#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr4 h LEU 20 N 0.00 0.08 -1.81 -2.67 3.38 -1.99 -2.52 115.31 109.77 2nr4 h LEU 20 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2nr4 h LEU 20 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2nr4 h LEU 20 CO 0.00 0.42 -0.13 0.77 0.09 0.00 0.00 178.44 179.60 2nr4 h SER 21 N 0.07 0.00 0.35 -0.43 4.64 -1.92 -0.05 113.55 116.20 2nr4 h SER 21 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nr4 h SER 21 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2nr4 h SER 21 CO 0.05 0.13 -0.02 0.28 -0.87 0.00 0.00 176.83 176.40 2nr4 h SER 22 N 0.00 0.00 -0.26 4.97 0.02 -1.77 -2.77 113.55 113.74 2nr4 h SER 22 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nr4 h SER 22 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2nr4 h SER 22 CO 0.02 0.02 0.00 0.49 -1.14 0.00 0.00 176.83 176.21 2nr4 n PHE 23 N -3.19 0.71 -0.54 3.45 3.72 -0.11 -4.97 117.46 116.55 2nr4 n PHE 23 Ca -0.02 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 2nr4 n PHE 23 Cb 0.16 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2nr4 n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nr4 n GLY 24 N -0.27 0.74 3.35 1.37 0.00 -1.05 -4.69 105.19 104.65 2nr4 n GLY 24 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 2nr4 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr4 s ILE 25 N -2.21 5.20 0.44 -0.61 -1.09 -0.76 -4.91 121.20 117.28 2nr4 s ILE 25 Ca 0.00 -1.74 0.07 0.00 -2.23 0.00 0.00 60.65 56.75 2nr4 s ILE 25 Cb 0.00 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 2nr4 s ILE 25 CO 0.00 -1.07 0.20 -0.13 -1.23 0.00 0.00 174.94 172.71 2nr4 s ARG 26 N 1.47 2.24 0.43 2.79 1.81 -1.26 -3.10 118.95 123.33 2nr4 s ARG 26 Ca 0.14 -1.91 -0.25 0.00 -1.72 0.00 0.00 55.73 51.99 2nr4 s ARG 26 Cb -0.18 -1.97 -0.09 0.00 -0.45 0.00 0.00 34.95 32.25 2nr4 s ARG 26 CO -0.02 -0.21 1.30 -1.91 -0.68 0.00 0.00 175.30 173.78 2nr4 n GLU 27 N -1.32 1.98 0.00 3.54 2.13 -1.26 -4.40 120.64 121.30 2nr4 n GLU 27 Ca -0.02 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2nr4 n GLU 27 Cb 0.65 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.92 2nr4 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nr4 n GLY 28 N 0.77 -0.15 3.23 8.31 0.00 -0.52 -4.81 105.19 112.01 2nr4 n GLY 28 Ca 0.06 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 2nr4 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr4 s ILE 29 N 0.00 3.19 -0.24 -0.61 1.01 -1.26 -1.08 121.20 122.21 2nr4 s ILE 29 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 2nr4 s ILE 29 Cb 0.00 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2nr4 s ILE 29 CO 0.00 0.07 0.50 -0.44 0.00 0.00 0.00 174.94 175.07 2nr4 s SER 30 N 1.35 6.46 -0.48 3.58 0.01 0.10 -4.88 113.70 119.83 2nr4 s SER 30 Ca -0.01 0.55 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 2nr4 s SER 30 Cb -0.18 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.81 2nr4 s SER 30 CO -0.02 -0.24 0.80 -1.61 0.41 0.00 0.00 173.24 172.58 2nr4 s GLU 31 N 2.07 3.34 0.44 12.44 0.41 -1.26 -1.48 118.70 134.65 2nr4 s GLU 31 Ca 0.22 -0.26 0.03 0.00 -0.41 0.00 0.00 54.97 54.54 2nr4 s GLU 31 Cb -0.16 -3.99 -0.03 0.00 -1.78 0.00 0.00 34.13 28.17 2nr4 s GLU 31 CO 0.09 -1.22 0.05 0.96 -0.49 0.00 0.00 175.26 174.66 2nr4 s ILE 32 N 3.35 1.08 -0.21 -1.63 -5.25 -0.79 -4.82 121.20 112.93 2nr4 s ILE 32 Ca 0.28 -2.00 -0.07 0.00 -0.99 0.00 0.00 60.65 57.86 2nr4 s ILE 32 Cb -0.13 -2.42 -0.04 0.00 2.95 0.00 0.00 42.46 42.83 2nr4 s ILE 32 CO 0.20 0.00 0.06 -0.63 -1.79 0.00 0.00 174.94 172.79 2nr4 s ILE 33 N -3.03 4.54 -0.12 8.37 1.01 -0.24 -1.54 121.20 130.19 2nr4 s ILE 33 Ca 0.20 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 2nr4 s ILE 33 Cb 0.04 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2nr4 s ILE 33 CO 0.11 0.40 0.50 0.00 0.00 0.00 0.00 174.94 175.94 2nr4 s ALA 34 N 0.97 3.46 -0.11 9.38 0.00 0.45 -1.12 121.76 134.80 2nr4 s ALA 34 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2nr4 s ALA 