#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 0.23 -3.50 4.37 -1.24 -2.07 -3.47 115.58 109.90 2jr1 h ASN 2 Ca 0.00 -0.65 -0.49 0.00 0.71 0.00 0.00 56.30 55.87 2jr1 h ASN 2 Cb 0.00 -0.07 0.02 0.00 0.73 0.00 0.00 38.32 39.00 2jr1 h ASN 2 CO 0.00 0.84 0.06 0.54 -1.29 0.00 0.00 177.43 177.58 2jr1 s VAL 3 N -3.64 4.91 -0.03 2.57 0.11 -1.26 -5.03 120.40 118.02 2jr1 s VAL 3 Ca -0.15 0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 2jr1 s VAL 3 Cb 0.02 -3.81 0.05 0.00 -1.53 0.00 0.00 36.38 31.11 2jr1 s VAL 3 CO 0.73 -0.67 0.55 -0.75 -3.33 0.00 0.00 175.10 171.64 2jr1 s LYS 4 N -4.31 0.93 1.25 1.54 2.20 -1.26 -5.19 119.74 114.91 2jr1 s LYS 4 Ca 0.47 0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 2jr1 s LYS 4 Cb -0.10 0.43 0.30 0.00 -1.51 0.00 0.00 37.83 36.95 2jr1 s LYS 4 CO 0.38 -0.28 0.83 1.04 -0.36 0.00 0.00 175.35 176.96 2jr1 n GLN 5 N 1.01 -3.04 -2.49 4.03 3.00 -1.26 -4.93 117.38 113.70 2jr1 n GLN 5 Ca -0.20 -0.87 -0.42 0.00 -0.01 0.00 0.00 57.00 55.50 2jr1 n GLN 5 Cb 0.57 -2.02 -0.03 0.00 0.00 0.00 0.00 30.24 28.76 2jr1 n GLN 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jr1 s LYS 6 N -4.38 4.41 -0.31 -1.09 3.01 -1.26 -4.94 119.74 115.18 2jr1 s LYS 6 Ca 0.66 1.66 0.02 0.00 -1.01 0.00 0.00 55.97 57.29 2jr1 s LYS 6 Cb -0.21 -3.48 0.08 0.00 -1.01 0.00 0.00 37.83 33.22 2jr1 s LYS 6 CO 0.63 -0.33 0.00 -1.12 0.51 0.00 0.00 175.35 175.05 2jr1 s SER 7 N 1.26 4.74 -0.44 2.83 0.01 -1.26 -4.98 113.70 115.86 2jr1 s SER 7 Ca 0.56 -1.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.03 2jr1 s SER 7 Cb -0.25 -1.64 0.11 0.00 0.21 0.00 0.00 66.02 64.45 2jr1 s SER 7 CO 0.25 -0.31 0.28 -1.61 0.41 0.00 0.00 173.24 172.25 2jr1 s GLU 8 N 1.06 2.26 0.03 12.44 2.02 -1.25 -3.48 118.70 131.78 2jr1 s GLU 8 Ca 0.01 -1.78 0.08 0.00 0.02 0.00 0.00 54.97 53.30 2jr1 s GLU 8 Cb -0.20 -3.76 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 2jr1 s GLU 8 CO -0.05 -1.13 -0.22 0.42 0.02 0.00 0.00 175.26 174.30 2jr1 s ILE 9 N 1.26 2.47 1.05 -1.63 1.09 -0.62 -5.01 121.20 119.82 2jr1 s ILE 9 Ca 0.07 -1.23 -0.12 0.00 -1.10 0.00 0.00 60.65 58.27 2jr1 s ILE 9 Cb -0.25 -1.99 0.22 0.00 -1.06 0.00 0.00 42.46 39.39 2jr1 s ILE 9 CO -0.02 0.39 1.07 0.28 -0.10 0.00 0.00 174.94 176.56 2jr1 s THR 10 N -0.83 2.14 -0.00 2.92 -1.32 -1.26 -2.70 115.64 114.58 2jr1 s THR 10 Ca 0.13 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 2jr1 s THR 10 Cb -0.10 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 2jr1 s THR 10 CO 0.03 -0.06 1.40 0.00 -2.21 0.00 0.00 174.62 173.78 2jr1 s ALA 11 N -2.61 3.58 0.11 11.08 0.00 -1.12 -4.71 121.76 128.10 2jr1 s ALA 11 Ca 0.67 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.56 2jr1 s ALA 11 Cb -0.23 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2jr1 s ALA 11 CO 0.61 -0.92 0.02 -0.51 0.00 0.00 0.00 175.76 174.96 2jr1 s LEU 12 N 2.42 3.49 0.47 0.00 1.02 -1.26 -4.91 118.68 119.90 2jr1 s LEU 12 Ca 0.64 -0.20 -0.24 0.00 0.02 0.00 0.00 54.13 54.34 2jr1 s LEU 12 Cb -0.31 -2.19 -0.07 0.00 0.02 0.00 0.00 46.19 43.63 2jr1 s LEU 12 CO 0.26 0.15 1.37 0.68 0.02 0.00 0.00 176.35 178.83 2jr1 s VAL 13 N -1.44 2.22 0.56 -1.59 -7.23 -1.26 -4.52 120.40 107.14 2jr1 s VAL 13 Ca 0.27 0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.43 2jr1 s VAL 13 Cb -0.11 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.68 2jr1 s VAL 13 CO 0.19 0.02 1.15 -0.75 -0.31 0.00 0.00 175.10 175.40 2jr1 s LYS 14 N -2.57 3.22 -0.13 4.82 2.20 -1.22 -4.98 119.74 121.09 2jr1 s LYS 14 Ca 0.64 1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 57.61 2jr1 s LYS 14 Cb -0.41 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2jr1 s LYS 14 CO 0.51 -0.97 1.62 -1.21 -0.36 0.00 0.00 175.35 174.95 2jr1 s GLU 15 N -3.34 4.02 -0.04 4.03 8.01 -1.26 -4.70 118.70 125.41 2jr1 s GLU 15 Ca 0.74 1.95 0.01 0.00 0.01 0.00 0.00 54.97 57.68 2jr1 s GLU 15 Cb -0.25 -3.99 0.02 0.00 -4.31 0.00 0.00 34.13 25.59 2jr1 s GLU 15 CO 0.29 -1.03 -0.03 0.08 0.01 0.00 0.00 175.26 174.58 2jr1 s VAL 16 N 4.52 0.46 -0.04 2.63 1.01 -1.26 -5.09 120.40 122.62 2jr1 s VAL 16 Ca 0.72 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 2jr1 s VAL 16 Cb -0.29 -0.50 -0.16 0.00 0.00 0.00 0.00 36.38 35.43 2jr1 s VAL 16 CO 0.28 0.21 0.95 0.74 0.00 0.00 0.00 175.10 177.28 2jr1 h THR 17 N 6.16 0.80 -4.17 3.92 2.02 -1.95 -3.46 112.91 116.23 2jr1 h THR 17 Ca -0.39 -1.00 -0.49 0.00 0.77 0.00 0.00 66.41 65.30 2jr1 h THR 17 Cb 1.15 1.30 0.14 0.00 -1.74 0.00 0.00 68.15 69.00 2jr1 h THR 17 CO 0.47 0.19 0.28 -2.16 0.37 0.00 0.00 175.52 174.67 2jr1 s PRO 18 N -3.70 1.68 -1.23 6.66 0.04 -1.26 -4.93 135.00 132.26 2jr1 s PRO 18 Ca -0.13 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 61.62 2jr1 s PRO 18 Cb 0.01 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2jr1 s PRO 18 CO 0.49 -1.97 1.87 -0.35 0.04 0.00 0.00 177.00 177.07 2jr1 n PRO 19 N -3.71 2.46 -3.65 0.56 -0.04 -1.26 -4.85 135.00 124.50 2jr1 n PRO 19 Ca 0.08 -2.82 -0.11 0.00 -0.04 0.00 0.00 63.50 60.61 2jr1 n PRO 19 Cb 0.55 -3.52 -0.08 0.00 -0.04 0.00 0.00 33.50 30.41 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 5.00 0.72 -0.14 0.54 3.00 -1.26 -5.17 118.95 121.64 2jr1 s ARG 20 Ca 0.59 1.01 -0.01 