#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 0.91 -3.59 4.37 -1.24 -2.05 -3.36 115.58 110.63 2jr1 h ASN 2 Ca 0.00 -0.38 -0.62 0.00 0.71 0.00 0.00 56.30 56.01 2jr1 h ASN 2 Cb 0.00 -0.25 -0.13 0.00 0.73 0.00 0.00 38.32 38.67 2jr1 h ASN 2 CO 0.00 1.09 -0.01 0.54 -1.29 0.00 0.00 177.43 177.75 2jr1 s VAL 3 N -4.72 5.05 -0.19 2.57 0.11 -1.26 -4.99 120.40 116.96 2jr1 s VAL 3 Ca -0.12 0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2jr1 s VAL 3 Cb 0.11 -3.86 0.09 0.00 -1.53 0.00 0.00 36.38 31.19 2jr1 s VAL 3 CO 0.85 0.01 0.27 -0.54 -3.33 0.00 0.00 175.10 172.36 2jr1 s LYS 4 N 2.35 0.21 0.88 1.54 -0.14 -1.26 -5.17 119.74 118.15 2jr1 s LYS 4 Ca 0.21 0.45 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 2jr1 s LYS 4 Cb -0.15 -0.68 0.12 0.00 -1.68 0.00 0.00 37.83 35.44 2jr1 s LYS 4 CO 0.10 -0.53 1.11 -0.65 -0.76 0.00 0.00 175.35 174.62 2jr1 s GLN 5 N 2.40 1.33 0.72 1.68 -0.21 -1.26 -4.93 119.66 119.38 2jr1 s GLN 5 Ca 0.06 1.26 -0.14 0.00 0.02 0.00 0.00 55.36 56.57 2jr1 s GLN 5 Cb -0.14 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.12 2jr1 s GLN 5 CO -0.12 -2.32 1.14 0.15 -2.12 0.00 0.00 175.29 172.02 2jr1 s LYS 6 N -4.76 2.36 -0.22 2.91 3.01 -1.26 -5.04 119.74 116.74 2jr1 s LYS 6 Ca 0.64 1.47 -0.04 0.00 -1.01 0.00 0.00 55.97 57.04 2jr1 s LYS 6 Cb -0.20 -1.89 0.11 0.00 -1.01 0.00 0.00 37.83 34.84 2jr1 s LYS 6 CO 0.58 -1.60 0.37 -1.12 0.51 0.00 0.00 175.35 174.09 2jr1 s SER 7 N -2.56 0.15 -0.30 2.83 0.01 -1.26 -5.02 113.70 107.55 2jr1 s SER 7 Ca 0.68 0.45 0.01 0.00 1.31 0.00 0.00 55.95 58.40 2jr1 s SER 7 Cb -0.23 1.12 0.07 0.00 0.21 0.00 0.00 66.02 67.20 2jr1 s SER 7 CO 0.46 -0.28 -0.01 -1.61 0.41 0.00 0.00 173.24 172.22 2jr1 s GLU 8 N 2.55 2.11 -0.05 12.44 2.02 -1.25 -3.33 118.70 133.19 2jr1 s GLU 8 Ca 0.08 -1.49 0.01 0.00 0.02 0.00 0.00 54.97 53.59 2jr1 s GLU 8 Cb -0.14 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2jr1 s GLU 8 CO -0.14 -0.72 -0.05 0.42 0.02 0.00 0.00 175.26 174.79 2jr1 s ILE 9 N 1.11 3.85 0.76 -1.63 -1.09 -0.32 -5.01 121.20 118.88 2jr1 s ILE 9 Ca -0.02 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 57.77 2jr1 s ILE 9 Cb -0.20 -2.62 0.06 0.00 -1.58 0.00 0.00 42.46 38.12 2jr1 s ILE 9 CO -0.04 0.54 1.14 -0.89 -1.23 0.00 0.00 174.94 174.45 2jr1 s THR 10 N -0.89 2.77 -0.10 2.92 2.01 -1.26 -3.25 115.64 117.83 2jr1 s THR 10 Ca 0.14 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 2jr1 s THR 10 Cb -0.11 -2.73 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 2jr1 s THR 10 CO 0.04 -0.27 1.84 0.00 -0.69 0.00 0.00 174.62 175.54 2jr1 s ALA 11 N -2.46 3.35 0.43 7.40 