#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny4 n ALA 2 N 0.00 0.00 -1.31 3.04 0.00 -1.26 -4.92 120.51 116.06 1ny4 n ALA 2 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1ny4 n ALA 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1ny4 n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ny4 n GLU 3 N 0.00 0.00 -0.54 0.00 0.28 -1.26 -4.73 120.64 114.39 1ny4 n GLU 3 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ny4 n GLU 3 Cb 0.00 -1.25 -0.00 0.00 1.43 0.00 0.00 31.44 31.62 1ny4 n GLU 3 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ny4 n ASP 4 N 4.35 -0.01 -0.39 -1.84 9.92 -1.26 -4.87 116.55 122.46 1ny4 n ASP 4 Ca 0.33 -1.47 0.03 0.00 -0.53 0.00 0.00 54.79 53.15 1ny4 n ASP 4 Cb -0.04 -0.08 0.09 0.00 -0.64 0.00 0.00 41.12 40.45 1ny4 n ASP 4 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ny4 n GLU 5 N 0.01 1.48 -3.53 -1.24 1.02 -1.26 -4.73 120.64 112.39 1ny4 n GLU 5 Ca -0.01 -0.74 -0.00 0.00 -0.02 0.00 0.00 57.16 56.39 1ny4 n GLU 5 Cb 0.60 -1.17 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 1ny4 n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ny4 s GLY 6 N -0.99 -0.07 -0.31 0.62 0.00 -1.26 -4.96 107.32 100.35 1ny4 s GLY 6 Ca 0.14 3.12 -0.11 0.00 0.00 0.00 0.00 44.72 47.87 1ny4 s GLY 6 CO 0.09 2.91 0.20 -2.52 0.00 0.00 0.00 173.10 173.78 1ny4 s TYR 7 N 1.87 3.21 0.48 1.90 -0.85 -1.26 -4.99 117.35 117.70 1ny4 s TYR 7 Ca -0.06 -0.23 -0.21 0.00 -0.52 0.00 0.00 57.07 56.05 1ny4 s TYR 7 Cb -0.05 -2.41 -0.09 0.00 0.38 0.00 0.00 41.96 39.80 1ny4 s TYR 7 CO -0.16 -0.33 1.04 -1.25 -1.52 0.00 0.00 175.55 173.33 1ny4 s PRO 8 N 1.70 3.84 -0.05 -3.49 0.04 -1.26 -2.94 135.00 132.84 1ny4 s PRO 8 Ca 0.06 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.51 1ny4 s PRO 8 Cb -0.17 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1ny4 s PRO 8 CO 0.09 -0.40 -0.12 0.00 0.04 0.00 0.00 177.00 176.61 1ny4 s ALA 9 N -1.94 1.18 -0.15 8.56 0.00 0.49 -0.91 121.76 129.00 1ny4 s ALA 9 Ca 0.66 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 1ny4 s ALA 9 Cb -0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1ny4 s ALA 9 CO 0.21 0.16 0.08 -2.00 0.00 0.00 0.00 175.76 174.21 1ny4 s GLU 10 N 0.36 3.65 0.16 0.00 2.12 0.83 -1.07 118.70 124.76 1ny4 s GLU 10 Ca -0.08 -0.28 -0.32 0.00 0.36 0.00 0.00 54.97 54.65 1ny4 s GLU 10 Cb -0.12 -3.15 -0.11 0.00 0.26 0.00 0.00 34.13 31.00 1ny4 s GLU 10 CO 0.02 0.51 1.77 0.28 -0.54 0.00 0.00 175.26 177.30 1ny4 n VAL 11 N 2.81 0.18 -0.12 3.70 0.31 -0.15 -0.28 118.33 124.79 1ny4 n VAL 11 Ca -0.18 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 1ny4 n VAL 11 Cb 0.53 -2.03 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 1ny4 n VAL 11 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ny4 n ILE 12 N 4.31 1.37 -3.60 2.52 -5.35 -0.32 -3.47 119.36 114.82 1ny4 n ILE 12 Ca 0.17 -0.59 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 1ny4 n ILE 12 Cb 0.36 -1.17 -0.07 0.00 -1.74 0.00 0.00 39.64 37.02 1ny4 n ILE 12 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1ny4 s GLU 13 N -2.48 0.78 -0.02 6.28 2.12 -1.14 -5.00 118.70 119.24 1ny4 s GLU 13 Ca -0.28 0.67 -0.15 0.00 0.36 0.00 