#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 0.93 -3.19 4.37 -1.24 -2.07 -3.46 115.58 110.91 2jr1 h ASN 2 Ca 0.00 -0.43 -0.58 0.00 0.71 0.00 0.00 56.30 56.00 2jr1 h ASN 2 Cb 0.00 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.75 2jr1 h ASN 2 CO 0.00 1.16 -0.18 0.54 -1.29 0.00 0.00 177.43 177.65 2jr1 s VAL 3 N -4.53 5.00 -0.02 2.57 0.11 -1.26 -5.05 120.40 117.22 2jr1 s VAL 3 Ca -0.12 0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 59.41 2jr1 s VAL 3 Cb 0.11 -3.68 0.02 0.00 -1.53 0.00 0.00 36.38 31.30 2jr1 s VAL 3 CO 0.86 0.26 0.25 -0.54 -3.33 0.00 0.00 175.10 172.60 2jr1 s LYS 4 N -1.95 0.55 1.21 1.54 1.02 -1.26 -5.16 119.74 115.69 2jr1 s LYS 4 Ca 0.35 -0.17 -0.17 0.00 0.02 0.00 0.00 55.97 56.00 2jr1 s LYS 4 Cb -0.14 0.24 0.24 0.00 -0.52 0.00 0.00 37.83 37.65 2jr1 s LYS 4 CO 0.19 -0.14 0.55 1.04 -0.92 0.00 0.00 175.35 176.06 2jr1 n GLN 5 N 1.59 -2.73 -3.32 1.68 1.13 -1.26 -4.96 117.38 109.50 2jr1 n GLN 5 Ca -0.21 -0.79 -0.38 0.00 -1.94 0.00 0.00 57.00 53.68 2jr1 n GLN 5 Cb 0.56 -1.86 -0.06 0.00 0.11 0.00 0.00 30.24 29.00 2jr1 n GLN 5 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2jr1 s LYS 6 N -4.07 4.19 -0.39 -1.09 -0.14 -1.26 -5.02 119.74 111.97 2jr1 s LYS 6 Ca 0.60 0.59 -0.04 0.00 -1.36 0.00 0.00 55.97 55.76 2jr1 s LYS 6 Cb -0.16 -3.30 0.09 0.00 -1.68 0.00 0.00 37.83 32.78 2jr1 s LYS 6 CO 0.59 0.47 0.17 -1.12 -0.76 0.00 0.00 175.35 174.71 2jr1 s SER 7 N -0.48 5.28 -0.49 2.83 0.01 -1.26 -4.97 113.70 114.63 2jr1 s SER 7 Ca 0.28 -1.70 -0.02 0.00 1.31 0.00 0.00 55.95 55.81 2jr1 s SER 7 Cb -0.17 -1.85 0.13 0.00 0.21 0.00 0.00 66.02 64.34 2jr1 s SER 7 CO 0.15 -0.48 0.28 -1.61 0.41 0.00 0.00 173.24 172.00 2jr1 s GLU 8 N 1.25 2.17 -0.02 12.44 2.02 -1.24 -3.12 118.70 132.19 2jr1 s GLU 8 Ca 0.04 -2.13 0.03 0.00 0.02 0.00 0.00 54.97 52.92 2jr1 s GLU 8 Cb -0.22 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 2jr1 s GLU 8 CO -0.02 -1.10 -0.08 0.42 0.02 0.00 0.00 175.26 174.50 2jr1 s ILE 9 N 0.60 3.60 0.59 -1.63 -1.09 -0.17 -5.01 121.20 118.09 2jr1 s ILE 9 Ca 0.12 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 57.70 2jr1 s ILE 9 Cb -0.22 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2jr1 s ILE 9 CO -0.04 0.48 1.05 -0.89 -1.23 0.00 0.00 174.94 174.30 2jr1 s THR 10 N -0.91 3.97 0.06 2.92 2.01 -1.26 -3.21 115.64 119.21 2jr1 s THR 10 Ca 0.15 0.90 -0.31 0.00 0.31 0.00 0.00 61.69 62.74 2jr1 s THR 10 Cb -0.11 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 2jr1 s THR 10 CO 0.05 -0.58 1.61 0.00 -0.69 0.00 0.00 174.62 175.00 2jr1 s ALA 11 N -2.56 3.67 -0.09 7.40 0.00 -1.18 -4.89 121.76 124.11 