34 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2nr4 s ALA 34 CO 0.03 -0.02 0.09 -1.54 0.00 0.00 0.00 175.76 174.31 2nr4 s SER 35 N 0.65 5.94 0.23 0.00 1.04 -0.07 -1.58 113.70 119.93 2nr4 s SER 35 Ca 0.27 0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.99 2nr4 s SER 35 Cb -0.15 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 2nr4 s SER 35 CO 0.11 0.39 0.29 0.42 0.98 0.00 0.00 173.24 175.43 2nr4 s THR 36 N -0.95 0.00 0.00 2.02 -4.23 -0.38 -1.33 115.64 110.77 2nr4 s THR 36 Ca 0.14 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2nr4 s THR 36 Cb -0.12 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2nr4 s THR 36 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2nr4 n GLY 37 N -0.35 0.23 0.26 3.99 0.00 -1.26 -1.04 105.19 107.03 2nr4 n GLY 37 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.42 2nr4 n GLY 37 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nr4 h PHE 38 N 0.00 -0.38 0.00 1.61 0.04 -1.95 -3.11 116.94 113.15 2nr4 h PHE 38 Ca 0.00 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2nr4 h PHE 38 Cb 0.00 0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2nr4 h PHE 38 CO 0.00 -0.30 -0.99 0.39 -0.60 0.00 0.00 178.31 176.82 2nr4 n GLU 39 N -5.45 0.33 -3.17 1.51 1.02 -1.26 -4.72 120.64 108.90 2nr4 n GLU 39 Ca 0.08 0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.27 2nr4 n GLU 39 Cb 0.35 -1.63 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 2nr4 n GLU 39 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2nr4 s HIS 40 N -3.22 -1.59 0.35 -0.32 5.04 -1.18 -5.15 115.29 109.22 2nr4 s HIS 40 Ca 0.03 1.49 -0.28 0.00 -1.54 0.00 0.00 55.06 54.77 2nr4 s HIS 40 Cb 0.14 0.46 -0.09 0.00 0.04 0.00 0.00 32.58 33.12 2nr4 s HIS 40 CO 0.79 -0.91 1.23 -1.25 -2.34 0.00 0.00 174.74 172.26 2nr4 s PRO 41 N 2.82 4.28 0.03 2.88 0.04 -1.18 -4.42 135.00 139.46 2nr4 s PRO 41 Ca 0.18 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2nr4 s PRO 41 Cb -0.14 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 2nr4 s PRO 41 CO -0.22 -0.18 -0.08 1.21 0.04 0.00 0.00 177.00 177.77 2nr4 s ASN 42 N -0.76 0.92 0.04 6.66 3.84 -0.20 -4.85 114.94 120.58 2nr4 s ASN 42 Ca 0.51 -0.44 0.05 0.00 0.21 0.00 0.00 52.86 53.19 2nr4 s ASN 42 Cb -0.36 -0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.32 2nr4 s ASN 42 CO 0.46 -0.11 -0.15 0.00 -2.79 0.00 0.00 177.10 174.51 2nr4 s ALA 43 N -1.04 1.25 -0.23 1.71 0.00 -1.26 -1.25 121.76 120.95 2nr4 s ALA 43 Ca -0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 2nr4 s ALA 43 Cb -0.08 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2nr4 s ALA 43 CO 0.00 0.24 0.69 0.00 0.00 0.00 0.00 175.76 176.70 2nr4 s ALA 44 N -0.84 -1.73 0.29 0.00 0.00 -0.62 -4.75 121.76 114.12 2nr4 s ALA 44 Ca 0.02 1.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 2nr4 s ALA 44 Cb -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 2nr4 s ALA 44 CO 0.01 -0.34 1.56 -2.14 0.00 0.00 0.00 175.76 174.86 2nr4 s PRO 45 N 0.12 4.15 -0.07 0.00 0.02 -1.26 -0.41 135.00 137.55 2nr4 s PRO 45 Ca -0.02 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.41 2nr4 s PRO 45 Cb -0.04 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.46 2nr4 s PRO 45 CO 0.02 -0.59 0.28 0.42 -0.33 0.00 0.00 177.00 176.81 2nr4 s ILE 46 N -0.03 0.02 -0.23 2.83 -1.09 -0.59 -4.85 121.20 117.26 2nr4 s ILE 46 Ca 0.62 -0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.68 2nr4 s ILE 46 Cb -0.47 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 2nr4 s ILE 46 CO 0.47 -0.11 0.40 -0.83 -1.23 0.00 0.00 174.94 173.65 2nr4 s GLY 47 N -0.41 1.98 -0.15 6.18 0.00 -1.26 -1.89 107.32 111.77 2nr4 s GLY 47 Ca -0.05 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.85 2nr4 s GLY 47 CO 0.02 0.93 0.47 -0.42 0.00 0.00 0.00 173.10 174.10 2nr4 s ILE 48 N 1.72 5.18 -0.20 0.90 1.01 -0.55 -4.52 121.20 124.75 2nr4 s ILE 48 Ca 0.18 0.91 -0.09 0.00 0.00 0.00 0.00 60.65 61.64 2nr4 s ILE 48 Cb -0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2nr4 