0.00 54.97 55.57 1ny4 s GLU 13 Cb 0.08 0.37 -0.06 0.00 0.26 0.00 0.00 34.13 34.79 1ny4 s GLU 13 CO 0.61 -0.14 0.41 0.42 -0.54 0.00 0.00 175.26 176.02 1ny4 s ILE 14 N -0.12 5.05 -0.08 -3.70 1.01 -1.26 -1.17 121.20 120.92 1ny4 s ILE 14 Ca -0.02 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 1ny4 s ILE 14 Cb -0.04 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1ny4 s ILE 14 CO 0.01 0.55 -0.05 0.40 0.00 0.00 0.00 174.94 175.85 1ny4 h ILE 15 N 3.84 0.00 0.00 2.92 2.04 -1.89 -3.47 117.51 120.95 1ny4 h ILE 15 Ca -0.50 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1ny4 h ILE 15 Cb 1.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1ny4 h ILE 15 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1ny4 n GLY 16 N 1.77 -0.60 4.01 5.37 0.00 -1.17 -5.08 105.19 109.48 1ny4 n GLY 16 Ca -0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1ny4 n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ny4 s ARG 17 N -1.63 2.66 0.00 1.61 3.52 -1.26 -3.14 118.95 120.71 1ny4 s ARG 17 Ca 0.00 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 1ny4 s ARG 17 Cb 0.00 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 1ny4 s ARG 17 CO 0.00 -0.48 0.00 2.41 -0.81 0.00 0.00 175.30 176.42 1ny4 n THR 18 N -2.03 0.00 -3.74 4.11 -1.04 0.13 -4.61 114.28 107.11 1ny4 n THR 18 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ny4 n THR 18 Cb 0.60 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1ny4 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ny4 n GLY 19 N 1.90 1.66 5.11 3.41 0.00 -1.00 -4.74 105.19 111.53 1ny4 n GLY 19 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ny4 n GLY 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ny4 n THR 20 N 0.00 0.00 -0.29 2.61 -1.04 -1.26 -3.30 114.28 111.00 1ny4 n THR 20 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1ny4 n THR 20 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 1ny4 n THR 20 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1ny4 h THR 21 N 0.00 1.23 0.00 12.58 2.02 -1.99 -3.44 112.91 123.31 1ny4 h THR 21 Ca 0.00 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1ny4 h THR 21 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1ny4 h THR 21 CO 0.00 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.73 1ny4 n GLY 22 N -1.35 -1.33 4.10 2.16 0.00 -1.21 -4.95 105.19 102.61 1ny4 n GLY 22 Ca 0.10 0.57 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 1ny4 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ny4 n ASP 23 N 0.00 -0.61 -4.83 1.61 9.92 -1.26 -4.85 116.55 116.53 1ny4 n ASP 23 Ca 0.00 -1.16 -0.32 0.00 -0.53 0.00 0.00 54.79 52.78 1ny4 n ASP 23 Cb 0.00 -2.29 0.02 0.00 -0.64 0.00 0.00 41.12 38.21 1ny4 n ASP 23 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ny4 s VAL 24 N -4.05 4.13 -0.15 2.53 1.01 -1.25 -4.27 120.40 118.35 1ny4 s VAL 24 Ca 0.10 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1ny4 s VAL 24 Cb -0.05 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1ny4 s VAL 24 CO 0.94 -0.79 0.04 -0.89 0.00 0.00 0.00 175.10 174.40 1ny4 s THR 25 N -2.86 0.33 -0.07 3.92 2.01 0.14 0.22 115.64 119.34 1ny4 s THR 25 Ca 0.59 