2jr1 s ALA 11 Ca 0.62 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.71 2jr1 s ALA 11 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2jr1 s ALA 11 CO 0.38 -1.06 0.04 -0.51 0.00 0.00 0.00 175.76 174.61 2jr1 s LEU 12 N 2.55 3.80 0.55 0.00 1.43 -1.26 -4.89 118.68 120.85 2jr1 s LEU 12 Ca 0.72 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.84 2jr1 s LEU 12 Cb -0.38 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2jr1 s LEU 12 CO 0.31 0.38 1.29 0.68 0.23 0.00 0.00 176.35 179.24 2jr1 s VAL 13 N -0.93 2.38 0.31 -1.59 -7.23 -1.26 -4.53 120.40 107.54 2jr1 s VAL 13 Ca 0.14 0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 2jr1 s VAL 13 Cb -0.12 -3.13 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 2jr1 s VAL 13 CO 0.03 -0.02 1.31 -0.75 -0.31 0.00 0.00 175.10 175.36 2jr1 s LYS 14 N -2.98 4.37 -0.21 4.82 2.47 -0.25 -4.93 119.74 123.02 2jr1 s LYS 14 Ca 0.72 2.19 -0.17 0.00 -1.56 0.00 0.00 55.97 57.15 2jr1 s LYS 14 Cb -0.36 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 2jr1 s LYS 14 CO 0.42 -0.19 0.44 -1.83 0.16 0.00 0.00 175.35 174.36 2jr1 s GLU 15 N -1.55 4.16 0.05 4.03 1.03 -1.26 -4.30 118.70 120.86 2jr1 s GLU 15 Ca 0.50 0.27 -0.05 0.00 0.03 0.00 0.00 54.97 55.71 2jr1 s GLU 15 Cb -0.39 -3.56 -0.01 0.00 -0.80 0.00 0.00 34.13 29.36 2jr1 s GLU 15 CO 0.51 -0.12 0.09 0.08 -1.33 0.00 0.00 175.26 174.49 2jr1 s VAL 16 N 1.56 0.15 -0.01 1.83 1.01 -1.26 -5.10 120.40 118.58 2jr1 s VAL 16 Ca 0.20 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 2jr1 s VAL 16 Cb -0.15 -1.11 -0.15 0.00 0.00 0.00 0.00 36.38 34.97 2jr1 s VAL 16 CO 0.09 -0.69 1.08 0.74 0.00 0.00 0.00 175.10 176.32 2jr1 h THR 17 N 3.37 0.51 -4.24 3.92 2.02 -1.97 -3.44 112.91 113.06 2jr1 h THR 17 Ca -0.33 -0.62 -0.50 0.00 0.77 0.00 0.00 66.41 65.72 2jr1 h THR 17 Cb 1.18 0.76 0.09 0.00 -1.74 0.00 0.00 68.15 68.43 2jr1 h THR 17 CO 0.55 0.10 0.37 -2.16 0.37 0.00 0.00 175.52 174.74 2jr1 s PRO 18 N -4.31 2.97 -1.05 6.66 0.04 -1.26 -4.95 135.00 133.10 2jr1 s PRO 18 Ca -0.13 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.88 2jr1 s PRO 18 Cb 0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2jr1 s PRO 18 CO 0.47 -1.09 1.82 -1.25 0.04 0.00 0.00 177.00 176.99 2jr1 s PRO 19 N -4.37 2.92 -0.13 0.56 0.04 -1.26 -4.88 135.00 127.89 2jr1 s PRO 19 Ca 0.63 -0.90 -0.06 0.00 0.04 0.00 0.00 61.00 60.71 2jr1 s PRO 19 Cb -0.17 -5.23 0.05 0.00 0.04 0.00 0.00 34.50 29.20 2jr1 s PRO 19 CO 0.44 -3.17 0.29 0.50 0.04 0.00 0.00 177.00 175.10 2jr1 s ARG 20 N 6.11 0.24 -0.37 4.56 3.52 -1.26 -5.14 118.95 126.61 2jr1 s ARG 20 Ca 0.63 0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 