0.00 -1.22 -4.83 121.76 124.44 2jr1 s ALA 11 Ca 0.67 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.60 2jr1 s ALA 11 Cb -0.22 -3.86 0.01 0.00 0.00 0.00 0.00 23.12 19.04 2jr1 s ALA 11 CO 0.50 -1.86 0.59 -1.17 0.00 0.00 0.00 175.76 173.82 2jr1 s LEU 12 N 5.26 3.62 0.87 0.00 2.96 -1.26 -4.89 118.68 125.23 2jr1 s LEU 12 Ca 0.82 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 2jr1 s LEU 12 Cb -0.34 -2.66 0.06 0.00 0.50 0.00 0.00 46.19 43.75 2jr1 s LEU 12 CO 0.34 -0.80 0.76 1.33 -1.32 0.00 0.00 176.35 176.66 2jr1 n VAL 13 N -1.90 0.81 -2.10 1.68 0.24 -1.26 -4.36 118.33 111.44 2jr1 n VAL 13 Ca 0.08 -0.19 -0.37 0.00 -2.04 0.00 0.00 64.34 61.81 2jr1 n VAL 13 Cb 0.59 -0.85 0.01 0.00 -1.47 0.00 0.00 33.84 32.12 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 -3.79 3.51 -0.16 7.34 2.20 -1.12 -4.92 119.74 122.81 2jr1 s LYS 14 Ca 0.64 1.91 -0.29 0.00 -0.36 0.00 0.00 55.97 57.87 2jr1 s LYS 14 Cb -0.26 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2jr1 s LYS 14 CO 0.60 -0.79 1.43 -1.21 -0.36 0.00 0.00 175.35 175.02 2jr1 s GLU 15 N -2.81 4.12 -0.03 4.03 0.41 -1.26 -4.69 118.70 118.46 2jr1 s GLU 15 Ca 0.67 1.76 0.01 0.00 -0.41 0.00 0.00 54.97 57.01 2jr1 s GLU 15 Cb -0.32 -3.88 0.01 0.00 -1.78 0.00 0.00 34.13 28.16 2jr1 s GLU 15 CO 0.38 -0.88 -0.06 0.08 -0.49 0.00 0.00 175.26 174.30 2jr1 s VAL 16 N 4.01 0.58 -0.06 2.63 1.01 -1.26 -5.10 120.40 122.20 2jr1 s VAL 16 Ca 0.63 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 2jr1 s VAL 16 Cb -0.25 -0.56 -0.15 0.00 0.00 0.00 0.00 36.38 35.42 2jr1 s VAL 16 CO 0.22 0.21 0.78 0.74 0.00 0.00 0.00 175.10 177.06 2jr1 h THR 17 N 5.84 0.80 -4.14 3.92 2.02 -1.95 -3.47 112.91 115.93 2jr1 h THR 17 Ca -0.36 -1.18 -0.47 0.00 0.77 0.00 0.00 66.41 65.17 2jr1 h THR 17 Cb 1.16 1.37 0.13 0.00 -1.74 0.00 0.00 68.15 69.08 2jr1 h THR 17 CO 0.48 0.22 0.28 -2.16 0.37 0.00 0.00 175.52 174.71 2jr1 s PRO 18 N -3.18 1.25 -1.17 6.66 0.04 -1.26 -4.94 135.00 132.40 2jr1 s PRO 18 Ca -0.12 0.53 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 2jr1 s PRO 18 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2jr1 s PRO 18 CO 0.44 -2.17 1.87 -1.25 0.04 0.00 0.00 177.00 175.92 2jr1 s PRO 19 N -5.12 2.90 -0.21 0.56 0.04 -1.26 -4.86 135.00 127.06 2jr1 s PRO 19 Ca 0.63 -1.26 -0.15 0.00 0.04 0.00 0.00 61.00 60.27 2jr1 s PRO 19 Cb -0.16 -5.30 0.06 0.00 0.04 0.00 0.00 34.50 29.14 2jr1 s PRO 19 CO 0.55 -3.43 0.53 0.50 0.04 0.00 0.00 177.00 175.20 2jr1 s ARG 20 N 5.94 0.57 -0.22 4.56 6.06 -1.26 -5.16 118.95 129.44 2jr1 s ARG 20 Ca 0.64 0.88 0.01 0.00 -2.50 0.00 0.00 55.73 54.76 2jr1 s ARG 