s ILE 48 CO 0.09 0.29 0.11 -0.69 0.00 0.00 0.00 174.94 174.74 2nr4 s VAL 49 N 0.89 5.25 -0.14 2.92 1.01 0.35 -0.73 120.40 129.95 2nr4 s VAL 49 Ca 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2nr4 s VAL 49 Cb -0.15 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.88 2nr4 s VAL 49 CO 0.09 0.44 -0.06 -0.32 0.00 0.00 0.00 175.10 175.25 2nr4 s MET 50 N 0.38 1.48 -0.36 2.72 0.00 -0.24 -0.77 119.30 122.51 2nr4 s MET 50 Ca 0.07 -0.39 0.15 0.00 0.00 0.00 0.00 55.69 55.52 2nr4 s MET 50 Cb -0.11 -1.80 0.43 0.00 0.00 0.00 0.00 34.83 33.34 2nr4 s MET 50 CO -0.01 -0.35 0.92 0.36 0.00 0.00 0.00 175.02 175.94 2nr4 n LYS 51 N 4.91 1.46 0.00 4.11 2.85 -1.26 -1.44 118.16 128.79 2nr4 n LYS 51 Ca -0.12 -3.49 0.00 0.00 -1.05 0.00 0.00 58.31 53.64 2nr4 n LYS 51 Cb 0.49 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2nr4 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2nr4 n GLY 52 N -0.05 2.70 0.00 2.58 0.00 -1.26 -5.02 105.19 104.15 2nr4 n GLY 52 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2nr4 n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nr4 n GLU 53 N -1.30 1.62 -2.31 1.61 -0.58 -1.26 -5.11 120.64 113.30 2nr4 n GLU 53 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2nr4 n GLU 53 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2nr4 n GLU 53 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2nr4 s ARG 54 N 4.95 3.84 0.80 3.49 0.52 -1.26 -5.01 118.95 126.28 2nr4 s ARG 54 Ca 0.00 1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 56.82 2nr4 s ARG 54 Cb 0.00 -2.44 0.08 0.00 0.52 0.00 0.00 34.95 33.11 2nr4 s ARG 54 CO 0.00 -0.47 1.13 -1.25 0.02 0.00 0.00 175.30 174.73 2nr4 s PRO 55 N -2.65 1.91 0.18 3.54 0.04 -1.26 -4.71 135.00 132.05 2nr4 s PRO 55 Ca 0.62 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2nr4 s PRO 55 Cb -0.27 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2nr4 s PRO 55 CO 0.33 -1.94 0.31 -0.59 0.04 0.00 0.00 177.00 175.16 2nr4 s PHE 56 N -2.64 0.45 0.09 0.56 -0.12 0.05 -0.84 117.98 115.53 2nr4 s PHE 56 Ca 0.65 -0.80 0.06 0.00 -0.05 0.00 0.00 56.93 56.79 2nr4 s PHE 56 Cb -0.21 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 2nr4 s PHE 56 CO 0.54 -0.77 -0.16 0.14 -0.05 0.00 0.00 175.22 174.92 2nr4 s VAL 57 N -3.99 1.33 -0.25 -2.49 -7.23 -0.24 -0.49 120.40 107.03 2nr4 s VAL 57 Ca 0.20 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2nr4 s VAL 57 Cb 0.03 -1.31 0.06 0.00 0.56 0.00 0.00 36.38 35.72 2nr4 s VAL 57 CO 0.03 -0.22 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.37 2nr4 s ARG 58 N -1.99 2.10 -0.19 4.82 0.52 -1.26 -2.19 118.95 120.77 2nr4 s ARG 58 Ca 0.03 -1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2nr4 s ARG 58 Cb -0.09 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 2nr4 s ARG 58 CO 0.03 -0.56 0.05 -0.51 0.02 0.00 0.00 175.30 174.33 2nr4 s LEU 59 N 1.20 3.68 0.19 2.53 1.43 0.39 -4.91 118.68 123.19 2nr4 s LEU 59 Ca -0.07 0.01 -0.32 0.00 -1.03 0.00 0.00 54.13 52.72 2nr4 s LEU 59 Cb -0.19 -1.93 -0.12 0.00 0.03 0.00 0.00 46.19 43.98 2nr4 s LEU 59 CO -0.06 0.14 1.75 -0.36 0.23 0.00 0.00 176.35 178.05 2nr4 s PHE 60 N 0.56 2.76 0.37 0.29 0.08 -1.26 -0.65 117.98 120.12 2nr4 s PHE 60 Ca 0.02 0.26 -0.27 0.00 0.12 0.00 0.00 56.93 57.07 2nr4 s PHE 60 Cb -0.13 -4.15 -0.09 0.00 -0.57 0.00 0.00 43.02 38.07 2nr4 s PHE 60 CO 0.01 -4.45 1.29 0.15 -0.10 0.00 0.00 175.22 172.13 2nr4 s LYS 61 N 1.48 4.17 0.00 0.44 1.02 -1.08 -3.42 119.74 122.35 2nr4 s LYS 61 Ca 0.76 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.90 2nr4 s LYS 61 Cb -0.49 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2nr4 s LYS 61 CO 0.33 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2nr4 n GLY 62 N 0.73 0.34 3.91 -3.33 0.00 -1.26 -5.05 105.19 100.52 2nr4 n GLY 62 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2nr4 n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nr4 s SER 63 N -2.06 5.21 0.19 1.61 1.04 -1.22 -4.92 113.70 113.55 2nr4 s SER 63 Ca 0.00 0.81 -0.08 0.00 0.48 0.00 0.00 55.95 57.16 2nr4 s SER 63 Cb 0.00 -1.59 0.09 0.00 0.10 0.00 0.00 66.02 64.63 2nr4 s SER 63 CO 0.00 -1.40 1.61 0.45 0.98 0.00 0.00 173.24 174.88 2nr4 h HIS 64 N -0.56 1.07 -0.45 5.02 3.86 -1.98 -1.63 115.15 120.48 2nr4 h HIS 64 Ca -0.45 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 58.57 2nr4 h HIS 64 Cb 1.28 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.45 2nr4 h HIS 64 CO 0.43 1.02 0.22 1.15 0.86 0.00 0.00 177.93 181.61 2nr4 h THR 65 N 0.84 0.96 -0.25 2.45 2.02 -1.95 -1.03 112.91 115.95 2nr4 h THR 65 Ca 0.13 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2nr4 h THR 65 Cb 0.70 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2nr4 h THR 65 CO 0.05 0.08 -0.01 -0.25 0.37 0.00 0.00 175.52 175.77 2nr4 h TRP 66 N 0.44 -0.02 -0.92 3.16 7.01 -1.78 -0.99 115.95 122.84 2nr4 h TRP 66 Ca 0.19 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.21 2nr4 h TRP 66 Cb 0.10 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 2nr4 h TRP 66 CO -0.10 -0.05 0.58 1.49 -2.79 0.00 0.00 178.44 177.57 2nr4 h GLU 67 N 0.07 1.24 -0.22 2.65 4.81 -0.91 -0.83 114.58 121.38 2nr4 h GLU 67 Ca 0.12 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 2nr4 h GLU 67 Cb 0.16 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2nr4 h GLU 67 CO -0.21 0.85 -0.55 -0.91 -0.73 0.00 0.00 179.01 177.46 2nr4 h ASN 68 N 1.26 0.75 -0.27 1.04 2.35 -0.95 -2.28 115.58 117.48 2nr4 h ASN 68 Ca 0.33 -0.40 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2nr4 h ASN 68 Cb -0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 2nr4 h ASN 68 CO -0.07 1.15 0.04 0.58 -1.65 0.00 0.00 177.43 177.48 2nr4 h VAL 69 N 0.51 1.23 -0.33 2.81 2.07 -0.79 0.24 116.25 122.00 2nr4 h VAL 69 Ca 0.01 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.81 2nr4 h VAL 69 Cb 1.12 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 2nr4 h VAL 69 CO 0.11 0.25 -0.18 -0.07 0.02 0.00 0.00 177.57 177.71 2nr4 h LEU 70 N 0.25 -0.59 -0.05 2.57 4.07 -1.11 0.19 115.31 120.64 2nr4 h LEU 70 Ca 0.08 0.13 -0.08 0.00 0.08 0.00 0.00 57.88 58.09 2nr4 h LEU 70 Cb 0.34 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2nr4 h LEU 70 CO 0.01 -0.21 -0.30 0.50 -1.08 0.00 0.00 178.44 177.36 2nr4 h LYS 71 N -0.13 0.29 0.00 1.13 3.64 -1.31 -3.39 116.57 116.80 2nr4 h LYS 71 Ca 0.17 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2nr4 h LYS 71 Cb 0.39 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2nr4 h LYS 71 CO -0.41 0.90 -1.91 0.39 -2.27 0.00 0.00 179.45 176.15 2nr4 n GLU 72 N -4.45 0.64 -3.95 1.90 1.02 0.83 -5.01 120.64 111.61 2nr4 n GLU 72 Ca -0.09 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.60 2nr4 n GLU 72 Cb 0.50 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2nr4 n GLU 72 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nr4 n LYS 73 N -2.22 -4.72 -3.76 3.49 4.01 0.66 -4.97 118.16 110.64 2nr4 n LYS 73 Ca -0.06 0.53 -0.13 0.00 -0.51 0.00 0.00 58.31 58.14 2nr4 n LYS 73 Cb 0.56 -5.26 -0.10 0.00 -0.51 0.00 0.00 35.03 29.72 2nr4 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nr4 s LEU 75 N -0.31 -0.44 -0.06 0.00 0.20 -0.52 -4.61 118.68 112.94 2nr4 s LEU 75 Ca -0.04 1.01 0.05 0.00 0.69 0.00 0.00 54.13 55.84 2nr4 s LEU 75 Cb -0.03 2.26 -0.02 0.00 -0.43 0.00 0.00 46.19 47.97 2nr4 s LEU 75 CO 0.02 -0.37 -0.21 0.00 -0.29 0.00 0.00 176.35 175.50 2nr4 s ALA 76 N -0.31 2.35 0.38 5.97 0.00 -0.45 -0.29 121.76 129.42 2nr4 s ALA 76 Ca -0.05 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 2nr4 s ALA 76 Cb -0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 2nr4 s ALA 76 CO 0.04 0.44 1.04 -1.54 0.00 0.00 0.00 175.76 175.74 2nr4 s SER 77 N -0.26 6.89 -0.12 0.00 1.04 -0.06 -0.89 113.70 120.29 2nr4 s SER 77 Ca 0.00 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.45 2nr4 s SER 77 Cb -0.13 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.44 2nr4 s SER 77 CO 0.03 -0.40 -0.02 0.20 0.98 0.00 0.00 173.24 174.03 2nr4 s ASN 78 N -1.52 2.24 -0.16 