56.82 2jr1 s ARG 20 Cb -0.02 -0.07 0.07 0.00 -1.56 0.00 0.00 34.95 33.37 2jr1 s ARG 20 CO 0.02 -0.19 0.14 0.15 -0.81 0.00 0.00 175.30 174.62 2jr1 s LYS 21 N 1.57 2.42 0.16 5.12 -0.14 -1.26 -4.60 119.74 123.00 2jr1 s LYS 21 Ca -0.07 -1.43 -0.20 0.00 -1.36 0.00 0.00 55.97 52.91 2jr1 s LYS 21 Cb -0.10 -3.51 -0.08 0.00 -1.68 0.00 0.00 37.83 32.46 2jr1 s LYS 21 CO -0.10 -0.83 0.66 0.00 -0.76 0.00 0.00 175.35 174.33 2jr1 s ALA 22 N 1.31 3.50 -1.38 5.17 0.00 -1.26 -4.87 121.76 124.22 2jr1 s ALA 22 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2jr1 s ALA 22 Cb -0.21 -2.74 0.09 0.00 0.00 0.00 0.00 23.12 20.26 2jr1 s ALA 22 CO -0.00 0.36 2.07 -0.35 0.00 0.00 0.00 175.76 177.85 2jr1 n PRO 23 N 1.18 3.18 -2.73 0.00 -0.04 -1.26 -1.09 135.00 134.24 2jr1 n PRO 23 Ca -0.06 -3.00 -0.42 0.00 -0.04 0.00 0.00 63.50 59.98 2jr1 n PRO 23 Cb 0.51 -3.14 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 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 2.22 7.28 -0.67 3.54 0.15 -1.26 -4.99 113.70 119.96 2jr1 s SER 24 Ca 0.44 1.56 -0.27 0.00 0.70 0.00 0.00 55.95 58.38 2jr1 s SER 24 Cb 0.12 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2jr1 s SER 24 CO -0.05 -0.32 1.19 -0.54 1.20 0.00 0.00 173.24 174.72 2jr1 s LYS 25 N 1.40 3.29 -0.18 5.44 3.01 -1.24 -4.51 119.74 126.95 2jr1 s LYS 25 Ca 0.49 -0.17 -0.08 0.00 -1.01 0.00 0.00 55.97 55.20 2jr1 s LYS 25 Cb -0.20 -4.13 -0.04 0.00 -1.01 0.00 0.00 37.83 32.46 2jr1 s LYS 25 CO 0.23 -1.92 0.07 0.00 0.51 0.00 0.00 175.35 174.24 2jr1 s ALA 26 N 5.16 3.42 -0.08 5.17 0.00 -1.26 -1.79 121.76 132.39 2jr1 s ALA 26 Ca 0.35 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2jr1 s ALA 26 Cb -0.09 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2jr1 s ALA 26 CO 0.18 0.18 -0.13 0.15 0.00 0.00 0.00 175.76 176.13 2jr1 s LYS 27 N 0.37 1.90 -0.37 0.00 3.01 -1.16 -3.09 119.74 120.39 2jr1 s LYS 27 Ca 0.03 -0.46 -0.07 0.00 -1.01 0.00 0.00 55.97 54.46 2jr1 s LYS 27 Cb -0.12 -1.61 0.06 0.00 -1.01 0.00 0.00 37.83 35.14 2jr1 s LYS 27 CO -0.00 -0.02 0.17 1.03 0.51 0.00 0.00 175.35 177.03 2jr1 s ARG 28 N 0.86 2.58 -0.06 1.68 0.52 -1.20 -2.51 118.95 120.82 2jr1 s ARG 28 Ca -0.10 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 53.77 2jr1 s ARG 28 Cb -0.15 -3.59 0.04 0.00 0.52 0.00 0.00 34.95 31.77 2jr1 s ARG 28 CO 0.01 -0.79 0.12 -1.21 0.02 0.00 0.00 175.30 173.45 2jr1 s GLU 29 N 1.40 0.06 -0.15 3.54 2.02 -1.09 -1.00 118.70 123.48 2jr1 s GLU 29 Ca 0.01 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.15 2jr1 s GLU 29 Cb -0.21 -0.20 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 