20 Cb -0.00 0.15 0.03 0.00 0.06 0.00 0.00 34.95 35.19 2jr1 s ARG 20 CO 0.09 -0.12 -0.14 0.15 -2.50 0.00 0.00 175.30 172.78 2jr1 s LYS 21 N 1.00 2.74 -0.18 5.12 -0.14 -1.26 -4.76 119.74 122.26 2jr1 s LYS 21 Ca -0.06 -1.01 -0.14 0.00 -1.36 0.00 0.00 55.97 53.39 2jr1 s LYS 21 Cb -0.06 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 2jr1 s LYS 21 CO -0.09 -0.36 0.33 0.00 -0.76 0.00 0.00 175.35 174.47 2jr1 s ALA 22 N 1.24 3.57 -1.20 5.17 0.00 -1.26 -5.04 121.76 124.24 2jr1 s ALA 22 Ca -0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 2jr1 s ALA 22 Cb -0.16 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.54 2jr1 s ALA 22 CO -0.09 -0.08 1.63 -1.25 0.00 0.00 0.00 175.76 175.98 2jr1 s PRO 23 N 0.83 3.86 0.36 0.00 0.04 -1.26 -2.81 135.00 136.02 2jr1 s PRO 23 Ca 0.17 -1.74 0.01 0.00 0.04 0.00 0.00 61.00 59.48 2jr1 s PRO 23 Cb -0.14 -5.46 -0.02 0.00 0.04 0.00 0.00 34.50 28.92 2jr1 s PRO 23 CO 0.06 -2.22 0.56 0.45 0.04 0.00 0.00 177.00 175.88 2jr1 s SER 24 N 4.42 6.17 -0.54 6.66 0.15 -1.26 -5.01 113.70 124.28 2jr1 s SER 24 Ca 0.51 0.34 -0.26 0.00 0.70 0.00 0.00 55.95 57.24 2jr1 s SER 24 Cb 0.02 -1.85 0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2jr1 s SER 24 CO 0.02 -0.38 1.04 -0.54 1.20 0.00 0.00 173.24 174.58 2jr1 s LYS 25 N -4.34 3.46 -0.09 5.44 3.01 -1.26 -4.76 119.74 121.20 2jr1 s LYS 25 Ca 0.42 0.05 0.02 0.00 -1.01 0.00 0.00 55.97 55.44 2jr1 s LYS 25 Cb -0.10 -4.01 -0.02 0.00 -1.01 0.00 0.00 37.83 32.70 2jr1 s LYS 25 CO 0.36 -1.50 -0.15 0.00 0.51 0.00 0.00 175.35 174.57 2jr1 s ALA 26 N 4.29 2.58 -0.03 5.17 0.00 -1.26 -1.56 121.76 130.95 2jr1 s ALA 26 Ca 0.37 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2jr1 s ALA 26 Cb -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2jr1 s ALA 26 CO 0.24 0.39 0.05 0.15 0.00 0.00 0.00 175.76 176.58 2jr1 s LYS 27 N -0.13 -0.06 -0.38 0.00 3.01 -1.19 -3.38 119.74 117.61 2jr1 s LYS 27 Ca -0.02 0.30 -0.09 0.00 -1.01 0.00 0.00 55.97 55.16 2jr1 s LYS 27 Cb -0.14 -0.38 0.05 0.00 -1.01 0.00 0.00 37.83 36.35 2jr1 s LYS 27 CO 0.04 -0.26 0.19 1.03 0.51 0.00 0.00 175.35 176.86 2jr1 s ARG 28 N 1.67 2.67 -0.11 1.68 0.52 -1.20 -2.94 118.95 121.24 2jr1 s ARG 28 Ca -0.02 -1.26 -0.05 0.00 -0.52 0.00 0.00 55.73 53.89 2jr1 s ARG 28 Cb -0.12 -3.66 0.06 0.00 0.52 0.00 0.00 34.95 31.74 2jr1 s ARG 28 CO -0.03 -0.78 0.24 -1.21 0.02 0.00 0.00 175.30 173.54 2jr1 s GLU 29 N 1.46 0.15 -0.34 3.54 2.02 -1.23 -1.17 118.70 123.12 2jr1 s GLU 29 Ca 0.01 0.64 -0.17 0.00 0.02 0.00 0.00 54.97 55.48 2jr1 s GLU 29 Cb -0.21 -0.09 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2jr1 