7.02 0.01 -0.27 -2.07 114.94 120.20 2nr4 s ASN 78 Ca 0.56 -0.40 -0.29 0.00 -0.71 0.00 0.00 52.86 52.01 2nr4 s ASN 78 Cb -0.22 -0.66 -0.00 0.00 0.41 0.00 0.00 41.25 40.77 2nr4 s ASN 78 CO 0.28 -0.20 1.01 -0.69 -1.51 0.00 0.00 177.10 175.99 2nr4 s VAL 79 N 1.82 4.75 -0.06 1.60 1.01 -0.24 -1.08 120.40 128.20 2nr4 s VAL 79 Ca 0.03 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.04 2nr4 s VAL 79 Cb -0.14 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.96 2nr4 s VAL 79 CO -0.07 -0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.20 2nr4 s VAL 80 N 2.48 0.78 -2.09 2.92 1.01 -1.26 -0.11 120.40 124.13 2nr4 s VAL 80 Ca 0.46 -0.26 0.19 0.00 0.00 0.00 0.00 61.98 62.38 2nr4 s VAL 80 Cb -0.17 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.52 2nr4 s VAL 80 CO 0.13 0.28 1.04 -1.22 0.00 0.00 0.00 175.10 175.33 2nr4 n TYR 81 N 4.04 0.00 -2.99 5.22 4.01 -1.26 -4.94 117.16 121.24 2nr4 n TYR 81 Ca -0.23 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.09 2nr4 n TYR 81 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 2nr4 n TYR 81 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2nr4 s ASP 82 N -1.88 6.56 0.38 7.72 2.15 -1.26 -4.94 116.67 125.39 2nr4 s ASP 82 Ca 0.19 0.42 0.17 0.00 0.43 0.00 0.00 52.55 53.76 2nr4 s ASP 82 Cb 0.16 -2.38 0.74 0.00 -0.30 0.00 0.00 42.92 41.13 2nr4 s ASP 82 CO 0.36 -0.66 1.78 1.55 -0.17 0.00 0.00 175.17 178.03 2nr4 h PRO 83 N 8.36 0.00 -0.21 4.34 0.13 -1.92 -2.81 132.00 139.89 2nr4 h PRO 83 Ca -0.25 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 2nr4 h PRO 83 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2nr4 h PRO 83 CO 0.88 0.38 -0.01 0.82 -0.23 0.00 0.00 178.00 179.85 2nr4 h ILE 84 N 0.00 0.84 -0.79 -3.56 2.04 -1.92 -2.15 117.51 111.96 2nr4 h ILE 84 Ca -0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2nr4 h ILE 84 Cb 0.79 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2nr4 h ILE 84 CO 0.05 0.01 0.33 0.25 0.00 0.00 0.00 178.15 178.79 2nr4 h LEU 85 N 0.06 1.07 -0.52 1.44 5.85 -1.93 0.71 115.31 121.99 2nr4 h LEU 85 Ca 0.10 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2nr4 h LEU 85 Cb 0.13 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2nr4 h LEU 85 CO -0.17 0.94 0.16 -0.26 -0.34 0.00 0.00 178.44 178.76 2nr4 h PHE 86 N 1.15 0.27 -0.05 1.25 0.04 -1.33 1.00 116.94 119.27 2nr4 h PHE 86 Ca 0.27 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.87 2nr4 h PHE 86 Cb 0.19 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.31 2nr4 h PHE 86 CO 0.02 0.06 -0.74 0.28 -0.60 0.00 0.00 178.31 177.33 2nr4 h VAL 87 N 0.32 1.35 -0.72 -0.55 2.07 -0.95 -2.31 116.25 115.45 2nr4 h VAL 87 Ca 0.26 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.73 2nr4 h VAL 87 Cb 0.32 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2nr4 h VAL 87 CO -0.29 0.62 0.48 0.03 0.02 0.00 0.00 177.57 178.43 2nr4 h ARG 88 N 0.19 0.94 0.00 1.57 3.08 -0.76 -1.59 114.38 117.81 2nr4 h ARG 88 Ca -0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2nr4 h ARG 88 Cb 1.41 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2nr4 h ARG 88 CO 0.15 0.62 -0.09 0.66 -1.07 0.00 0.00 179.97 180.24 2nr4 h SER 89 N 0.97 0.00 0.05 7.04 4.64 -0.78 -0.16 113.55 125.31 2nr4 h SER 89 Ca 0.26 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.44 2nr4 h SER 89 Cb -0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2nr4 h SER 89 CO -0.06 0.09 -0.60 0.74 -0.87 0.00 0.00 176.83 176.13 2nr4 h THR 90 N 0.00 1.49 -0.02 2.95 2.02 -0.73 -3.39 112.91 115.23 2nr4 h THR 90 Ca -0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2nr4 h THR 90 Cb 0.57 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 2nr4 h THR 90 CO 0.01 0.64 -0.03 0.49 0.37 0.00 0.00 175.52 177.00 2nr4 n PHE 91 N -4.24 0.00 -4.20 3.16 3.72 -0.70 -5.01 117.46 110.18 2nr4 n PHE 91 Ca -0.12 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.14 2nr4 n PHE 91 Cb 0.70 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.18 2nr4 n PHE 