0.00 -1.00 0.00 0.00 55.73 56.31 2jr1 s ARG 20 Cb 0.04 0.27 -0.02 0.00 0.00 0.00 0.00 34.95 35.24 2jr1 s ARG 20 CO 0.09 -0.12 -0.10 0.15 0.00 0.00 0.00 175.30 175.32 2jr1 s LYS 21 N 0.85 3.49 -0.18 5.12 -0.14 -1.26 -4.78 119.74 122.84 2jr1 s LYS 21 Ca -0.04 -0.63 -0.08 0.00 -1.36 0.00 0.00 55.97 53.87 2jr1 s LYS 21 Cb -0.05 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 2jr1 s LYS 21 CO -0.07 0.22 0.08 0.00 -0.76 0.00 0.00 175.35 174.82 2jr1 s ALA 22 N 0.36 3.48 -1.17 5.17 0.00 -1.26 -5.06 121.76 123.28 2jr1 s ALA 22 Ca -0.08 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 2jr1 s ALA 22 Cb -0.15 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.07 2jr1 s ALA 22 CO 0.05 0.22 1.64 -1.25 0.00 0.00 0.00 175.76 176.42 2jr1 s PRO 23 N 0.23 3.73 -0.10 0.00 0.04 -1.26 -3.43 135.00 134.20 2jr1 s PRO 23 Ca 0.05 -1.57 -0.24 0.00 0.04 0.00 0.00 61.00 59.29 2jr1 s PRO 23 Cb -0.12 -5.44 -0.03 0.00 0.04 0.00 0.00 34.50 28.95 2jr1 s PRO 23 CO -0.00 -2.34 0.74 0.45 0.04 0.00 0.00 177.00 175.89 2jr1 s SER 24 N 4.73 6.96 -0.69 6.66 0.15 -1.26 -5.02 113.70 125.23 2jr1 s SER 24 Ca 0.52 1.16 -0.27 0.00 0.70 0.00 0.00 55.95 58.06 2jr1 s SER 24 Cb 0.02 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2jr1 s SER 24 CO 0.01 -0.21 1.42 -1.59 1.20 0.00 0.00 173.24 174.07 2jr1 s LYS 25 N 1.28 3.08 -0.16 5.44 -2.85 -1.26 -4.53 119.74 120.75 2jr1 s LYS 25 Ca 0.37 0.03 -0.02 0.00 -1.00 0.00 0.00 55.97 55.35 2jr1 s LYS 25 Cb -0.17 -4.22 -0.02 0.00 -2.06 0.00 0.00 37.83 31.36 2jr1 s LYS 25 CO 0.16 -2.25 -0.09 0.00 0.10 0.00 0.00 175.35 173.27 2jr1 s ALA 26 N 6.49 2.75 -0.16 0.59 0.00 -1.26 -2.44 121.76 127.73 2jr1 s ALA 26 Ca 0.44 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2jr1 s ALA 26 Cb -0.09 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.66 2jr1 s ALA 26 CO 0.17 0.06 -0.03 0.15 0.00 0.00 0.00 175.76 176.11 2jr1 s LYS 27 N 0.65 1.24 -0.45 0.00 3.01 -1.22 -2.77 119.74 120.20 2jr1 s LYS 27 Ca -0.05 -0.46 -0.17 0.00 -1.01 0.00 0.00 55.97 54.28 2jr1 s LYS 27 Cb -0.15 -1.94 0.04 0.00 -1.01 0.00 0.00 37.83 34.76 2jr1 s LYS 27 CO 0.02 -0.46 0.44 1.03 0.51 0.00 0.00 175.35 176.90 2jr1 s ARG 28 N 1.69 3.05 -0.08 1.68 0.52 -1.10 -3.94 118.95 120.77 2jr1 s ARG 28 Ca 0.01 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 2jr1 s ARG 28 Cb -0.15 -4.03 0.04 0.00 0.52 0.00 0.00 34.95 31.33 2jr1 s ARG 28 CO -0.07 -0.95 0.18 -1.21 0.02 0.00 0.00 175.30 173.27 2jr1 s GLU 29 N 2.05 0.13 -0.34 3.54 2.02 -1.23 -1.58 118.70 123.29 2jr1 s GLU 29 Ca 0.10 0.45 -0.19 0.00 0.02 0.00 0.00 54.97 55.35 2jr1 s GLU 29 Cb -0.19 -0.16 -0.00 0.00 0.10 0.00 0.00 34.13 33.87 2jr1 s GLU 29 CO 0.11 -0.18 0.55 0.00 0.02 0.00 0.00 175.26 175.77 2jr1 s ALA 30 N 1.30 3.48 0.00 5.21 0.00 -1.23 -3.46 121.76 127.06 2jr1 s ALA 30 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2jr1 s ALA 30 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2jr1 s ALA 30 CO -0.07 -1.20 0.00 -0.35 0.00 0.00 0.00 175.76 174.14 2jr1 n PRO 31 N 5.81 0.00 -4.15 0.00 -0.04 -1.26 -4.74 135.00 130.62 2jr1 n PRO 31 Ca -0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 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 0.02 0.46 -0.80 0.52 -4.36 -1.26 -4.69 121.20 111.10 2jr1 s ILE 32 Ca 0.00 -0.15 0.23 0.00 -0.26 0.00 0.00 60.65 60.48 2jr1 s ILE 32 Cb 0.00 -0.46 0.23 0.00 1.25 0.00 0.00 42.46 43.48 2jr1 s ILE 32 CO 0.00 0.18 1.73 1.17 0.24 0.00 0.00 174.94 178.25 2jr1 n LYS 33 N 3.61 0.12 -0.05 0.37 3.00 -1.26 -2.92 118.16 121.03 2jr1 n LYS 33 Ca -0.21 0.22 -0.13 0.00 -0.00 0.00 0.00 58.31 58.19 2jr1 n LYS 33 Cb 0.53 -1.67 -0.07 0.00 0.00 0.00 0.00 35.03 33.82 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 0.41 0.08 5.64 3.20 -1.99 -3.37 116.97 120.94 2jr1 h TYR 34 Ca 0.00 -0.13 -0.28 0.00 3.14 0.00 0.00 58.73 61.46 2jr1 h TYR 34 Cb 0.47 -0.08 0.03 0.00 1.54 0.00 0.00 36.73 38.68 2jr1 h TYR 34 CO 0.00 0.75 -1.15 2.35 -1.64 0.00 0.00 178.16 178.48 2jr1 h TRP 35 N -0.06 0.99 -3.81 -3.82 7.01 -2.02 -3.46 115.95 110.79 2jr1 h TRP 35 Ca 0.02 -0.60 -0.68 0.00 2.11 0.00 0.00 58.89 59.73 2jr1 h TRP 35 Cb 0.69 -0.09 -0.30 0.00 -2.10 0.00 0.00 29.16 27.37 2jr1 h TRP 35 CO 0.09 1.44 -0.85 -0.51 -2.79 0.00 0.00 178.44 175.82 2jr1 s LEU 36 N -7.97 2.28 0.22 0.65 1.43 -1.15 -5.06 118.68 109.08 2jr1 s LEU 36 Ca -0.10 -0.44 0.20 0.00 -1.03 0.00 0.00 54.13 52.76 2jr1 s LEU 36 Cb 0.06 -1.45 0.90 0.00 0.03 0.00 0.00 46.19 45.73 2jr1 s LEU 36 CO 0.92 0.23 1.62 -0.81 0.23 0.00 0.00 176.35 178.54 2jr1 n PRO 37 N 3.03 0.14 -3.87 1.29 -0.04 -1.26 -4.27 135.00 130.02 2jr1 n PRO 37 Ca -0.18 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 2jr1 n PRO 37 Cb 0.52 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 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 -3.30 2.55 -0.57 0.54 2.46 -1.26 -5.05 115.29 110.67 2jr1 s HIS 38 Ca 0.03 -2.17 -0.28 0.00 0.47 0.00 0.00 55.06 53.11 2jr1 s HIS 38 Cb 0.08 -2.10 0.02 0.00 -0.13 0.00 0.00 32.58 30.45 2jr1 s HIS 38 CO 0.31 -0.88 1.37 -1.54 -2.47 0.00 0.00 174.74 171.52 2jr1 s SER 39 N 1.33 6.20 0.00 9.88 1.04 -1.26 -4.58 113.70 126.30 2jr1 s SER 39 Ca 0.07 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2jr1 s SER 