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 1ny4 s THR 25 Cb -0.14 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1ny4 s THR 25 CO 0.47 -0.06 0.48 -1.10 -0.69 0.00 0.00 174.62 173.72 1ny4 s GLN 26 N 1.96 4.25 0.04 4.92 -1.52 -1.19 -1.36 119.66 126.77 1ny4 s GLN 26 Ca 0.02 0.49 0.01 0.00 -1.95 0.00 0.00 55.36 53.93 1ny4 s GLN 26 Cb -0.15 -3.37 -0.03 0.00 -0.22 0.00 0.00 33.01 29.24 1ny4 s GLN 26 CO -0.07 0.31 -0.05 0.14 -0.25 0.00 0.00 175.29 175.37 1ny4 s VAL 27 N 0.10 0.36 -0.18 1.09 -7.23 0.04 -3.04 120.40 111.54 1ny4 s VAL 27 Ca 0.26 -1.21 -0.09 0.00 -1.81 0.00 0.00 61.98 59.14 1ny4 s VAL 27 Cb -0.16 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1ny4 s VAL 27 CO 0.12 -0.56 0.10 -0.54 -0.31 0.00 0.00 175.10 173.92 1ny4 s LYS 28 N -2.09 4.01 0.09 4.82 1.02 -0.32 -0.51 119.74 126.76 1ny4 s LYS 28 Ca -0.07 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.70 1ny4 s LYS 28 Cb -0.06 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1ny4 s LYS 28 CO -0.02 0.35 -0.12 0.14 -0.92 0.00 0.00 175.35 174.78 1ny4 s VAL 29 N 0.18 1.07 0.09 3.17 -7.23 -0.11 -1.17 120.40 116.40 1ny4 s VAL 29 Ca 0.07 -1.50 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1ny4 s VAL 29 Cb -0.12 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1ny4 s VAL 29 CO -0.01 -0.39 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.61 1ny4 s ARG 30 N -2.31 1.89 0.10 4.82 3.52 0.61 -0.09 118.95 127.49 1ny4 s ARG 30 Ca 0.03 -1.10 -0.31 0.00 -0.13 0.00 0.00 55.73 54.21 1ny4 s ARG 30 Cb -0.06 -2.14 -0.07 0.00 -1.56 0.00 0.00 34.95 31.11 1ny4 s ARG 30 CO 0.02 0.50 1.32 0.42 -0.81 0.00 0.00 175.30 176.75 1ny4 s ILE 31 N -1.07 3.56 0.03 4.11 1.01 0.11 -0.12 121.20 128.84 1ny4 s ILE 31 Ca 0.17 1.12 0.10 0.00 0.00 0.00 0.00 60.65 62.04 1ny4 s ILE 31 Cb -0.11 -3.72 -0.22 0.00 0.01 0.00 0.00 42.46 38.42 1ny4 s ILE 31 CO 0.08 0.09 0.94 -0.07 0.00 0.00 0.00 174.94 175.98 1ny4 h LEU 32 N 6.78 0.01 -7.42 2.97 3.38 -1.38 -2.47 115.31 117.19 1ny4 h LEU 32 Ca -0.42 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 57.73 1ny4 h LEU 32 Cb 1.21 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1ny4 h LEU 32 CO 0.84 1.02 0.57 -0.70 0.09 0.00 0.00 178.44 180.26 1ny4 s GLU 33 N -2.65 0.92 0.00 1.13 2.12 -1.26 -4.81 118.70 114.16 1ny4 s GLU 33 Ca -0.02 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1ny4 s GLU 33 Cb 0.09 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1ny4 s GLU 33 CO 0.82 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1ny4 n GLY 34 N -0.41 0.58 5.12 -1.50 0.00 -1.26 -4.41 105.19 103.31 1ny4 n GLY 34 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ny4 n GLY 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ny4 n ARG 35 N 0.00 0.00 0.05 1.61 0.63 -1.26 -3.79 116.66 113.90 1ny4 n ARG 35 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1ny4 n ARG 35 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1ny4 n ARG 35 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ny4 h ASP 36 N 0.00 -1.44 -6.13 6.15 5.19 -2.00 -3.47 116.42 114.73 1ny4 h ASP 36 Ca 0.00 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 1ny4 h ASP 36 Cb 0.00 