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2nr4 n SER 92 N 0.62 -0.54 -4.47 4.37 7.64 -0.08 -5.06 113.62 116.10 2nr4 n SER 92 Ca 0.07 -2.60 -0.35 0.00 1.01 0.00 0.00 58.87 57.00 2nr4 n SER 92 Cb 0.32 1.25 -0.12 0.00 -1.01 0.00 0.00 64.21 64.65 2nr4 n SER 92 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2nr4 s ASP 93 N -2.70 5.04 0.39 6.43 1.01 -1.26 -4.63 116.67 120.94 2nr4 s ASP 93 Ca 0.29 -0.17 -0.25 0.00 0.71 0.00 0.00 52.55 53.13 2nr4 s ASP 93 Cb 0.01 -1.88 -0.09 0.00 1.01 0.00 0.00 42.92 41.98 2nr4 s ASP 93 CO 0.21 0.04 1.14 -0.76 0.21 0.00 0.00 175.17 176.01 2nr4 s LEU 94 N 1.14 4.21 0.45 1.23 1.43 -1.26 -5.00 118.68 120.87 2nr4 s LEU 94 Ca 0.03 2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 55.21 2nr4 s LEU 94 Cb -0.14 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 41.95 2nr4 s LEU 94 CO 0.02 -0.60 0.97 0.68 0.23 0.00 0.00 176.35 177.65 2nr4 s VAL 95 N -1.44 4.30 0.62 -1.59 -7.23 -1.26 -4.92 120.40 108.87 2nr4 s VAL 95 Ca 0.56 1.41 0.28 0.00 -1.81 0.00 0.00 61.98 62.42 2nr4 s VAL 95 Cb -0.29 -3.58 0.34 0.00 0.56 0.00 0.00 36.38 33.41 2nr4 s VAL 95 CO 0.37 -0.33 1.84 -0.65 -0.31 0.00 0.00 175.10 176.02 2nr4 h PRO 96 N 1.77 0.00 0.00 4.82 0.11 -1.94 -0.44 132.00 136.32 2nr4 h PRO 96 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nr4 h PRO 96 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2nr4 h PRO 96 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 2nr4 n SER 97 N -3.38 0.00 -0.17 -2.05 3.41 -1.26 -2.45 113.62 107.73 2nr4 n SER 97 Ca 0.05 0.50 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 2nr4 n SER 97 Cb 0.62 -0.50 0.51 0.00 -0.26 0.00 0.00 64.21 64.58 2nr4 n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nr4 n GLU 98 N -1.50 0.73 -4.26 4.33 1.02 -0.17 -4.88 120.64 115.90 2nr4 n GLU 98 Ca 0.04 -0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 56.60 2nr4 n GLU 98 Cb 0.17 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2nr4 n GLU 98 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2nr4 s PHE 99 N -2.50 2.76 0.12 -0.32 0.08 -1.02 -1.16 117.98 115.94 2nr4 s PHE 99 Ca 0.26 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.14 2nr4 s PHE 99 Cb 0.20 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 2nr4 s PHE 99 CO 0.50 0.58 -0.05 -1.83 -0.10 0.00 0.00 175.22 174.32 2nr4 s GLU 100 N -3.46 0.92 -0.14 0.44 -1.05 -0.10 -4.77 118.70 110.54 2nr4 s GLU 100 Ca 0.30 -1.39 -0.04 0.00 -0.15 0.00 0.00 54.97 53.69 2nr4 s GLU 100 Cb -0.07 -0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.34 2nr4 s GLU 100 CO 0.20 -0.04 0.01 0.71 0.95 0.00 0.00 175.26 177.08 2nr4 s TYR 101 N -3.62 3.15 0.24 4.83 2.02 -1.26 -0.65 117.35 122.06 2nr4 s TYR 101 Ca 0.15 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 2nr4 s TYR 101 Cb 0.05 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2nr4 s TYR 101 CO -0.02 0.22 -0.01 0.14 -1.57 0.00 0.00 175.55 174.30 2nr4 s VAL 102 N -0.12 1.16 1.02 0.71 -7.23 -0.87 -4.87 120.40 110.20 2nr4 s VAL 102 Ca 0.05 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2nr4 s VAL 102 Cb -0.13 -2.38 0.26 0.00 0.56 0.00 0.00 36.38 34.70 2nr4 s VAL 102 CO 0.02 -0.31 0.71 0.47 -0.31 0.00 0.00 175.10 175.67 2nr4 n ASP 103 N -0.46 -2.95 0.00 4.85 8.00 -1.26 -0.32 116.55 124.40 2nr4 n ASP 103 Ca -0.05 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2nr4 n ASP 103 Cb 0.64 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2nr4 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nr4 n GLY 105 N -3.77 -0.74 3.86 0.44 0.00 -1.26 -4.73 105.19 98.98 2nr4 n GLY 105 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2nr4 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nr4 s GLU 106 N 0.00 3.88 0.00 1.61 1.03 -1.26 -4.92 118.70 119.04 2nr4 s GLU 106 Ca 0.00 0.35 0.00 0.00 0.03 0.00 0.00 54.97 55.35 2nr4 s GLU 106 Cb 0.00 -2.90 0.00 0.00 -0.80 0.00 0.00 34.13 30.43 2nr4 s GLU 106 CO 0.00 0.47 0.00 1.19 -1.33 0.00 0.00 175.26 175.59 2nr4 n PHE 107 N 0.64 0.00 -2.62 