39 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2jr1 s SER 39 CO -0.15 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.02 2jr1 n GLY 40 N 5.22 0.74 3.26 7.32 0.00 -1.26 -4.76 105.19 115.71 2jr1 n GLY 40 Ca 0.11 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 2.17 -0.19 4.61 0.00 -1.22 -4.95 121.76 122.18 2jr1 s ALA 41 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 2jr1 s ALA 41 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2jr1 s ALA 41 CO 0.00 0.41 0.63 -0.08 0.00 0.00 0.00 175.76 176.71 2jr1 s THR 42 N -0.12 5.03 -0.26 0.00 -1.32 -1.26 -3.47 115.64 114.24 2jr1 s THR 42 Ca -0.05 1.19 -0.01 0.00 -1.21 0.00 0.00 61.69 61.61 2jr1 s THR 42 Cb -0.14 -3.94 0.08 0.00 -1.51 0.00 0.00 72.50 66.99 2jr1 s THR 42 CO 0.04 0.13 0.05 0.86 -2.21 0.00 0.00 174.62 173.49 2jr1 s TRP 43 N 1.79 1.75 -0.57 9.09 -0.11 -1.25 -5.05 118.94 124.59 2jr1 s TRP 43 Ca 0.29 -1.55 -0.12 0.00 1.22 0.00 0.00 56.10 55.94 2jr1 s TRP 43 Cb -0.16 -1.55 0.14 0.00 -1.50 0.00 0.00 33.47 30.41 2jr1 s TRP 43 CO 0.11 -0.78 0.47 -1.54 -4.62 0.00 0.00 176.95 170.59 2jr1 s SER 44 N 1.61 6.00 0.00 5.86 1.04 -1.26 -3.46 113.70 123.49 2jr1 s SER 44 Ca 0.04 -2.08 0.00 0.00 0.48 0.00 0.00 55.95 54.38 2jr1 s SER 44 Cb -0.18 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2jr1 s SER 44 CO -0.16 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2jr1 n GLY 45 N 4.75 -0.16 3.74 7.32 0.00 -1.02 -4.84 105.19 114.97 2jr1 n GLY 45 Ca -0.05 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 4.46 -1.11 1.61 3.00 -1.26 -4.49 118.95 121.16 2jr1 s ARG 46 Ca 0.00 0.98 -0.21 0.00 -1.00 0.00 0.00 55.73 55.50 2jr1 s ARG 46 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 34.95 31.63 2jr1 s ARG 46 CO 0.00 0.23 1.51 0.20 0.00 0.00 0.00 175.30 177.24 2jr1 s GLY 47 N 0.18 1.49 -0.52 8.12 0.00 -1.26 -4.92 107.32 110.41 2jr1 s GLY 47 Ca 0.38 -2.56 -0.24 0.00 0.00 0.00 0.00 44.72 42.29 2jr1 s GLY 47 CO 0.21 2.61 0.92 -1.59 0.00 0.00 0.00 173.10 175.25 2jr1 s LYS 48 N 4.38 3.39 -0.31 2.90 0.00 -1.26 -5.01 119.74 123.83 2jr1 s LYS 48 Ca 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 55.97 56.29 2jr1 s LYS 48 Cb 0.01 -4.01 0.06 0.00 0.00 0.00 0.00 37.83 33.89 2jr1 s LYS 48 CO -0.04 -1.37 0.02 0.42 0.00 0.00 0.00 175.35 174.37 2jr1 s ILE 49 N 3.81 2.90 -0.03 3.79 1.09 -1.26 -4.68 121.20 126.82 2jr1 s ILE 49 Ca 0.32 -1.54 -0.04 0.00 -1.10 0.00 0.00 60.65 58.29 2jr1 s ILE 49 Cb -0.12 -2.74 -0.15 0.00 -1.06 0.00 0.00 42.46 38.39 2jr1 s ILE 49 CO 0.21 -0.20 3.00 -0.81 -0.10 0.00 0.00 174.94 177.05 2jr1 n PRO 50 N 4.58 1.67 -0.03 