#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jic s THR 2 N 0.00 5.35 -0.27 0.00 -4.23 -1.26 -2.82 115.64 112.42 1jic s THR 2 Ca 0.00 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1jic s THR 2 Cb 0.00 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 1jic s THR 2 CO 0.00 0.27 0.07 -0.69 -0.54 0.00 0.00 174.62 173.73 1jic s VAL 3 N -1.39 4.15 -0.53 2.29 1.01 -0.30 -4.92 120.40 120.70 1jic s VAL 3 Ca 0.31 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1jic s VAL 3 Cb -0.13 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1jic s VAL 3 CO 0.20 0.24 0.71 -0.54 0.00 0.00 0.00 175.10 175.71 1jic s LYS 4 N 1.57 3.14 -0.13 2.72 1.02 -1.26 -1.86 119.74 124.94 1jic s LYS 4 Ca 0.05 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1jic s LYS 4 Cb -0.16 -4.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.01 1jic s LYS 4 CO 0.03 -1.35 -0.11 -0.59 -0.92 0.00 0.00 175.35 172.41 1jic s PHE 5 N 2.94 2.85 0.29 3.18 -0.71 -0.80 -4.88 117.98 120.85 1jic s PHE 5 Ca 0.17 -0.53 -0.29 0.00 -1.04 0.00 0.00 56.93 55.24 1jic s PHE 5 Cb -0.19 -1.85 -0.10 0.00 -1.21 0.00 0.00 43.02 39.68 1jic s PHE 5 CO 0.12 -0.14 1.10 -1.59 -1.34 0.00 0.00 175.22 173.37 1jic s LYS 6 N 0.25 4.61 0.00 1.99 0.00 -1.26 -1.28 119.74 124.05 1jic s LYS 6 Ca -0.08 1.79 0.00 0.00 0.00 0.00 0.00 55.97 57.69 1jic s LYS 6 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.53 1jic s LYS 6 CO 0.05 0.19 0.00 0.98 0.00 0.00 0.00 175.35 176.57 1jic n TYR 7 N 1.11 0.00 0.00 1.78 9.36 -0.91 -4.96 117.16 123.54 1jic n TYR 7 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1jic n TYR 7 Cb 0.45 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 1jic n TYR 7 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1jic n LYS 8 N -1.01 0.00 -2.28 2.98 5.02 -1.26 -4.92 118.16 116.69 1jic n LYS 8 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1jic n LYS 8 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1jic n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jic n GLY 9 N 4.67 5.79 3.17 0.72 0.00 -1.26 -4.94 105.19 113.34 1jic n GLY 9 Ca 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 46.02 43.41 1jic n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jic s GLU 10 N -4.10 0.41 -0.36 1.61 2.02 -1.26 -5.14 118.70 111.88 1jic s GLU 10 Ca 0.47 0.91 -0.15 0.00 0.02 0.00 0.00 54.97 56.22 1jic s GLU 10 Cb 0.34 0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.73 1jic s GLU 10 CO -0.28 -0.45 0.34 -2.00 0.02 0.00 0.00 175.26 172.88 1jic s GLU 11 N 2.67 3.39 -0.20 1.61 2.12 -1.26 -2.14 118.70 124.88 1jic s GLU 11 Ca 0.07 -0.61 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 1jic s GLU 11 Cb -0.14 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 1jic s GLU 11 CO -0.16 -0.59 0.23 0.15 -0.54 0.00 0.00 175.26 174.35 1jic s LYS 12 N 1.92 4.16 -0.33 4.30 -0.14 -0.40 -4.82 119.74 124.42 1jic s LYS 12 Ca 0.09 -0.08 -0.17 0.00 -1.36 0.00 0.00 55.97 54.45 1jic s LYS 12 Cb -0.17 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.48 1jic s LYS 12 CO 0.11 0.14 0.48 -1.14 -0.76 0.00 0.00 175.35 174.18 1jic s GLN 13 N 0.81 3.68 -0.04 1.68 0.74 -1.26 -1.90 119.66 123.37 1jic s GLN 13 Ca 0.12 -0.14 0.04 0.00 0.05 0.00 0.00 55.36 55.42 1jic s GLN 13 Cb -0.13 -3.78 -0.00 0.00 1.10 0.00 0.00 33.01 30.19 1jic s GLN 13 