2jr1 s GLU 29 CO 0.02 -0.17 0.57 0.00 0.02 0.00 0.00 175.26 175.69 2jr1 s ALA 30 N 1.22 3.49 0.00 5.21 0.00 -1.20 -2.75 121.76 127.73 2jr1 s ALA 30 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2jr1 s ALA 30 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2jr1 s ALA 30 CO -0.05 -0.28 0.00 -0.35 0.00 0.00 0.00 175.76 175.08 2jr1 n PRO 31 N 4.34 0.00 -4.25 0.00 -0.04 -1.26 -4.81 135.00 128.98 2jr1 n PRO 31 Ca -0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.08 2jr1 n PRO 31 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 2.38 4.37 -0.78 0.52 -4.36 -1.26 -4.72 121.20 117.34 2jr1 s ILE 32 Ca 0.00 -0.20 0.23 0.00 -0.26 0.00 0.00 60.65 60.42 2jr1 s ILE 32 Cb 0.00 -2.91 0.23 0.00 1.25 0.00 0.00 42.46 41.03 2jr1 s ILE 32 CO 0.00 0.52 1.72 1.17 0.24 0.00 0.00 174.94 178.59 2jr1 n LYS 33 N 3.04 0.13 -0.15 0.37 3.00 -1.26 -2.42 118.16 120.87 2jr1 n LYS 33 Ca -0.18 0.23 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 2jr1 n LYS 33 Cb 0.53 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.87 2jr1 n LYS 33 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2jr1 h TYR 34 N 0.00 0.64 0.02 5.64 3.20 -2.00 -3.38 116.97 121.09 2jr1 h TYR 34 Ca 0.00 -0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.59 2jr1 h TYR 34 Cb 0.47 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2jr1 h TYR 34 CO 0.00 0.53 -1.31 2.35 -1.64 0.00 0.00 178.16 178.10 2jr1 h TRP 35 N 0.57 0.08 -3.28 -3.82 2.91 -2.01 -3.48 115.95 106.93 2jr1 h TRP 35 Ca 0.15 -0.06 -0.64 0.00 1.13 0.00 0.00 58.89 59.47 2jr1 h TRP 35 Cb 0.14 -0.00 -0.17 0.00 -0.51 0.00 0.00 29.16 28.62 2jr1 h TRP 35 CO -0.01 1.51 -0.61 -0.51 -1.03 0.00 0.00 178.44 177.80 2jr1 s LEU 36 N -7.77 3.59 0.27 0.65 1.43 -1.02 -5.04 118.68 110.79 2jr1 s LEU 36 Ca -0.27 0.04 0.24 0.00 -1.03 0.00 0.00 54.13 53.11 2jr1 s LEU 36 Cb 0.05 -1.87 0.99 0.00 0.03 0.00 0.00 46.19 45.39 2jr1 s LEU 36 CO 0.63 0.23 1.72 -0.81 0.23 0.00 0.00 176.35 178.35 2jr1 n PRO 37 N 3.17 0.21 -3.92 1.29 -0.04 -1.26 -4.19 135.00 130.26 2jr1 n PRO 37 Ca -0.17 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.41 2jr1 n PRO 37 Cb 0.53 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 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 -3.32 3.06 -0.65 0.54 2.46 -1.26 -5.06 115.29 111.06 2jr1 s HIS 38 Ca 0.04 -2.72 -0.27 0.00 0.47 0.00 0.00 55.06 52.58 2jr1 s HIS 38 Cb 0.09 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.97 2jr1 s HIS 38 CO 0.40 -0.88 1.74 -1.54 -2.47 0.00 0.00 174.74 171.99 2jr1 s SER 39 N 0.77 5.46 0.00 9.88 1.04 -1.26 -4.49 113.70 125.09 2jr1 s SER 39 Ca 0.13 