4.83 3.72 -1.26 -5.06 117.46 117.71 2nr4 n PHE 107 Ca -0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.14 2nr4 n PHE 107 Cb 0.52 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 2nr4 n PHE 107 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2nr4 s LYS 108 N -3.95 2.53 -0.12 -1.08 3.01 -1.26 -4.65 119.74 114.22 2nr4 s LYS 108 Ca 0.00 -0.76 -0.11 0.00 -1.01 0.00 0.00 55.97 54.09 2nr4 s LYS 108 Cb 0.00 -2.47 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 2nr4 s LYS 108 CO 0.00 -0.73 0.31 0.12 0.51 0.00 0.00 175.35 175.56 2nr4 s PHE 109 N -2.78 -0.34 0.12 3.18 5.36 0.56 -4.91 117.98 119.16 2nr4 s PHE 109 Ca 0.57 0.84 -0.30 0.00 -0.96 0.00 0.00 56.93 57.08 2nr4 s PHE 109 Cb -0.10 0.12 -0.07 0.00 -0.34 0.00 0.00 43.02 42.63 2nr4 s PHE 109 CO 0.39 -0.17 1.15 -1.25 -1.46 0.00 0.00 175.22 173.88 2nr4 s PRO 110 N 0.17 4.51 0.25 10.12 0.04 -1.26 -2.04 135.00 146.79 2nr4 s PRO 110 Ca -0.00 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.85 2nr4 s PRO 110 Cb -0.02 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2nr4 s PRO 110 CO 0.00 -0.10 -0.07 0.14 0.04 0.00 0.00 177.00 177.01 2nr4 s VAL 111 N 0.42 1.57 0.18 -0.36 -7.23 0.17 -4.62 120.40 110.53 2nr4 s VAL 111 Ca 0.54 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 2nr4 s VAL 111 Cb -0.29 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 2nr4 s VAL 111 CO 0.32 -0.38 1.16 -0.76 -0.31 0.00 0.00 175.10 175.14 2nr4 s LEU 112 N -3.39 4.46 0.43 1.32 1.43 -1.26 -0.92 118.68 120.75 2nr4 s LEU 112 Ca 0.27 2.19 0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2nr4 s LEU 112 Cb 0.03 -3.61 0.94 0.00 0.03 0.00 0.00 46.19 43.58 2nr4 s LEU 112 CO 0.10 -0.32 1.98 0.11 0.23 0.00 0.00 176.35 178.45 2nr4 h LYS 113 N 5.18 0.11 -0.31 1.70 1.57 -1.44 -2.23 116.57 121.15 2nr4 h LYS 113 Ca -0.44 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2nr4 h LYS 113 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2nr4 h LYS 113 CO 0.74 0.25 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 2nr4 n GLU 114 N -4.33 1.92 -1.87 3.15 -0.58 -1.26 -4.93 120.64 112.74 2nr4 n GLU 114 Ca -0.02 -1.41 -0.41 0.00 -0.42 0.00 0.00 57.16 54.90 2nr4 n GLU 114 Cb 0.23 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 2nr4 n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nr4 s ALA 115 N -1.59 3.61 -0.01 0.62 0.00 -0.84 -4.89 121.76 118.66 2nr4 s ALA 115 Ca 0.31 1.50 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 2nr4 s ALA 115 Cb 0.17 -3.59 -0.19 0.00 0.00 0.00 0.00 23.12 19.50 2nr4 s ALA 115 CO 0.23 -0.93 1.27 0.82 0.00 0.00 0.00 175.76 177.15 2nr4 h ILE 116 N 3.16 1.39 -3.37 0.00 1.08 -0.83 -3.40 117.51 115.54 2nr4 h ILE 116 Ca -0.49 -1.21 -0.16 0.00 -0.39 0.00 0.00 64.86 62.61 2nr4 h ILE 116 Cb 1.23 2.15 -0.24 0.00 -3.07 0.00 0.00 36.82 36.89 2nr4 h ILE 116 CO 0.70 0.32 -0.49 0.00 -0.69 0.00 0.00 178.15 177.99 2nr4 s ALA 117 N -4.21 -0.41 0.08 1.87 0.00 -1.26 -0.36 121.76 117.47 2nr4 s ALA 117 Ca -0.16 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2nr4 s ALA 117 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2nr4 s ALA 117 CO 0.69 -0.14 -0.14 1.67 0.00 0.00 0.00 175.76 177.84 2nr4 s TRP 118 N -0.57 1.21 -0.06 0.00 1.48 -0.20 -1.08 118.94 119.72 2nr4 s TRP 118 Ca -0.07 -0.48 0.00 0.00 -1.06 0.00 0.00 56.10 54.50 2nr4 s TRP 118 Cb -0.04 -0.68 0.02 0.00 -1.16 0.00 0.00 33.47 31.62 2nr4 s TRP 118 CO 0.01 0.06 -0.03 0.08 -4.06 0.00 0.00 176.95 173.01 2nr4 s VAL 119 N -1.39 0.50 -0.14 -0.66 1.01 -0.88 -0.78 120.40 118.06 2nr4 s VAL 119 Ca -0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2nr4 s VAL 119 Cb -0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2nr4 s VAL 119 CO 0.02 0.24 0.66 -0.69 0.00 0.00 0.00 175.10 175.34 2nr4 s VAL 120 N 1.33 5.03 -0.01 2.92 1.01 0.04 -0.88 120.40 129.84 2nr4 s VAL 120 Ca -0.05 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.31 2nr4 s VAL 120 Cb -0.13 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2nr4 s VAL 120 