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1ny4 h ASP 36 CO 0.00 -0.48 -0.97 1.17 -3.12 0.00 0.00 179.24 175.84 1ny4 n LYS 37 N -5.46 -0.39 0.00 3.56 4.81 -1.25 -4.67 118.16 114.77 1ny4 n LYS 37 Ca -0.06 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1ny4 n LYS 37 Cb 0.38 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.42 1ny4 n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ny4 n GLY 38 N 1.12 0.90 3.15 3.14 0.00 -0.93 -4.95 105.19 107.63 1ny4 n GLY 38 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ny4 n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ny4 s ARG 39 N 0.00 2.72 -0.13 1.61 6.06 -1.26 -4.87 118.95 123.09 1ny4 s ARG 39 Ca 0.00 -1.04 -0.17 0.00 -2.50 0.00 0.00 55.73 52.02 1ny4 s ARG 39 Cb 0.00 -2.89 -0.04 0.00 0.06 0.00 0.00 34.95 32.08 1ny4 s ARG 39 CO 0.00 -0.41 0.44 0.14 -2.50 0.00 0.00 175.30 172.97 1ny4 s VAL 40 N 1.27 5.21 0.33 7.11 -7.23 -1.26 -0.71 120.40 125.12 1ny4 s VAL 40 Ca -0.01 0.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.07 1ny4 s VAL 40 Cb -0.17 -3.78 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 1ny4 s VAL 40 CO -0.06 0.34 0.17 0.27 -0.31 0.00 0.00 175.10 175.50 1ny4 s ILE 41 N 0.60 0.35 -0.30 -0.62 -4.36 0.87 -4.97 121.20 112.77 1ny4 s ILE 41 Ca 0.24 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.66 1ny4 s ILE 41 Cb -0.15 -2.48 0.09 0.00 1.25 0.00 0.00 42.46 41.17 1ny4 s ILE 41 CO 0.09 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.28 1ny4 s ARG 42 N -3.74 1.57 -0.10 0.37 3.03 -1.26 -0.93 118.95 117.89 1ny4 s ARG 42 Ca 0.34 -1.53 -0.07 0.00 2.03 0.00 0.00 55.73 56.49 1ny4 s ARG 42 Cb 0.04 -2.90 -0.04 0.00 -1.03 0.00 0.00 34.95 31.02 1ny4 s ARG 42 CO 0.18 -0.82 0.17 1.03 -1.13 0.00 0.00 175.30 174.74 1ny4 s ARG 43 N 1.11 3.48 -0.18 3.89 1.81 0.33 -4.90 118.95 124.50 1ny4 s ARG 43 Ca 0.04 -0.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.91 1ny4 s ARG 43 Cb -0.19 -3.18 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1ny4 s ARG 43 CO -0.09 0.76 -0.01 0.54 -0.68 0.00 0.00 175.30 175.81 1ny4 s ASN 44 N -1.13 4.85 0.17 0.23 4.22 -1.26 -0.78 114.94 121.24 1ny4 s ASN 44 Ca 0.17 -0.15 -0.08 0.00 -2.14 0.00 0.00 52.86 50.66 1ny4 s ASN 44 Cb -0.12 -1.81 -0.01 0.00 1.28 0.00 0.00 41.25 40.58 1ny4 s ASN 44 CO 0.06 0.12 0.27 -0.69 -2.04 0.00 0.00 177.10 174.83 1ny4 s VAL 45 N 0.68 0.06 -0.02 3.54 1.01 -0.46 -4.96 120.40 120.25 1ny4 s VAL 45 Ca -0.01 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.31 1ny4 s VAL 45 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ny4 s VAL 45 CO 0.02 -0.26 0.54 -0.13 0.00 0.00 0.00 175.10 175.27 1ny4 s ARG 46 N -3.99 4.25 0.00 2.72 1.81 -1.26 0.26 118.95 122.74 1ny4 s ARG 46 Ca 0.20 0.63 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1ny4 s ARG 46 Cb 0.03 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 1ny4 s ARG 46 CO 0.02 0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.44 1ny4 n GLY 47 N 2.46 1.94 0.00 -3.53 0.00 -1.26 -4.93 105.19 99.87 1ny4 n GLY 47 Ca -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ny4 n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ny4 n PRO 48 N 1.32 0.62 -3.73 1.61 -0.04 -1.26 -4.55 