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2jr1 s SER 39 Cb -0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2jr1 s SER 39 CO -0.09 -2.27 0.00 0.61 0.98 0.00 0.00 173.24 172.47 2jr1 n GLY 40 N 5.67 0.20 3.27 7.32 0.00 -1.26 -4.75 105.19 115.64 2jr1 n GLY 40 Ca 0.17 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 2.42 -0.27 4.61 0.00 -1.11 -4.91 121.76 122.51 2jr1 s ALA 41 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 2jr1 s ALA 41 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2jr1 s ALA 41 CO 0.00 0.12 0.36 -0.08 0.00 0.00 0.00 175.76 176.16 2jr1 s THR 42 N 0.58 5.19 -0.32 0.00 -1.32 -1.26 -2.66 115.64 115.84 2jr1 s THR 42 Ca -0.10 0.54 0.01 0.00 -1.21 0.00 0.00 61.69 60.93 2jr1 s THR 42 Cb -0.16 -3.69 0.08 0.00 -1.51 0.00 0.00 72.50 67.22 2jr1 s THR 42 CO 0.03 0.17 0.02 0.86 -2.21 0.00 0.00 174.62 173.49 2jr1 s TRP 43 N 2.03 3.48 -0.71 9.09 -0.11 -1.04 -5.02 118.94 126.66 2jr1 s TRP 43 Ca 0.14 -2.45 -0.15 0.00 1.22 0.00 0.00 56.10 54.86 2jr1 s TRP 43 Cb -0.16 -2.52 0.18 0.00 -1.50 0.00 0.00 33.47 29.48 2jr1 s TRP 43 CO 0.10 -0.90 0.66 -1.12 -4.62 0.00 0.00 176.95 171.07 2jr1 s SER 44 N 1.20 6.53 0.00 5.86 0.01 -1.26 -3.00 113.70 123.05 2jr1 s SER 44 Ca 0.01 -2.33 0.00 0.00 1.31 0.00 0.00 55.95 54.95 2jr1 s SER 44 Cb -0.20 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jr1 s SER 44 CO -0.05 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2jr1 n GLY 45 N 4.49 -1.41 3.71 3.44 0.00 -0.74 -4.86 105.19 109.82 2jr1 n GLY 45 Ca 0.03 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.06 1.61 3.00 -1.26 -3.65 118.95 122.06 2jr1 s ARG 46 Ca 0.00 1.61 -0.22 0.00 -1.00 0.00 0.00 55.73 56.11 2jr1 s ARG 46 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 34.95 31.54 2jr1 s ARG 46 CO 0.00 -0.20 1.67 0.20 0.00 0.00 0.00 175.30 176.97 2jr1 s GLY 47 N 1.09 0.95 -0.15 8.12 0.00 -1.25 -4.81 107.32 111.27 2jr1 s GLY 47 Ca 0.55 -2.18 -0.29 0.00 0.00 0.00 0.00 44.72 42.80 2jr1 s GLY 47 CO 0.27 2.98 1.00 -1.59 0.00 0.00 0.00 173.10 175.77 2jr1 s LYS 48 N 5.50 4.36 -0.27 2.90 0.00 -1.26 -5.04 119.74 125.93 2jr1 s LYS 48 Ca 0.56 1.35 0.02 0.00 0.00 0.00 0.00 55.97 57.90 2jr1 s LYS 48 Cb -0.01 -3.58 0.07 0.00 0.00 0.00 0.00 37.83 34.31 2jr1 s LYS 48 CO -0.02 -0.42 -0.05 0.42 0.00 0.00 0.00 175.35 175.28 2jr1 s ILE 49 N 2.41 1.91 0.00 3.79 1.09 -1.26 -4.68 121.20 124.47 2jr1 s ILE 49 Ca 0.46 -1.61 -0.05 0.00 -1.10 0.00 0.00 60.65 58.35 2jr1 s ILE 49 Cb -0.17 -2.16 -0.24 0.00 -1.06 0.00 0.00 42.46 38.83 2jr1 s ILE 49 CO 0.14 -0.18 3.35 -0.81 -0.10 0.00 0.00 174.94 177.33 2jr1 n PRO 50 N 4.50 1.82 0.19 