68 113.70 127.17 2jr1 s SER 39 Ca -0.00 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.43 2jr1 s SER 39 Cb -0.16 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2jr1 s SER 39 CO -0.08 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2jr1 n GLY 40 N 5.55 -0.35 3.24 7.32 0.00 -1.25 -4.63 105.19 115.06 2jr1 n GLY 40 Ca 0.24 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 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 2.57 -0.32 4.61 0.00 -0.36 -4.84 121.76 123.43 2jr1 s ALA 41 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 2jr1 s ALA 41 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2jr1 s ALA 41 CO 0.00 -0.28 0.56 -0.08 0.00 0.00 0.00 175.76 175.95 2jr1 s THR 42 N 1.21 4.99 -0.37 0.00 -1.32 -1.26 -2.27 115.64 116.62 2jr1 s THR 42 Ca 0.02 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 2jr1 s THR 42 Cb -0.14 -3.96 0.10 0.00 -1.51 0.00 0.00 72.50 67.00 2jr1 s THR 42 CO -0.05 -0.14 0.13 0.86 -2.21 0.00 0.00 174.62 173.20 2jr1 s TRP 43 N 2.47 3.66 -0.77 9.09 -0.11 -1.08 -5.00 118.94 127.20 2jr1 s TRP 43 Ca 0.21 -2.67 -0.20 0.00 1.22 0.00 0.00 56.10 54.66 2jr1 s TRP 43 Cb -0.15 -3.05 0.10 0.00 -1.50 0.00 0.00 33.47 28.87 2jr1 s TRP 43 CO 0.12 -0.96 1.00 -1.12 -4.62 0.00 0.00 176.95 171.38 2jr1 s SER 44 N 1.38 6.38 0.00 5.86 0.01 -1.26 -3.25 113.70 122.83 2jr1 s SER 44 Ca 0.09 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2jr1 s SER 44 Cb -0.21 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2jr1 s SER 44 CO -0.06 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 172.97 2jr1 n GLY 45 N 5.39 -1.48 3.73 3.44 0.00 -1.00 -4.93 105.19 110.35 2jr1 n GLY 45 Ca 0.08 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.25 1.61 3.00 -1.26 -3.83 118.95 121.89 2jr1 s ARG 46 Ca 0.00 1.57 -0.19 0.00 -1.00 0.00 0.00 55.73 56.11 2jr1 s ARG 46 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 34.95 31.63 2jr1 s ARG 46 CO 0.00 0.18 1.85 0.41 0.00 0.00 0.00 175.30 177.74 2jr1 n GLY 47 N 2.10 2.24 3.69 8.12 0.00 -1.26 -4.87 105.19 115.21 2jr1 n GLY 47 Ca 0.02 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 4.89 4.41 -0.19 1.61 0.00 -1.26 -5.06 119.74 124.14 2jr1 s LYS 48 Ca 0.58 1.25 -0.01 0.00 0.00 0.00 0.00 55.97 57.79 2jr1 s LYS 48 Cb 0.04 -3.53 0.05 0.00 0.00 0.00 0.00 37.83 34.39 2jr1 s LYS 48 CO 0.09 -0.24 -0.03 0.42 0.00 0.00 0.00 175.35 175.59 2jr1 s ILE 49 N 1.79 1.06 -0.04 3.79 1.09 -1.26 -4.73 121.20 122.90 2jr1 s ILE 49 Ca 0.45 -0.79 -0.03 0.00 -1.10 0.00 0.00 60.65 59.19 2jr1 s ILE 49 Cb -0.18 -1.36 -0.09 0.00 -1.06 0.00 0.00 42.46 39.76 2jr1 s ILE 49 CO 0.18 -0.04 2.69 -0.81 -0.10 0.00 0.00 174.94 176.85 2jr1 n PRO 50 N 4.86 1.52 -0.03 2.79 -0.04 -1.26 -4.50 135.00 138.34 2jr1 n PRO 50 Ca -0.11 -0.61 -0.14 0.00 -0.04 0.00 0.00 63.50 62.61 2jr1 n PRO 50 Cb 0.46 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.92 0.12 0.00 0.54 1.79 -1.97 0.64 116.57 119.61 2jr1 h LYS 51 Ca 0.11 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2jr1 h LYS 51 Cb 1.19 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2jr1 h LYS 51 CO 0.18 0.70 -0.06 -1.00 -1.08 0.00 0.00 179.45 178.19 2jr1 h PRO 52 N -0.44 0.00 0.31 3.15 0.13 -1.98 -1.50 132.00 131.67 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2jr1 h PRO 52 CO 0.02 0.06 -0.15 0.35 -0.23 0.00 0.00 178.00 178.06 2jr1 h PHE 53 N 0.00 -0.38 0.00 1.56 3.57 -1.88 -2.33 116.94 117.48 2jr1 h PHE 53 