135.00 128.97 1ny4 n PRO 48 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1ny4 n PRO 48 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ny4 n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ny4 s VAL 49 N -0.26 0.00 -0.12 0.52 0.11 -1.26 -5.10 120.40 114.30 1ny4 s VAL 49 Ca 0.00 -0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 58.54 1ny4 s VAL 49 Cb 0.00 -2.17 0.05 0.00 -1.53 0.00 0.00 36.38 32.73 1ny4 s VAL 49 CO 0.00 0.00 0.29 -0.13 -3.33 0.00 0.00 175.10 171.93 1ny4 s ARG 50 N -2.72 0.25 -0.38 1.54 0.52 -1.26 -5.10 118.95 111.80 1ny4 s ARG 50 Ca 0.15 0.62 -0.45 0.00 -0.52 0.00 0.00 55.73 55.53 1ny4 s ARG 50 Cb 0.01 -0.09 -0.20 0.00 0.52 0.00 0.00 34.95 35.20 1ny4 s ARG 50 CO 0.00 -0.17 1.48 0.28 0.02 0.00 0.00 175.30 176.91 1ny4 n VAL 51 N 4.33 0.01 0.00 3.52 0.31 -1.26 -1.31 118.33 123.92 1ny4 n VAL 51 Ca -0.23 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1ny4 n VAL 51 Cb 0.53 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1ny4 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ny4 n GLY 52 N 3.43 1.06 3.33 2.92 0.00 -1.23 -5.03 105.19 109.68 1ny4 n GLY 52 Ca 0.28 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1ny4 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ny4 n ASP 53 N 0.00 -2.66 -3.95 1.61 -0.08 -0.43 -4.51 116.55 106.53 1ny4 n ASP 53 Ca 0.00 0.68 -0.16 0.00 -1.51 0.00 0.00 54.79 53.80 1ny4 n ASP 53 Cb 0.00 -0.98 -0.14 0.00 2.34 0.00 0.00 41.12 42.34 1ny4 n ASP 53 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ny4 s ILE 54 N -1.89 0.40 -0.22 5.18 1.01 -1.26 -0.97 121.20 123.45 1ny4 s ILE 54 Ca 0.61 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 1ny4 s ILE 54 Cb -0.47 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 41.71 1ny4 s ILE 54 CO 0.62 0.12 0.58 -0.76 0.00 0.00 0.00 174.94 175.50 1ny4 s LEU 55 N -0.10 -0.31 0.24 2.97 1.43 -0.23 -4.93 118.68 117.75 1ny4 s LEU 55 Ca 0.02 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.15 1ny4 s LEU 55 Cb -0.02 2.00 -0.08 0.00 0.03 0.00 0.00 46.19 48.12 1ny4 s LEU 55 CO -0.00 -0.21 0.67 -0.63 0.23 0.00 0.00 176.35 176.41 1ny4 s ILE 56 N 0.54 4.71 -0.69 -0.59 1.01 -1.26 -0.38 121.20 124.54 1ny4 s ILE 56 Ca -0.02 0.99 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 1ny4 s ILE 56 Cb -0.05 -3.73 0.17 0.00 0.01 0.00 0.00 42.46 38.87 1ny4 s ILE 56 CO -0.02 0.06 0.51 -0.76 0.00 0.00 0.00 174.94 174.73 1ny4 s LEU 57 N -2.37 5.23 0.53 2.97 2.01 -1.15 -4.89 118.68 121.01 1ny4 s LEU 57 Ca 0.46 -3.13 0.31 0.00 0.01 0.00 0.00 54.13 51.77 1ny4 s LEU 57 Cb -0.14 -1.84 1.45 0.00 0.01 0.00 0.00 46.19 45.67 1ny4 s LEU 57 CO 0.20 -0.30 2.03 0.08 1.01 0.00 0.00 176.35 179.37 1ny4 h ARG 58 N 6.65 0.00 0.00 1.70 -0.00 -1.92 -3.41 114.38 117.40 1ny4 h ARG 58 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 1ny4 h ARG 58 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.87 1ny4 h ARG 58 CO 0.74 0.09 0.00 -1.91 -0.00 0.00 0.00 179.97 178.89 1ny4 n GLU 59 N -3.32 0.00 -0.69 0.08 2.13 -1.26 -5.01 120.64 112.56 1ny4 n GLU 59 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1ny4 n GLU 59 Cb 0.28 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1ny4 