s GLU 29 CO 0.04 -0.24 0.44 0.00 0.02 0.00 0.00 175.26 175.51 2jr1 s ALA 30 N 1.98 3.49 0.00 5.21 0.00 -1.21 -3.93 121.76 127.30 2jr1 s ALA 30 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2jr1 s ALA 30 Cb -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2jr1 s ALA 30 CO -0.08 -1.13 0.00 -0.35 0.00 0.00 0.00 175.76 174.20 2jr1 n PRO 31 N 5.55 0.00 -4.29 0.00 -0.04 -1.26 -4.74 135.00 130.22 2jr1 n PRO 31 Ca -0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.19 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 0.34 0.66 0.23 0.52 -4.36 -1.26 -4.73 121.20 112.60 2jr1 s ILE 32 Ca 0.00 -0.25 0.19 0.00 -0.26 0.00 0.00 60.65 60.33 2jr1 s ILE 32 Cb 0.00 -0.63 0.14 0.00 1.25 0.00 0.00 42.46 43.22 2jr1 s ILE 32 CO 0.00 0.23 1.79 0.50 0.24 0.00 0.00 174.94 177.70 2jr1 h LYS 33 N 6.77 0.00 -0.64 0.37 1.63 -1.95 -2.26 116.57 120.49 2jr1 h LYS 33 Ca -0.35 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.46 2jr1 h LYS 33 Cb 1.17 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2jr1 h LYS 33 CO 0.48 0.35 0.42 -0.92 -3.45 0.00 0.00 179.45 176.33 2jr1 h TYR 34 N 0.00 0.80 0.10 1.91 3.20 -1.98 -3.34 116.97 117.66 2jr1 h TYR 34 Ca -0.00 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.61 2jr1 h TYR 34 Cb 0.80 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2jr1 h TYR 34 CO 0.00 0.49 -1.44 2.35 -1.64 0.00 0.00 178.16 177.92 2jr1 h TRP 35 N 0.86 0.40 -3.19 -3.82 2.91 -2.01 -3.47 115.95 107.62 2jr1 h TRP 35 Ca 0.24 -0.29 -0.66 0.00 1.13 0.00 0.00 58.89 59.31 2jr1 h TRP 35 Cb -0.08 -0.02 -0.34 0.00 -0.51 0.00 0.00 29.16 28.22 2jr1 h TRP 35 CO -0.03 1.57 -0.86 -0.51 -1.03 0.00 0.00 178.44 177.57 2jr1 s LEU 36 N -7.53 2.06 0.58 0.65 1.43 -0.85 -5.06 118.68 109.95 2jr1 s LEU 36 Ca -0.21 -0.59 0.35 0.00 -1.03 0.00 0.00 54.13 52.66 2jr1 s LEU 36 Cb 0.05 -1.40 1.71 0.00 0.03 0.00 0.00 46.19 46.58 2jr1 s LEU 36 CO 0.75 0.06 2.12 1.55 0.23 0.00 0.00 176.35 181.07 2jr1 h PRO 37 N 7.40 0.00 -4.81 1.29 0.13 -1.85 -3.37 132.00 130.79 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 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2jr1 h PRO 37 CO 0.55 0.04 -0.75 -1.58 -0.23 0.00 0.00 178.00 176.04 2jr1 s HIS 38 N -3.95 3.27 -0.54 1.56 2.46 -1.26 -4.95 115.29 111.88 2jr1 s HIS 38 Ca -0.02 -2.09 -0.23 0.00 0.47 0.00 0.00 55.06 53.19 2jr1 s HIS 38 Cb 0.11 -2.04 0.05 0.00 -0.13 0.00 0.00 32.58 30.57 2jr1 s HIS 38 CO 0.52 -0.84 0.87 -1.12 -2.47 0.00 0.00 174.74 171.69 2jr1 s SER 39 N 1.18 6.31 0.00 9.88 0.01 -1.26 -4.73 113.70 125.10 2jr1 s SER 39 Ca -0.07 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2jr1 