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jr1 h PHE 53 Cb 0.14 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2jr1 h PHE 53 CO 0.00 -0.24 0.00 1.49 -2.23 0.00 0.00 178.31 177.33 2jr1 h GLU 54 N -0.73 0.00 0.01 1.11 4.81 -0.93 0.14 114.58 118.98 2jr1 h GLU 54 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jr1 h GLU 54 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2jr1 h GLU 54 CO 0.07 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.35 2jr1 h ALA 55 N 2.02 -0.01 -0.16 2.92 0.00 -1.41 -3.10 119.26 119.53 2jr1 h ALA 55 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2jr1 h ALA 55 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jr1 h ALA 55 CO 0.00 -0.14 -0.49 2.35 0.00 0.00 0.00 179.25 180.97 2jr1 h TRP 56 N -0.75 0.52 0.00 0.00 2.91 -1.10 0.95 115.95 118.49 2jr1 h TRP 56 Ca -0.00 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.85 2jr1 h TRP 56 Cb 0.73 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 2jr1 h TRP 56 CO 0.18 0.83 0.00 -0.89 -1.03 0.00 0.00 178.44 177.54 2jr1 n ILE 57 N -3.97 0.89 0.02 2.65 2.08 0.46 -3.46 119.36 118.02 2jr1 n ILE 57 Ca -0.02 0.22 0.01 0.00 0.56 0.00 0.00 62.75 63.52 2jr1 n ILE 57 Cb 0.56 -1.16 -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 -0.96 0.09 0.21 7.39 0.00 -0.57 -3.56 105.19 107.78 2jr1 n GLY 58 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.66 0.00 2.61 2.02 -0.89 -3.26 112.91 114.05 2jr1 h THR 59 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2jr1 h THR 59 Cb 0.08 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2jr1 h THR 59 CO 0.00 0.04 -0.96 0.00 0.37 0.00 0.00 175.52 174.97 2jr1 n ALA 60 N -2.60 1.98 0.28 6.16 0.00 -1.26 -4.87 120.51 120.20 2jr1 n ALA 60 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2jr1 n ALA 60 Cb 0.27 0.37 0.81 0.00 0.00 0.00 0.00 19.45 20.90 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 1.42 -0.87 0.00 0.00 -1.76 -3.26 119.26 114.78 2jr1 h ALA 61 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 2jr1 h ALA 61 Cb 0.96 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 2jr1 h ALA 61 CO 0.00 0.08 0.16 -0.92 0.00 0.00 0.00 179.25 178.57 2jr1 h TYR 62 N 0.00 0.21 -0.66 0.00 3.20 -1.61 0.12 116.97 118.24 2jr1 h TYR 62 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2jr1 h TYR 62 Cb 0.17 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2jr1 h TYR 62 CO 0.00 -0.26 0.38 0.00 -1.64 0.00 0.00 178.16 176.64 2jr1 h THR 63 N 0.15 1.19 -0.02 1.81 1.03 -1.87 -0.50 112.91 114.70 2jr1 h THR 63 Ca 0.53 -0.44 -0.23 0.00 -0.01 0.00 0.00 66.41 66.26 2jr1 h THR 63 Cb 1.06 0.28 0.02 0.00 -1.07 0.00 0.00 68.15 68.44 2jr1 h THR 63 CO -0.70 0.20 -0.89 0.00 -0.01 0.00 0.00 175.52 174.13 2jr1 h ALA 64 N 1.51 0.14 -0.69 0.00 0.00 -1.58 -3.34 119.26 115.31 2jr1 h ALA 64 Ca 0.23 -0.65 0.08 0.00 0.00 0.00 0.00 54.91 54.58 2jr1 h ALA 64 Cb -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2jr1 h ALA 64 CO -0.04 0.59 0.36 2.35 0.00 0.00 0.00 179.25 182.51 2jr1 h TRP 65 N 0.29 0.64 -0.08 0.00 7.01 -0.64 -2.72 115.95 120.44 2jr1 h TRP 65 Ca -0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2jr1 h TRP 65 Cb 1.55 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.42 2jr1 h TRP 65 CO 0.11 0.26 0.01 0.87 -2.79 0.00 0.00 178.44 176.91 2jr1 h LYS 66 N 0.63 0.11 -0.26 2.65 1.79 -1.25 -0.62 116.57 119.62 2jr1 h LYS 66 Ca 0.33 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.64 2jr1 h LYS 66 Cb 0.29 