n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1ny4 n THR 60 N -2.29 0.00 -1.21 6.31 5.66 -1.26 -4.88 114.28 116.60 1ny4 n THR 60 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1ny4 n THR 60 Cb 0.00 -0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1ny4 n THR 60 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ny4 n GLU 61 N -2.00 -0.63 0.20 1.09 1.02 -1.26 -4.97 120.64 114.09 1ny4 n GLU 61 Ca 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1ny4 n GLU 61 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1ny4 n GLU 61 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ny4 n ARG 62 N -1.43 0.00 -2.51 3.49 0.63 -1.26 -5.11 116.66 110.46 1ny4 n ARG 62 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.88 1ny4 n ARG 62 Cb 0.14 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.06 1ny4 n ARG 62 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ny4 n GLU 63 N -3.48 -1.72 -2.53 -0.14 1.02 -1.26 -4.92 120.64 107.61 1ny4 n GLU 63 Ca 0.00 1.68 -0.41 0.00 -0.02 0.00 0.00 57.16 58.41 1ny4 n GLU 63 Cb 0.00 -4.62 0.02 0.00 -0.02 0.00 0.00 31.44 26.83 1ny4 n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ny4 n ALA 64 N -0.44 6.14 0.27 0.62 0.00 -1.26 -4.79 120.51 121.05 1ny4 n ALA 64 Ca 0.08 -4.54 -0.18 0.00 0.00 0.00 0.00 53.44 48.81 1ny4 n ALA 64 Cb 0.35 -2.15 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 1ny4 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ny4 h ARG 65 N 4.02 -0.92 -5.26 0.00 3.08 -2.08 -3.47 114.38 109.75 1ny4 h ARG 65 Ca 0.54 0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.54 1ny4 h ARG 65 Cb 0.28 0.21 0.09 0.00 0.08 0.00 0.00 29.97 30.62 1ny4 h ARG 65 CO 1.22 -0.61 -0.38 -1.91 -1.07 0.00 0.00 179.97 177.21 1ny4 n GLU 66 N -5.43 -1.65 -1.46 0.04 4.07 -1.26 -4.74 120.64 110.21 1ny4 n GLU 66 Ca -0.11 1.14 -0.62 0.00 -0.06 0.00 0.00 57.16 57.51 1ny4 n GLU 66 Cb 0.44 -5.53 -0.11 0.00 -0.06 0.00 0.00 31.44 26.19 1ny4 n GLU 66 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1ny4 n ILE 67 N -2.39 0.03 -0.04 6.31 0.13 -1.26 -4.76 119.36 117.39 1ny4 n ILE 67 Ca -0.03 -0.02 0.02 0.00 -1.10 0.00 0.00 62.75 61.62 1ny4 n ILE 67 Cb 0.55 -0.62 0.36 0.00 -0.84 0.00 0.00 39.64 39.09 1ny4 n ILE 67 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1ny4 h LYS 68 N 7.82 0.63 -0.86 9.51 1.57 -2.02 -2.93 116.57 130.28 1ny4 h LYS 68 Ca -0.25 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1ny4 h LYS 68 Cb 1.39 -0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1ny4 h LYS 68 CO 1.04 0.47 -0.51 0.45 -0.57 0.00 0.00 179.45 180.33 1ny4 n SER 69 N -4.41 -0.91 -3.22 0.86 2.88 -1.26 -4.86 113.62 102.69 1ny4 n SER 69 Ca 0.04 1.61 -0.08 0.00 -1.33 0.00 0.00 58.87 59.11 1ny4 n SER 69 Cb 0.10 -0.23 0.01 0.00 -0.75 0.00 0.00 64.21 63.33 1ny4 n SER 69 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ny4 n ARG 70 N -5.00 -0.76 0.00 -1.46 3.00 -1.11 -5.30 116.66 106.04 1ny4 n ARG 70 Ca 0.02 1.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.87 1ny4 n ARG 70 Cb 0.22 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1ny4 n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17