s SER 39 Cb -0.20 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2jr1 s SER 39 CO -0.03 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.08 2jr1 n GLY 40 N 5.13 0.70 3.01 3.44 0.00 -1.26 -4.73 105.19 111.48 2jr1 n GLY 40 Ca -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 0.98 -0.16 4.61 0.00 -1.25 -4.97 121.76 120.97 2jr1 s ALA 41 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2jr1 s ALA 41 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2jr1 s ALA 41 CO 0.00 0.14 0.57 -0.08 0.00 0.00 0.00 175.76 176.39 2jr1 s THR 42 N 0.30 5.09 -0.30 0.00 -1.32 -1.26 -3.57 115.64 114.58 2jr1 s THR 42 Ca -0.06 1.10 0.02 0.00 -1.21 0.00 0.00 61.69 61.55 2jr1 s THR 42 Cb -0.10 -3.90 0.09 0.00 -1.51 0.00 0.00 72.50 67.07 2jr1 s THR 42 CO 0.01 0.20 0.02 0.86 -2.21 0.00 0.00 174.62 173.51 2jr1 s TRP 43 N 1.35 2.94 -0.65 9.09 -0.11 -1.15 -5.01 118.94 125.40 2jr1 s TRP 43 Ca 0.28 -2.37 -0.15 0.00 1.22 0.00 0.00 56.10 55.08 2jr1 s TRP 43 Cb -0.16 -2.25 0.16 0.00 -1.50 0.00 0.00 33.47 29.72 2jr1 s TRP 43 CO 0.11 -0.89 0.60 -1.54 -4.62 0.00 0.00 176.95 170.62 2jr1 s SER 44 N 1.20 6.41 0.00 5.86 1.04 -1.26 -3.15 113.70 123.80 2jr1 s SER 44 Ca 0.05 -2.14 0.00 0.00 0.48 0.00 0.00 55.95 54.34 2jr1 s SER 44 Cb -0.19 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2jr1 s SER 44 CO -0.11 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2jr1 n GLY 45 N 4.75 -0.95 3.75 7.32 0.00 -0.60 -4.90 105.19 114.57 2jr1 n GLY 45 Ca -0.03 0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 4.64 -0.85 1.61 3.00 -1.26 -4.38 118.95 121.70 2jr1 s ARG 46 Ca 0.00 1.76 -0.25 0.00 -1.00 0.00 0.00 55.73 56.24 2jr1 s ARG 46 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 34.95 31.70 2jr1 s ARG 46 CO 0.00 0.19 1.82 0.20 0.00 0.00 0.00 175.30 177.51 2jr1 s GLY 47 N -0.65 0.38 -0.66 8.12 0.00 -1.26 -4.94 107.32 108.31 2jr1 s GLY 47 Ca 0.46 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.55 2jr1 s GLY 47 CO 0.38 3.31 0.81 1.25 0.00 0.00 0.00 173.10 178.86 2jr1 s LYS 48 N 6.65 3.16 -0.33 2.90 2.36 -1.26 -5.00 119.74 128.22 2jr1 s LYS 48 Ca 0.64 -1.36 -0.00 0.00 -2.55 0.00 0.00 55.97 52.70 2jr1 s LYS 48 Cb -0.07 -4.35 0.08 0.00 -1.05 0.00 0.00 37.83 32.44 2jr1 s LYS 48 CO 0.03 -1.61 0.05 0.42 1.55 0.00 0.00 175.35 175.80 2jr1 s ILE 49 N 2.80 2.81 -0.01 5.43 1.09 -1.26 -4.68 121.20 127.37 2jr1 s ILE 49 Ca 0.17 -1.82 -0.03 0.00 -1.10 0.00 0.00 60.65 57.87 2jr1 s ILE 49 Cb -0.19 -2.81 -0.10 0.00 -1.06 0.00 0.00 42.46 38.29 2jr1 s ILE 49 CO 0.04 -0.37 2.67 -0.81 -0.10 0.00 0.00 174.94 176.37 2jr1 n PRO 50 