2.79 -0.04 -1.26 -4.57 135.00 138.15 2jr1 n PRO 50 Ca -0.11 -0.73 -0.15 0.00 -0.04 0.00 0.00 63.50 62.47 2jr1 n PRO 50 Cb 0.43 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.28 0.29 -0.04 0.54 6.56 -1.97 0.44 116.57 124.67 2jr1 h LYS 51 Ca 0.14 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 2jr1 h LYS 51 Cb 1.29 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 2jr1 h LYS 51 CO 0.19 0.89 -0.18 -1.00 -2.06 0.00 0.00 179.45 177.29 2jr1 h PRO 52 N -0.24 0.07 0.45 3.15 0.13 -1.97 -1.65 132.00 131.94 2jr1 h PRO 52 Ca -0.02 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2jr1 h PRO 52 Cb 0.94 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2jr1 h PRO 52 CO 0.06 0.25 -0.22 0.35 -0.23 0.00 0.00 178.00 178.21 2jr1 h PHE 53 N 0.06 -0.57 0.00 1.56 3.57 -1.90 -2.65 116.94 117.03 2jr1 h PHE 53 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jr1 h PHE 53 Cb 0.36 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2jr1 h PHE 53 CO 0.00 -0.35 -0.00 1.49 -2.23 0.00 0.00 178.31 177.22 2jr1 h GLU 54 N -0.85 0.00 0.21 1.11 4.81 -0.99 0.12 114.58 118.99 2jr1 h GLU 54 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2jr1 h GLU 54 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2jr1 h GLU 54 CO 0.10 0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.28 2jr1 h ALA 55 N 2.00 -0.28 -0.15 2.92 0.00 -1.42 -2.79 119.26 119.53 2jr1 h ALA 55 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2jr1 h ALA 55 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jr1 h ALA 55 CO 0.00 -0.42 -0.43 2.35 0.00 0.00 0.00 179.25 180.75 2jr1 h TRP 56 N -0.75 0.43 0.00 0.00 7.01 -1.16 0.13 115.95 121.61 2jr1 h TRP 56 Ca -0.03 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.85 2jr1 h TRP 56 Cb 0.50 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 2jr1 h TRP 56 CO 0.05 0.73 0.00 -0.89 -2.79 0.00 0.00 178.44 175.55 2jr1 n ILE 57 N -4.01 0.60 -0.00 2.65 2.08 0.38 -3.31 119.36 117.75 2jr1 n ILE 57 Ca -0.02 0.15 0.01 0.00 0.56 0.00 0.00 62.75 63.46 2jr1 n ILE 57 Cb 0.51 -1.09 -0.03 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 -0.89 -0.19 0.20 7.39 0.00 -0.39 -3.69 105.19 107.62 2jr1 n GLY 58 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.79 -3.18 112.91 114.18 2jr1 h THR 59 Ca -0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2jr1 h THR 59 Cb 0.38 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2jr1 h THR 59 CO 0.00 0.02 -1.07 0.00 0.37 0.00 0.00 175.52 174.84 2jr1 n ALA 60 N -2.67 1.97 0.30 6.16 0.00 -1.26 -4.85 120.51 120.16 2jr1 n ALA 60 Ca 0.05 