CO 0.03 -0.57 -0.16 0.54 -0.55 0.00 0.00 175.29 174.58 1jic s VAL 14 N 2.30 1.33 0.39 1.34 0.11 -0.78 -4.94 120.40 120.16 1jic s VAL 14 Ca 0.18 -0.66 -0.24 0.00 -2.93 0.00 0.00 61.98 58.32 1jic s VAL 14 Cb -0.16 -1.15 -0.10 0.00 -1.53 0.00 0.00 36.38 33.45 1jic s VAL 14 CO 0.12 0.39 1.00 -1.81 -3.33 0.00 0.00 175.10 171.47 1jic s ASP 15 N 0.06 6.95 0.20 3.54 1.11 -1.26 -1.15 116.67 126.12 1jic s ASP 15 Ca -0.04 1.90 -0.09 0.00 0.18 0.00 0.00 52.55 54.50 1jic s ASP 15 Cb -0.11 -2.57 0.14 0.00 1.07 0.00 0.00 42.92 41.44 1jic s ASP 15 CO 0.02 -0.35 1.78 -0.29 1.18 0.00 0.00 175.17 177.51 1jic h ILE 16 N 2.23 1.24 -0.57 0.77 2.10 -1.91 -3.09 117.51 118.29 1jic h ILE 16 Ca -0.48 -0.71 0.04 0.00 1.08 0.00 0.00 64.86 64.79 1jic h ILE 16 Cb 1.20 0.33 -0.03 0.00 -1.09 0.00 0.00 36.82 37.23 1jic h ILE 16 CO 0.63 0.29 0.38 0.77 -1.08 0.00 0.00 178.15 179.14 1jic h SER 17 N 1.05 0.54 0.39 2.19 4.64 -1.95 -3.09 113.55 117.32 1jic h SER 17 Ca 0.25 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1jic h SER 17 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jic h SER 17 CO -0.03 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 1jic n LYS 18 N -4.47 0.41 -2.66 4.77 5.02 -1.17 -4.77 118.16 115.30 1jic n LYS 18 Ca 0.07 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1jic n LYS 18 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1jic n LYS 18 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jic s ILE 19 N -2.49 4.19 -0.10 -0.18 1.01 -1.17 -1.90 121.20 120.57 1jic s ILE 19 Ca 0.25 0.90 -0.27 0.00 0.00 0.00 0.00 60.65 61.53 1jic s ILE 19 Cb 0.16 -4.62 -0.26 0.00 0.01 0.00 0.00 42.46 37.75 1jic s ILE 19 CO 0.36 -1.14 0.87 0.50 0.00 0.00 0.00 174.94 175.53 1jic h LYS 20 N 9.35 0.08 -3.82 2.79 3.64 -1.57 -3.45 116.57 123.59 1jic h LYS 20 Ca -0.24 -0.12 -0.38 0.00 -1.27 0.00 0.00 60.65 58.64 1jic h LYS 20 Cb 1.06 0.04 -0.35 0.00 -0.41 0.00 0.00 32.23 32.58 1jic h LYS 20 CO 1.13 0.99 -0.76 0.15 -2.27 0.00 0.00 179.45 178.70 1jic s LYS 21 N -2.55 0.53 -0.05 1.90 1.02 -1.09 -5.03 119.74 114.47 1jic s LYS 21 Ca -0.17 0.02 0.07 0.00 0.02 0.00 0.00 55.97 55.90 1jic s LYS 21 Cb -0.01 -0.68 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1jic s LYS 21 CO 0.72 -0.14 -0.25 0.54 -0.92 0.00 0.00 175.35 175.30 1jic s VAL 22 N 1.12 2.05 -0.08 3.17 0.11 -1.26 -1.57 120.40 123.94 1jic s VAL 22 Ca -0.08 -1.07 -0.04 0.00 -2.93 0.00 0.00 61.98 57.85 1jic s VAL 22 Cb -0.14 -1.73 0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1jic s VAL 22 CO -0.01 0.57 0.18 -1.66 -3.33 0.00 0.00 175.10 170.84 1jic s TRP 23 N -0.26 -0.21 -0.62 1.54 -2.14 -0.91 -5.04 118.94 111.29 1jic s TRP 23 Ca -0.01 0.56 -0.23 0.00 2.66 0.00 0.00 56.10 59.08 1jic s TRP 23 Cb -0.13 -0.02 0.06 0.00 -3.10 0.00 0.00 33.47 30.28 1jic s TRP 23 CO 0.03 -0.17 0.96 -0.98 -2.66 0.00 0.00 176.95 174.13 1jic s ARG 24 N 1.00 3.18 -0.01 3.25 1.70 -1.26 -2.33 118.95 124.47 1jic s ARG 24 Ca -0.08 -0.63 -0.21 0.00 -0.47 0.00 0.00 55.73 54.35 1jic s ARG 24 Cb -0.09 -4.17 -0.25 0.00 -0.57 0.00 0.00 34.95 29.87 1jic s ARG 24 CO -0.06 -1.71 1.05 -0.24 -1.08 0.00 0.00 175.30 173.27 1jic h VAL 25 N 5.99 1.47 0.00 4.99 3.04 -1.86 -3.50 116.25 126.37 1jic h VAL 25 Ca -0.28 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 63.29 1jic h VAL 25 Cb 1.07 