N 4.51 1.45 0.10 2.79 -0.04 -1.26 -4.47 135.00 138.08 2jr1 n PRO 50 Ca -0.06 -0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 62.79 2jr1 n PRO 50 Cb 0.42 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.86 -0.27 0.00 0.54 6.56 -1.97 0.17 116.57 123.45 2jr1 h LYS 51 Ca 0.09 0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 2jr1 h LYS 51 Cb 1.20 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2jr1 h LYS 51 CO 0.13 0.08 -0.14 -1.00 -2.06 0.00 0.00 179.45 176.45 2jr1 h PRO 52 N -0.68 0.00 0.32 3.15 0.13 -1.96 -1.54 132.00 131.42 2jr1 h PRO 52 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2jr1 h PRO 52 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2jr1 h PRO 52 CO 0.05 0.14 -0.16 0.35 -0.23 0.00 0.00 178.00 178.15 2jr1 h PHE 53 N 0.00 -0.40 0.00 1.56 3.57 -1.88 -2.38 116.94 117.41 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 0.25 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 2jr1 h PHE 53 CO 0.00 -0.25 -0.02 1.49 -2.23 0.00 0.00 178.31 177.30 2jr1 h GLU 54 N -0.77 0.00 0.07 1.11 4.81 -1.04 0.82 114.58 119.57 2jr1 h GLU 54 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jr1 h GLU 54 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2jr1 h GLU 54 CO 0.07 0.02 -0.03 0.00 -0.73 0.00 0.00 179.01 178.34 2jr1 h ALA 55 N 1.98 -0.09 -0.60 2.92 0.00 -1.41 -2.84 119.26 119.22 2jr1 h ALA 55 Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2jr1 h ALA 55 Cb 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jr1 h ALA 55 CO 0.00 -0.23 0.16 2.35 0.00 0.00 0.00 179.25 181.53 2jr1 h TRP 56 N -0.73 0.95 0.00 0.00 7.01 -1.10 0.21 115.95 122.29 2jr1 h TRP 56 Ca -0.01 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.90 2jr1 h TRP 56 Cb 0.59 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2jr1 h TRP 56 CO 0.12 0.78 0.00 -0.89 -2.79 0.00 0.00 178.44 175.66 2jr1 n ILE 57 N -4.27 0.41 -0.01 2.65 2.08 0.25 -3.58 119.36 116.90 2jr1 n ILE 57 Ca 0.05 0.10 -0.01 0.00 0.56 0.00 0.00 62.75 63.45 2jr1 n ILE 57 Cb 0.23 -1.01 -0.01 0.00 -0.75 0.00 0.00 39.64 38.09 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 -0.73 -0.09 0.26 7.39 0.00 -0.38 -3.66 105.19 107.98 2jr1 n GLY 58 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.49 0.00 2.61 2.02 -0.70 -2.98 112.91 114.35 2jr1 h THR 59 Ca -0.05 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2jr1 h THR 59 Cb 1.06 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2jr1 h THR 59 CO 0.00 0.04 -1.02 0.00 0.37 0.00 0.00 175.52 174.91 2jr1 n ALA 60 N -2.73 1.99 0.28 6.16 0.00 -1.26 -4.87 120.51 120.08 2jr1 n ALA 60 