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2jr1 h LYS 66 CO -0.23 0.11 -0.45 0.00 -1.08 0.00 0.00 179.45 177.80 2jr1 h ALA 67 N 1.91 0.73 -0.13 3.86 0.00 -1.63 -3.36 119.26 120.64 2jr1 h ALA 67 Ca 0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 2jr1 h ALA 67 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jr1 h ALA 67 CO -0.00 0.67 -0.63 0.87 0.00 0.00 0.00 179.25 180.15 2jr1 h LYS 68 N 0.53 0.46 -3.49 0.00 1.57 -1.12 -3.47 116.57 111.05 2jr1 h LYS 68 Ca 0.04 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.35 2jr1 h LYS 68 Cb 0.99 0.05 -0.20 0.00 0.08 0.00 0.00 32.23 33.15 2jr1 h LYS 68 CO 0.09 0.95 -0.46 -1.01 -0.57 0.00 0.00 179.45 178.44 2jr1 s HIS 69 N -3.81 0.03 0.00 -1.35 3.76 -0.29 -5.11 115.29 108.52 2jr1 s HIS 69 Ca -0.06 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2jr1 s HIS 69 Cb 0.11 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2jr1 s HIS 69 CO 0.84 -0.32 0.35 -0.35 -0.85 0.00 0.00 174.74 174.41 2jr1 n PRO 70 N 1.31 0.00 -2.57 8.40 -0.04 -1.26 -4.15 135.00 136.69 2jr1 n PRO 70 Ca -0.22 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 2jr1 n PRO 70 Cb 0.56 -0.87 0.04 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.66 2.67 -0.03 3.54 2.03 -1.26 -4.81 116.55 118.03 2jr1 n ASP 71 Ca 0.00 -2.61 -0.13 0.00 0.52 0.00 0.00 54.79 52.57 2jr1 n ASP 71 Cb 0.00 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 39.88 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 2.49 0.16 -6.89 -0.67 4.81 -1.93 -3.45 114.58 109.11 2jr1 h GLU 72 Ca 0.03 -0.07 -0.50 0.00 -0.13 0.00 0.00 59.36 58.68 2jr1 h GLU 72 Cb 1.35 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.76 2jr1 h GLU 72 CO 0.38 0.54 0.49 0.21 -0.73 0.00 0.00 179.01 179.91 2jr1 s LYS 73 N -4.51 4.33 0.06 1.92 2.36 -1.26 -4.28 119.74 118.36 2jr1 s LYS 73 Ca -0.15 1.82 -0.31 0.00 -2.55 0.00 0.00 55.97 54.78 2jr1 s LYS 73 Cb 0.04 -2.90 -0.06 0.00 -1.05 0.00 0.00 37.83 33.86 2jr1 s LYS 73 CO 0.71 -0.07 1.23 0.12 1.55 0.00 0.00 175.35 178.89 2jr1 s PHE 74 N -1.33 3.39 -1.19 4.03 5.36 -1.26 -4.94 117.98 122.04 2jr1 s PHE 74 Ca 0.51 1.23 -0.21 0.00 -0.96 0.00 0.00 56.93 57.50 2jr1 s PHE 74 Cb -0.31 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 2jr1 s PHE 74 CO 0.39 -1.48 1.85 -1.25 -1.46 0.00 0.00 175.22 173.27 2jr1 s PRO 75 N 1.13 3.03 -0.15 10.12 0.04 -1.26 -4.94 135.00 142.98 2jr1 s PRO 75 Ca 0.60 -1.36 -0.05 0.00 0.04 0.00 0.00 61.00 60.23 2jr1 s PRO 75 Cb -0.31 -5.33 -0.04 0.00 0.04 0.00 0.00 34.50 28.87 2jr1 s PRO 75 CO 0.29 -3.30 0.02 0.00 0.04 0.00 0.00 177.00 174.06 2jr1 s ALA 76 N 8.48 3.29 0.33 8.56 0.00 -1.26 -5.13 121.76 136.03 2jr1 s ALA 76 Ca 0.63 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2jr1 s ALA 76 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2jr1 s ALA 76 CO 0.09 0.32 0.50 -0.59 0.00 0.00 0.00 175.76 176.08 2jr1 s PHE 77 N -0.04 3.41 -0.73 0.00 -0.71 -1.26 -4.41 117.98 114.24 2jr1 s PHE 77 Ca 0.04 0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.83 2jr1 s PHE 77 Cb -0.13 -1.86 0.02 0.00 -1.21 0.00 0.00 43.02 39.84 2jr1 s PHE 77 CO 0.02 0.14 1.37 -1.25 -1.34 0.00 0.00 175.22 174.15 2jr1 s PRO 78 N -4.24 3.12 0.00 1.99 0.04 -1.26 -4.76 135.00 129.89 2jr1 s PRO 78 Ca 0.40 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2jr1 s PRO 78 Cb -0.09 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2jr1 s PRO 78 CO 0.34 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.55