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 33.07 1jic h VAL 25 CO 1.15 0.61 0.00 0.61 -1.01 0.00 0.00 177.57 178.93 1jic n GLY 26 N 1.16 -1.99 0.19 3.17 0.00 -1.26 -4.94 105.19 101.51 1jic n GLY 26 Ca -0.11 0.78 0.06 0.00 0.00 0.00 0.00 46.02 46.76 1jic n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jic h LYS 27 N 0.00 0.00 -5.76 1.61 1.57 -2.01 -3.47 116.57 108.51 1jic h LYS 27 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1jic h LYS 27 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 1jic h LYS 27 CO 0.00 0.35 -0.60 -1.64 -0.57 0.00 0.00 179.45 176.99 1jic s MET 28 N -3.60 1.98 -0.30 3.15 -1.94 -1.26 -3.31 119.30 114.02 1jic s MET 28 Ca 0.00 -2.02 0.01 0.00 -1.71 0.00 0.00 55.69 51.97 1jic s MET 28 Cb 0.11 -1.72 0.09 0.00 2.01 0.00 0.00 34.83 35.32 1jic s MET 28 CO 0.68 -0.01 0.04 0.42 -0.01 0.00 0.00 175.02 176.14 1jic s ILE 29 N -2.67 1.48 0.14 2.53 1.01 -0.31 -2.51 121.20 120.87 1jic s ILE 29 Ca 0.35 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.21 1jic s ILE 29 Cb 0.07 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.46 1jic s ILE 29 CO 0.18 -0.50 0.56 -0.55 0.00 0.00 0.00 174.94 174.63 1jic s SER 30 N 1.34 6.85 -0.11 3.58 0.15 -0.99 -1.99 113.70 122.53 1jic s SER 30 Ca 0.06 1.10 -0.10 0.00 0.70 0.00 0.00 55.95 57.72 1jic s SER 30 Cb -0.18 -2.30 0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1jic s SER 30 CO -0.15 0.11 0.28 0.72 1.20 0.00 0.00 173.24 175.41 1jic s PHE 31 N -1.44 -0.31 -0.40 3.44 -0.71 -0.88 -2.14 117.98 115.54 1jic s PHE 31 Ca 0.37 0.75 -0.11 0.00 -1.04 0.00 0.00 56.93 56.90 1jic s PHE 31 Cb -0.15 0.10 0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1jic s PHE 31 CO 0.19 -0.15 0.24 0.95 -1.34 0.00 0.00 175.22 175.11 1jic s THR 32 N 0.20 4.61 -0.09 -4.49 -4.23 -0.61 -1.47 115.64 109.55 1jic s THR 32 Ca -0.00 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.43 1jic s THR 32 Cb -0.02 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1jic s THR 32 CO -0.00 -0.33 0.20 -0.72 -0.54 0.00 0.00 174.62 173.23 1jic s TYR 33 N 1.54 3.63 0.28 3.99 -0.85 -0.56 -1.51 117.35 123.87 1jic s TYR 33 Ca 0.02 0.63 -0.10 0.00 -0.52 0.00 0.00 57.07 57.11 1jic s TYR 33 Cb -0.20 -2.03 -0.07 0.00 0.38 0.00 0.00 41.96 40.04 1jic s TYR 33 CO 0.06 0.71 0.61 0.34 -1.52 0.00 0.00 175.55 175.75 1jic s ASP 34 N -1.01 6.61 0.00 -0.18 -1.08 -0.80 -1.45 116.67 118.77 1jic s ASP 34 Ca 0.17 0.98 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 1jic s ASP 34 Cb -0.13 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1jic s ASP 34 CO 0.06 -0.15 0.00 -1.84 0.52 0.00 0.00 175.17 173.76 1jic n GLU 35 N -0.44 1.19 0.00 4.34 0.28 -1.24 -4.88 120.64 119.89 1jic n GLU 35 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1jic n GLU 35 Cb 0.53 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.30 1jic n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jic n GLY 36 N 0.00 1.16 2.90 -1.84 0.00 -1.26 -5.06 105.19 101.09 1jic n GLY 36 Ca 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 1jic n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jic n GLY 37 N 0.00 4.81 3.07 -0.02 0.00 -1.26 -4.64 105.19 107.14 1jic n GLY 37 Ca 0.00 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 1jic n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jic n GLY 