Ca 0.13 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.70 2jr1 n ALA 60 Cb 0.43 0.29 0.84 0.00 0.00 0.00 0.00 19.45 21.01 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 0.01 1.23 -0.76 0.00 0.00 -1.77 -3.31 119.26 114.66 2jr1 h ALA 61 Ca -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.02 2jr1 h ALA 61 Cb 1.02 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2jr1 h ALA 61 CO 0.00 0.08 0.05 -0.92 0.00 0.00 0.00 179.25 178.46 2jr1 h TYR 62 N 0.00 0.03 -0.76 0.00 3.20 -1.59 0.86 116.97 118.71 2jr1 h TYR 62 Ca -0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jr1 h TYR 62 Cb 0.25 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2jr1 h TYR 62 CO 0.00 -0.22 0.45 0.00 -1.64 0.00 0.00 178.16 176.76 2jr1 h THR 63 N 0.13 1.21 -0.23 1.81 1.03 -1.86 -0.96 112.91 114.05 2jr1 h THR 63 Ca 0.42 -0.47 -0.14 0.00 -0.01 0.00 0.00 66.41 66.21 2jr1 h THR 63 Cb 0.76 0.15 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2jr1 h THR 63 CO -0.64 0.22 -0.42 0.00 -0.01 0.00 0.00 175.52 174.68 2jr1 h ALA 64 N 1.46 0.36 -0.78 0.00 0.00 -1.61 -3.32 119.26 115.37 2jr1 h ALA 64 Ca 0.27 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jr1 h ALA 64 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2jr1 h ALA 64 CO -0.05 0.48 0.51 2.35 0.00 0.00 0.00 179.25 182.54 2jr1 h TRP 65 N 0.41 0.97 -0.46 0.00 7.01 -0.70 -3.10 115.95 120.09 2jr1 h TRP 65 Ca 0.01 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.06 2jr1 h TRP 65 Cb 1.01 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 2jr1 h TRP 65 CO 0.08 0.60 0.30 0.87 -2.79 0.00 0.00 178.44 177.51 2jr1 h LYS 66 N 1.04 0.54 -0.39 2.65 1.79 -1.31 -1.18 116.57 119.72 2jr1 h LYS 66 Ca 0.29 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.65 2jr1 h LYS 66 Cb -0.09 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2jr1 h LYS 66 CO -0.07 0.36 -0.08 0.00 -1.08 0.00 0.00 179.45 178.57 2jr1 h ALA 67 N 1.73 1.14 -0.07 3.86 0.00 -1.63 -3.34 119.26 120.94 2jr1 h ALA 67 Ca 0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2jr1 h ALA 67 Cb 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jr1 h ALA 67 CO -0.04 0.54 -0.43 0.87 0.00 0.00 0.00 179.25 180.19 2jr1 h LYS 68 N 0.61 0.42 -4.71 0.00 1.57 -1.36 -3.48 116.57 109.62 2jr1 h LYS 68 Ca 0.11 -0.36 -0.31 0.00 -1.87 0.00 0.00 60.65 58.23 2jr1 h LYS 68 Cb 0.50 0.08 -0.22 0.00 0.08 0.00 0.00 32.23 32.67 2jr1 h LYS 68 CO 0.03 1.00 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.15 2jr1 s HIS 69 N -3.59 0.77 0.00 -1.35 3.76 -0.50 -5.13 115.29 109.25 2jr1 s HIS 69 Ca -0.13 