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.60 2jr1 n ALA 60 Cb 0.27 0.33 0.93 0.00 0.00 0.00 0.00 19.45 20.98 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 0.03 1.22 -0.72 0.00 0.00 -1.77 -3.28 119.26 114.75 2jr1 h ALA 61 Ca -0.03 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2jr1 h ALA 61 Cb 1.05 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 2jr1 h ALA 61 CO -0.00 0.05 -0.05 -0.92 0.00 0.00 0.00 179.25 178.33 2jr1 h TYR 62 N 0.00 -0.15 -0.90 0.00 3.20 -1.62 0.94 116.97 118.43 2jr1 h TYR 62 Ca -0.00 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2jr1 h TYR 62 Cb 0.17 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 2jr1 h TYR 62 CO 0.00 -0.25 0.59 0.00 -1.64 0.00 0.00 178.16 176.86 2jr1 h THR 63 N 0.07 1.11 -0.16 1.81 1.03 -1.86 0.20 112.91 115.11 2jr1 h THR 63 Ca 0.38 -0.37 -0.13 0.00 -0.01 0.00 0.00 66.41 66.27 2jr1 h THR 63 Cb 0.63 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 2jr1 h THR 63 CO -0.66 0.20 -0.42 0.00 -0.01 0.00 0.00 175.52 174.63 2jr1 h ALA 64 N 1.49 0.27 -0.74 0.00 0.00 -1.64 -3.15 119.26 115.49 2jr1 h ALA 64 Ca 0.37 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jr1 h ALA 64 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2jr1 h ALA 64 CO -0.12 0.39 0.48 2.35 0.00 0.00 0.00 179.25 182.34 2jr1 h TRP 65 N 0.22 0.90 -0.01 0.00 7.01 -0.59 -1.41 115.95 122.06 2jr1 h TRP 65 Ca -0.01 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.94 2jr1 h TRP 65 Cb 1.03 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2jr1 h TRP 65 CO 0.10 0.53 -0.36 0.87 -2.79 0.00 0.00 178.44 176.79 2jr1 h LYS 66 N 0.95 0.02 -0.37 2.65 1.79 -1.08 -0.41 116.57 120.11 2jr1 h LYS 66 Ca 0.29 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.67 2jr1 h LYS 66 Cb -0.04 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2jr1 h LYS 66 CO -0.09 0.38 -0.09 0.00 -1.08 0.00 0.00 179.45 178.57 2jr1 h ALA 67 N 1.62 0.52 0.00 3.86 0.00 -1.48 -3.37 119.26 120.41 2jr1 h ALA 67 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2jr1 h ALA 67 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jr1 h ALA 67 CO 0.05 0.37 -0.72 0.87 0.00 0.00 0.00 179.25 179.83 2jr1 h LYS 68 N 0.52 0.00 -3.78 0.00 1.57 -1.13 -3.48 116.57 110.28 2jr1 h LYS 68 Ca 0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2jr1 h LYS 68 Cb 0.60 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.78 2jr1 h LYS 68 CO 0.04 0.72 -0.31 -1.01 -0.57 0.00 0.00 179.45 178.31 2jr1 s HIS 69 N -3.17 0.19 0.00 -1.35 3.76 -0.17 -5.09 115.29 109.45 2jr1 s HIS 69 Ca 0.01 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jr1 