38 N 2.59 -0.31 2.59 -0.02 0.00 -1.26 -5.05 105.19 103.72 1jic n GLY 38 Ca 0.37 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 1jic n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jic s LYS 39 N -5.06 0.25 -0.25 1.61 -0.14 -1.26 -5.12 119.74 109.77 1jic s LYS 39 Ca 0.04 -0.50 -0.17 0.00 -1.36 0.00 0.00 55.97 53.99 1jic s LYS 39 Cb -0.01 -1.05 -0.03 0.00 -1.68 0.00 0.00 37.83 35.06 1jic s LYS 39 CO 0.63 -1.04 0.45 -0.08 -0.76 0.00 0.00 175.35 174.55 1jic s THR 40 N 2.08 5.13 0.21 2.17 -1.32 -1.26 -3.66 115.64 118.99 1jic s THR 40 Ca 0.10 0.75 -0.19 0.00 -1.21 0.00 0.00 61.69 61.14 1jic s THR 40 Cb -0.16 -3.77 -0.08 0.00 -1.51 0.00 0.00 72.50 66.98 1jic s THR 40 CO -0.33 0.15 0.70 -0.83 -2.21 0.00 0.00 174.62 172.10 1jic s GLY 41 N 1.45 2.61 -0.31 6.08 0.00 -0.53 -4.93 107.32 111.69 1jic s GLY 41 Ca 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.00 1jic s GLY 41 CO 0.09 0.49 0.05 -1.60 0.00 0.00 0.00 173.10 172.13 1jic s ARG 42 N -1.92 2.64 0.52 2.90 3.52 -1.26 -1.50 118.95 123.85 1jic s ARG 42 Ca 0.42 -1.14 0.08 0.00 -0.13 0.00 0.00 55.73 54.95 1jic s ARG 42 Cb -0.17 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1jic s ARG 42 CO 0.21 -0.59 0.55 0.20 -0.81 0.00 0.00 175.30 174.86 1jic s GLY 43 N 1.36 2.07 -0.08 8.12 0.00 -0.54 -5.00 107.32 113.25 1jic s GLY 43 Ca -0.02 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 1jic s GLY 43 CO 0.01 -1.78 0.38 0.00 0.00 0.00 0.00 173.10 171.71 1jic s ALA 44 N -2.65 -0.96 -0.08 3.20 0.00 -1.26 -2.08 121.76 117.93 1jic s ALA 44 Ca 0.48 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1jic s ALA 44 Cb -0.04 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1jic s ALA 44 CO 0.30 -0.24 0.18 0.54 0.00 0.00 0.00 175.76 176.54 1jic s VAL 45 N -0.64 -0.08 1.03 0.00 0.11 -0.84 -4.92 120.40 115.05 1jic s VAL 45 Ca -0.07 0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1jic s VAL 45 Cb -0.04 -0.30 0.20 0.00 -1.53 0.00 0.00 36.38 34.72 1jic s VAL 45 CO 0.03 0.08 1.11 -0.44 -3.33 0.00 0.00 175.10 172.55 1jic s SER 46 N 1.34 2.43 0.01 3.54 0.01 -1.26 -1.17 113.70 118.60 1jic s SER 46 Ca -0.08 1.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.95 1jic s SER 46 Cb -0.11 -1.58 -0.17 0.00 0.21 0.00 0.00 66.02 64.37 1jic s SER 46 CO -0.07 -3.23 1.28 -0.33 0.41 0.00 0.00 173.24 171.30 1jic h GLU 47 N -1.96 -0.32 -0.49 12.44 4.39 -1.90 -2.17 114.58 124.57 1jic h GLU 47 Ca -0.52 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1jic h GLU 47 Cb 1.33 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1jic h GLU 47 CO 0.54 0.00 0.18 0.87 -1.16 0.00 0.00 179.01 179.44 1jic h LYS 48 N -0.67 0.71 -0.94 2.33 1.57 -1.96 -3.30 116.57 114.31 1jic h LYS 48 Ca -0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1jic h LYS 48 Cb 0.47 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1jic h LYS 48 CO 0.06 0.60 0.57 0.22 -0.57 0.00 0.00 179.45 180.32 1jic h ASP 49 N 0.70 1.14 -2.83 0.86 3.58 -1.92 -3.42 116.42 114.52 1jic h ASP 49 Ca 0.17 -0.07 -0.56 0.00 0.42 0.00 0.00 57.03 56.98 1jic h ASP 49 Cb 0.17 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1jic h ASP 49 CO -0.01 0.87 0.98 0.00 -2.88 0.00 0.00 179.24 178.20 1jic s ALA 50 N -5.96 3.60 -0.01 -0.78 0.00 -0.82 -4.94 121.76 112.86 1jic s ALA 50 Ca -0.13 