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2jr1 s HIS 69 Cb 0.04 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.28 2jr1 s HIS 69 CO 0.80 -0.05 0.52 -0.35 -0.85 0.00 0.00 174.74 174.81 2jr1 n PRO 70 N 1.58 0.00 -2.34 8.40 -0.04 -1.26 -4.19 135.00 137.14 2jr1 n PRO 70 Ca -0.21 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2jr1 n PRO 70 Cb 0.55 -1.08 0.04 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.19 3.05 -0.04 3.54 2.03 -1.26 -4.82 116.55 117.85 2jr1 n ASP 71 Ca 0.00 -2.86 -0.16 0.00 0.52 0.00 0.00 54.79 52.29 2jr1 n ASP 71 Cb 0.00 -0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.92 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 2.30 0.80 -6.68 -0.67 4.81 -1.94 -3.45 114.58 109.75 2jr1 h GLU 72 Ca 0.09 -0.59 -0.50 0.00 -0.13 0.00 0.00 59.36 58.22 2jr1 h GLU 72 Cb 1.40 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 2jr1 h GLU 72 CO 0.43 1.21 0.28 0.21 -0.73 0.00 0.00 179.01 180.41 2jr1 s LYS 73 N -3.88 4.70 0.16 1.92 2.36 -1.26 -4.20 119.74 119.54 2jr1 s LYS 73 Ca -0.11 1.33 -0.30 0.00 -2.55 0.00 0.00 55.97 54.35 2jr1 s LYS 73 Cb 0.09 -3.20 -0.07 0.00 -1.05 0.00 0.00 37.83 33.60 2jr1 s LYS 73 CO 0.89 0.50 1.09 0.12 1.55 0.00 0.00 175.35 179.50 2jr1 s PHE 74 N -1.24 3.61 -1.15 4.03 5.36 -1.26 -4.94 117.98 122.39 2jr1 s PHE 74 Ca 0.40 1.60 -0.19 0.00 -0.96 0.00 0.00 56.93 57.78 2jr1 s PHE 74 Cb -0.24 -3.26 -0.05 0.00 -0.34 0.00 0.00 43.02 39.14 2jr1 s PHE 74 CO 0.29 -0.54 1.96 -0.35 -1.46 0.00 0.00 175.22 175.11 2jr1 n PRO 75 N 2.57 2.20 -3.63 10.12 -0.04 -1.26 -4.94 135.00 140.02 2jr1 n PRO 75 Ca 0.03 -2.48 -0.37 0.00 -0.04 0.00 0.00 63.50 60.64 2jr1 n PRO 75 Cb 0.47 -3.33 -0.07 0.00 -0.04 0.00 0.00 33.50 30.53 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 5.92 3.70 0.29 0.55 0.00 -1.26 -5.12 121.76 125.84 2jr1 s ALA 76 Ca 0.57 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2jr1 s ALA 76 Cb 0.08 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2jr1 s ALA 76 CO 0.07 0.34 0.37 -0.59 0.00 0.00 0.00 175.76 175.95 2jr1 s PHE 77 N -0.36 3.21 -0.46 0.00 -0.71 -1.26 -4.40 117.98 114.01 2jr1 s PHE 77 Ca 0.17 -0.14 -0.29 0.00 -1.04 0.00 0.00 56.93 55.63 2jr1 s PHE 77 Cb -0.14 -1.74 0.03 0.00 -1.21 0.00 0.00 43.02 39.96 2jr1 s PHE 77 CO 0.06 0.25 1.19 -1.25 -1.34 0.00 0.00 175.22 174.13 2jr1 s PRO 78 N -4.04 3.71 0.00 1.99 0.04 -1.26 -4.73 135.00 130.72 2jr1 s PRO 78 Ca 0.39 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2jr1 s PRO 78 Cb -0.09 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2jr1 s PRO 78 CO 0.29 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.34