2.79 -0.04 -1.26 -4.57 135.00 138.44 2jr1 n PRO 50 Ca -0.10 -0.87 -0.13 0.00 -0.04 0.00 0.00 63.50 62.36 2jr1 n PRO 50 Cb 0.43 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 2jr1 n PRO 50 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jr1 h LYS 51 N 2.96 -0.49 0.00 0.54 1.63 -1.98 -1.49 116.57 117.74 2jr1 h LYS 51 Ca 0.17 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 2jr1 h LYS 51 Cb 1.41 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.14 2jr1 h LYS 51 CO 0.22 -0.17 -0.14 -1.00 -3.45 0.00 0.00 179.45 174.91 2jr1 h PRO 52 N -0.86 0.00 0.41 1.90 0.13 -1.97 -1.39 132.00 130.21 2jr1 h PRO 52 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2jr1 h PRO 52 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2jr1 h PRO 52 CO 0.08 0.14 -0.20 0.35 -0.23 0.00 0.00 178.00 178.15 2jr1 h PHE 53 N 0.00 -0.51 0.00 1.56 3.57 -1.90 -2.63 116.94 117.02 2jr1 h PHE 53 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2jr1 h PHE 53 Cb 0.35 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2jr1 h PHE 53 CO 0.00 -0.32 -0.06 1.49 -2.23 0.00 0.00 178.31 177.19 2jr1 h GLU 54 N -0.89 0.00 0.15 1.11 4.81 -1.31 0.47 114.58 118.92 2jr1 h GLU 54 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2jr1 h GLU 54 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2jr1 h GLU 54 CO 0.09 0.06 -0.07 0.00 -0.73 0.00 0.00 179.01 178.36 2jr1 h ALA 55 N 1.94 -0.20 -0.59 2.92 0.00 -1.39 -2.60 119.26 119.33 2jr1 h ALA 55 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2jr1 h ALA 55 Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jr1 h ALA 55 CO 0.01 -0.35 0.03 2.35 0.00 0.00 0.00 179.25 181.28 2jr1 h TRP 56 N -0.73 1.07 0.00 0.00 7.01 -1.30 0.14 115.95 122.15 2jr1 h TRP 56 Ca -0.02 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 60.81 2jr1 h TRP 56 Cb 0.52 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2jr1 h TRP 56 CO 0.07 0.94 0.00 -0.89 -2.79 0.00 0.00 178.44 175.78 2jr1 n ILE 57 N -4.20 0.19 -0.02 2.65 2.08 0.14 -3.24 119.36 116.97 2jr1 n ILE 57 Ca 0.03 0.05 -0.01 0.00 0.56 0.00 0.00 62.75 63.38 2jr1 n ILE 57 Cb 0.32 -0.95 -0.04 0.00 -0.75 0.00 0.00 39.64 38.22 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 -0.65 -0.24 0.25 7.39 0.00 -0.55 -3.52 105.19 107.86 2jr1 n GLY 58 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.50 0.00 2.61 2.02 -0.74 -3.07 112.91 114.23 2jr1 h THR 59 Ca -0.10 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2jr1 h THR 59 Cb 1.00 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2jr1 h THR 59 CO 0.01 0.03 -0.91 0.00 0.37 0.00 0.00 175.52 175.02 2jr1 n ALA 60 