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1jic s ALA 50 Cb 0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1jic s ALA 50 CO 0.82 -1.33 0.23 -1.00 0.00 0.00 0.00 175.76 174.48 1jic h PRO 51 N 8.84 -0.04 0.00 0.00 0.13 -1.90 -3.49 132.00 135.55 1jic h PRO 51 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jic h PRO 51 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1jic h PRO 51 CO 0.97 -0.03 0.00 1.17 -0.23 0.00 0.00 178.00 179.89 1jic n LYS 52 N -2.41 0.00 0.12 0.86 4.81 -1.26 -4.95 118.16 115.33 1jic n LYS 52 Ca -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1jic n LYS 52 Cb 0.02 -0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.00 1jic n LYS 52 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1jic h GLU 53 N 0.00 -0.31 -0.26 1.64 5.08 -2.02 -2.80 114.58 115.91 1jic h GLU 53 Ca 0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1jic h GLU 53 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1jic h GLU 53 CO 0.00 -0.21 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.61 1jic h LEU 54 N -0.33 0.42 -0.77 1.33 3.38 -1.97 -3.27 115.31 114.10 1jic h LEU 54 Ca 0.00 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1jic h LEU 54 Cb 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1jic h LEU 54 CO -0.04 0.58 0.09 -0.07 0.09 0.00 0.00 178.44 179.09 1jic h LEU 55 N 0.41 0.98 -0.81 1.67 3.38 -1.90 -3.34 115.31 115.71 1jic h LEU 55 Ca 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1jic h LEU 55 Cb 0.46 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1jic h LEU 55 CO 0.03 0.98 0.10 1.56 0.09 0.00 0.00 178.44 181.20 1jic h GLN 56 N 0.96 1.00 0.24 1.13 4.20 -1.55 -3.33 115.11 117.76 1jic h GLN 56 Ca 0.19 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1jic h GLN 56 Cb 0.43 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1jic h GLN 56 CO 0.01 0.92 -0.12 0.52 -0.67 0.00 0.00 178.83 179.49 1jic h MET 57 N 0.94 -0.31 0.00 1.46 2.86 -1.70 -3.11 114.93 115.07 1jic h MET 57 Ca 0.19 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1jic h MET 57 Cb 0.41 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1jic h MET 57 CO 0.01 -0.04 -0.07 -0.07 1.06 0.00 0.00 176.91 177.79 1jic h LEU 58 N -0.56 0.00 -4.25 1.22 3.38 -1.74 -2.90 115.31 110.46 1jic h LEU 58 Ca -0.03 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 1jic h LEU 58 Cb 0.41 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.74 1jic h LEU 58 CO 0.05 0.07 -0.81 1.21 0.09 0.00 0.00 178.44 179.06 1jic n GLU 59 N -3.18 3.34 0.17 1.13 2.13 -1.25 -4.88 120.64 118.10 1jic n GLU 59 Ca 0.01 -4.26 0.00 0.00 0.66 0.00 0.00 57.16 53.57 1jic n GLU 59 Cb 0.39 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1jic n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1jic n LYS 60 N -0.56 0.00 0.00 5.31 0.00 -1.17 -5.00 118.16 116.73 1jic n LYS 60 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1jic n LYS 60 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.84 1jic n LYS 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1jic n GLN 61 N -3.24 0.00 0.00 1.64 6.02 -1.10 -5.08 117.38 115.62 1jic n GLN 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jic n GLN 61 Cb 0.00 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 30.84 1jic n GLN 61 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22