s HIS 69 Cb 0.11 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.78 2jr1 s HIS 69 CO 0.77 -0.63 0.00 -0.35 -0.85 0.00 0.00 174.74 173.68 2jr1 n PRO 70 N -0.14 2.99 -2.33 8.40 -0.04 -1.26 -3.97 135.00 138.65 2jr1 n PRO 70 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2jr1 n PRO 70 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.00 5.70 -0.10 3.54 2.03 -1.26 -4.55 116.55 121.91 2jr1 n ASP 71 Ca 0.00 -3.15 -0.15 0.00 0.52 0.00 0.00 54.79 52.01 2jr1 n ASP 71 Cb 0.00 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 38.90 2jr1 n ASP 71 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jr1 n GLU 72 N 3.26 0.53 -2.02 -0.67 4.07 -1.26 -4.93 120.64 119.62 2jr1 n GLU 72 Ca 0.42 0.41 -0.42 0.00 -0.06 0.00 0.00 57.16 57.52 2jr1 n GLU 72 Cb 0.34 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 30.09 2jr1 n GLU 72 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2jr1 s LYS 73 N -2.49 4.26 0.21 5.31 2.36 -1.26 -4.19 119.74 123.95 2jr1 s LYS 73 Ca -0.26 2.28 -0.30 0.00 -2.55 0.00 0.00 55.97 55.14 2jr1 s LYS 73 Cb 0.06 -3.14 -0.09 0.00 -1.05 0.00 0.00 37.83 33.61 2jr1 s LYS 73 CO 0.41 -0.47 1.28 0.12 1.55 0.00 0.00 175.35 178.25 2jr1 s PHE 74 N 0.47 3.28 -1.14 4.03 5.36 -1.26 -4.93 117.98 123.79 2jr1 s PHE 74 Ca 0.63 1.29 -0.20 0.00 -0.96 0.00 0.00 56.93 57.70 2jr1 s PHE 74 Cb -0.42 -3.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.64 2jr1 s PHE 74 CO 0.38 -1.71 1.96 -0.35 -1.46 0.00 0.00 175.22 174.04 2jr1 n PRO 75 N 2.34 2.18 -3.62 10.12 -0.04 -1.26 -4.94 135.00 139.79 2jr1 n PRO 75 Ca 0.05 -2.46 -0.37 0.00 -0.04 0.00 0.00 63.50 60.68 2jr1 n PRO 75 Cb 0.43 -3.32 -0.07 0.00 -0.04 0.00 0.00 33.50 30.50 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 5.89 3.68 0.27 0.55 0.00 -1.26 -5.12 121.76 125.77 2jr1 s ALA 76 Ca 0.57 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.11 2jr1 s ALA 76 Cb 0.09 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2jr1 s ALA 76 CO 0.07 0.27 0.32 -0.59 0.00 0.00 0.00 175.76 175.82 2jr1 s PHE 77 N -0.10 3.21 -0.39 0.00 -0.71 -1.26 -4.38 117.98 114.36 2jr1 s PHE 77 Ca 0.16 -0.12 -0.29 0.00 -1.04 0.00 0.00 56.93 55.65 2jr1 s PHE 77 Cb -0.13 -1.62 0.01 0.00 -1.21 0.00 0.00 43.02 40.07 2jr1 s PHE 77 CO 0.05 0.36 1.35 -1.25 -1.34 0.00 0.00 175.22 174.38 2jr1 s PRO 78 N -3.97 3.69 0.00 1.99 0.04 -1.26 -4.71 135.00 130.78 2jr1 s PRO 78 Ca 0.36 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jr1 s PRO 78 Cb -0.08 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2jr1 s PRO 78 CO 0.28 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.31