N -2.74 1.91 0.28 6.16 0.00 -1.26 -4.87 120.51 119.98 2jr1 n ALA 60 Ca 0.11 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.72 2jr1 n ALA 60 Cb 0.40 0.21 0.74 0.00 0.00 0.00 0.00 19.45 20.80 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 1.05 -0.77 0.00 0.00 -1.76 -3.31 119.26 114.46 2jr1 h ALA 61 Ca 0.00 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2jr1 h ALA 61 Cb 0.85 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2jr1 h ALA 61 CO 0.00 0.07 0.15 -0.92 0.00 0.00 0.00 179.25 178.55 2jr1 h TYR 62 N 0.00 0.22 -0.86 0.00 3.20 -1.58 0.92 116.97 118.87 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 0.45 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2jr1 h TYR 62 CO 0.00 -0.15 0.54 0.00 -1.64 0.00 0.00 178.16 176.91 2jr1 h THR 63 N 0.22 1.23 -0.08 1.81 1.03 -1.86 0.51 112.91 115.77 2jr1 h THR 63 Ca 0.44 -0.48 -0.03 0.00 -0.01 0.00 0.00 66.41 66.33 2jr1 h THR 63 Cb 0.79 -0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.87 2jr1 h THR 63 CO -0.57 0.24 -0.09 0.00 -0.01 0.00 0.00 175.52 175.09 2jr1 h ALA 64 N 1.41 0.12 -0.96 0.00 0.00 -1.60 -3.10 119.26 115.13 2jr1 h ALA 64 Ca 0.31 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2jr1 h ALA 64 Cb -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2jr1 h ALA 64 CO -0.06 -0.05 0.62 2.35 0.00 0.00 0.00 179.25 182.10 2jr1 h TRP 65 N -0.23 1.08 -0.42 0.00 7.01 -0.79 -2.46 115.95 120.14 2jr1 h TRP 65 Ca 0.01 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 2jr1 h TRP 65 Cb 0.60 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 2jr1 h TRP 65 CO 0.09 0.47 -0.02 0.87 -2.79 0.00 0.00 178.44 177.06 2jr1 h LYS 66 N 0.98 0.70 -0.75 2.65 1.79 -0.99 0.24 116.57 121.20 2jr1 h LYS 66 Ca 0.46 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.70 2jr1 h LYS 66 Cb 0.42 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2jr1 h LYS 66 CO -0.22 0.73 0.29 0.00 -1.08 0.00 0.00 179.45 179.18 2jr1 h ALA 67 N 1.32 1.10 0.00 3.86 0.00 -1.42 -3.33 119.26 120.79 2jr1 h ALA 67 Ca 0.13 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2jr1 h ALA 67 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jr1 h ALA 67 CO 0.02 0.64 -0.65 0.87 0.00 0.00 0.00 179.25 180.13 2jr1 h LYS 68 N 1.09 0.00 -3.13 0.00 1.57 -1.27 -3.48 116.57 111.35 2jr1 h LYS 68 Ca 0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 2jr1 h LYS 68 Cb 0.22 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.33 2jr1 h LYS 68 CO -0.02 0.65 -0.32 -1.01 -0.57 0.00 0.00 179.45 178.19 2jr1 s HIS 69 N -2.99 -0.14 0.00 -1.35 3.76 0.06 -5.09 115.29 109.54 2jr1 s HIS 69 Ca 0.02 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2jr1 s HIS 69 Cb 0.09 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.85 2jr1 s HIS 69 CO 0.76 -0.37 0.28 -0.35 -0.85 0.00 0.00 174.74 174.21 2jr1 n PRO 70 N 1.29 0.00 -3.05 8.40 -0.04 -1.26 -4.15 135.00 136.19 2jr1 n PRO 70 Ca -0.22 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 70 Cb 0.56 -0.81 -0.02 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 -0.65 1.48 0.09 3.54 2.03 -1.26 -4.83 116.55 116.96 2jr1 n ASP 71 Ca 0.00 -3.06 -0.13 0.00 0.52 0.00 0.00 54.79 52.11 2jr1 n ASP 71 Cb 0.00 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 39.68 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 0.21 -6.43 -0.67 4.57 -1.95 -3.45 114.58 109.84 2jr1 h GLU 72 Ca 0.08 -0.35 -0.53 0.00 -1.18 0.00 0.00 59.36 57.37 2jr1 h GLU 72 Cb 0.95 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2jr1 h GLU 72 CO 0.55 1.15 0.17 0.21 -1.18 0.00 0.00 179.01 179.92 2jr1 s LYS 73 N -2.72 4.54 0.27 1.92 2.20 -1.26 -4.52 119.74 120.17 2jr1 s LYS 73 Ca -0.03 1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 2jr1 s LYS 73 Cb 0.08 -3.30 -0.11 0.00 -1.51 0.00 0.00 37.83 32.98 2jr1 s LYS 73 CO 0.87 0.46 1.61 0.12 -0.36 0.00 0.00 175.35 178.04 2jr1 s PHE 74 N -0.71 2.80 -1.21 4.03 5.36 -1.26 -4.89 117.98 122.10 2jr1 s PHE 74 Ca 0.37 0.70 -0.20 0.00 -0.96 0.00 0.00 56.93 56.84 2jr1 s PHE 74 Cb -0.22 -4.07 -0.02 0.00 -0.34 0.00 0.00 43.02 38.37 2jr1 s PHE 74 CO 0.25 -3.69 1.89 -0.35 -1.46 0.00 0.00 175.22 171.85 2jr1 n PRO 75 N 2.58 2.34 -3.55 10.12 -0.04 -1.26 -4.95 135.00 140.23 2jr1 n PRO 75 Ca 0.10 -2.73 -0.38 0.00 -0.04 0.00 0.00 63.50 60.45 2jr1 n PRO 75 Cb 0.37 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 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 6.92 3.69 0.27 0.55 0.00 -1.26 -5.11 121.76 126.82 2jr1 s ALA 76 Ca 0.59 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.32 2jr1 s ALA 76 Cb 0.04 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2jr1 s ALA 76 CO 0.09 0.39 0.09 -0.59 0.00 0.00 0.00 175.76 175.74 2jr1 s PHE 77 N -0.65 2.85 -0.72 0.00 -0.71 -1.26 -4.36 117.98 113.13 2jr1 s PHE 77 Ca 0.21 -0.20 -0.27 0.00 -1.04 0.00 0.00 56.93 55.64 2jr1 s PHE 77 Cb -0.15 -1.33 0.02 0.00 -1.21 0.00 0.00 43.02 40.35 2jr1 s PHE 77 CO 0.10 0.55 1.44 -1.25 -1.34 0.00 0.00 175.22 174.72 2jr1 s PRO 78 N -3.76 3.06 0.00 1.99 0.04 -1.26 -4.74 135.00 130.32 2jr1 s PRO 78 Ca 0.33 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2jr1 s PRO 78 Cb -0.07 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2jr1 s PRO 78 CO 0.22 -2.32 0.43 0.41 0.04 0.00 0.00 177.00 175.78