CO -0.02 0.17 -0.21 -0.36 0.00 0.00 0.00 175.10 174.68 2nr4 s PHE 121 N 1.45 2.49 -0.03 5.22 0.08 0.60 0.16 117.98 127.95 2nr4 s PHE 121 Ca 0.33 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 2nr4 s PHE 121 Cb -0.16 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2nr4 s PHE 121 CO 0.13 0.11 0.99 -2.00 -0.10 0.00 0.00 175.22 174.35 2nr4 s GLU 122 N -0.91 4.52 -0.09 0.44 2.12 0.08 -1.44 118.70 123.42 2nr4 s GLU 122 Ca 0.12 1.40 -0.23 0.00 0.36 0.00 0.00 54.97 56.62 2nr4 s GLU 122 Cb -0.10 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2nr4 s GLU 122 CO 0.01 -0.13 0.68 0.00 -0.54 0.00 0.00 175.26 175.28 2nr4 s ILE 124 N 0.95 0.87 -1.59 0.00 -4.36 0.36 -4.79 121.20 112.64 2nr4 s ILE 124 Ca 0.36 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.59 2nr4 s ILE 124 Cb -0.17 -2.41 0.11 0.00 1.25 0.00 0.00 42.46 41.23 2nr4 s ILE 124 CO 0.16 -0.25 0.88 0.59 0.24 0.00 0.00 174.94 176.56 2nr4 n ASN 125 N -0.42 -3.93 -4.66 4.36 3.02 -1.26 -0.84 115.26 111.53 2nr4 n ASN 125 Ca -0.04 -0.88 -0.47 0.00 -0.03 0.00 0.00 54.58 53.16 2nr4 n ASN 125 Cb 0.65 -3.43 -0.05 0.00 -0.61 0.00 0.00 39.78 36.34 2nr4 n ASN 125 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2nr4 n LEU 126 N -4.55 2.91 -3.74 3.41 4.32 -1.26 -4.53 117.00 113.56 2nr4 n LEU 126 Ca 0.03 1.07 -0.13 0.00 -0.02 0.00 0.00 56.01 56.97 2nr4 n LEU 126 Cb 0.52 -1.38 -0.11 0.00 -1.62 0.00 0.00 43.42 40.84 2nr4 n LEU 126 CO 0.79 -0.37 0.01 0.00 -1.22 0.00 0.00 177.39 176.60 2nr4 s ARG 127 N 1.30 0.39 0.04 3.23 1.70 0.32 -4.98 118.95 120.95 2nr4 s ARG 127 Ca 0.82 0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 56.32 2nr4 s ARG 127 Cb -0.73 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 2nr4 s ARG 127 CO 0.41 -0.08 0.97 -0.80 -1.08 0.00 0.00 175.30 174.73 2nr4 s ASN 128 N 0.48 7.42 -0.04 -2.89 0.02 -1.26 -0.40 114.94 118.26 2nr4 s ASN 128 Ca -0.02 1.71 -0.01 0.00 -1.02 0.00 0.00 52.86 53.52 2nr4 s ASN 128 Cb -0.04 -2.58 0.03 0.00 0.02 0.00 0.00 41.25 38.68 2nr4 s ASN 128 CO -0.02 -0.18 0.01 0.28 0.02 0.00 0.00 177.10 177.20 2nr4 s THR 129 N 0.61 0.19 0.00 1.60 -1.32 -0.53 -4.94 115.64 111.24 2nr4 s THR 129 Ca 0.50 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2nr4 s THR 129 Cb -0.22 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2nr4 s THR 129 CO 0.29 0.19 0.00 0.47 -2.21 0.00 0.00 174.62 173.36 2nr4 n ASP 130 N 4.66 0.00 -1.64 8.08 9.92 -1.26 -1.55 116.55 134.77 2nr4 n ASP 130 Ca -0.16 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 53.94 2nr4 n ASP 130 Cb 0.50 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.08 2nr4 n ASP 130 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nr4 n GLN 131 N 11.76 2.77 -4.15 -1.24 6.02 -1.26 -5.02 117.38 126.27 2nr4 n GLN 131 Ca 0.00 -3.70 -0.14 0.00 -0.01 0.00 0.00 57.00 53.15 2nr4 n GLN 131 Cb 0.00 -2.07 -0.11 0.00 1.02 0.00 0.00 30.24 29.08 2nr4 n GLN 131 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2nr4 s SER 132 N -3.09 1.31 -0.21 1.08 0.01 -0.59 -2.65 113.70 109.56 2nr4 s SER 132 Ca 0.49 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2nr4 s SER 132 Cb 0.42 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2nr4 s SER 132 CO 0.01 -0.27 0.01 -0.22 0.41 0.00 0.00 173.24 173.18 2nr4 s LEU 133 N -2.32 3.27 -0.11 2.44 2.96 0.17 -1.45 118.68 123.64 2nr4 s LEU 133 Ca 0.03 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2nr4 s LEU 133 Cb -0.04 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2nr4 s LEU 133 CO -0.00 0.04 0.07 -0.69 -1.32 0.00 0.00 176.35 174.45 2nr4 s VAL 134 N 1.15 4.90 -0.01 1.68 1.01 0.47 -0.46 120.40 129.13 2nr4 s VAL 134 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2nr4 s VAL 134 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2nr4 s VAL 134 CO 0.02 0.60 0.01 0.00 0.00 0.00 0.00 175.10 175.73 2nr4 s ALA 135 N -0.86 0.00 0.60 5.51 0.00 -0.93 -0.52 121.76 125.56 2nr4 s ALA 135 Ca 0.13 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 2nr4 s ALA 135 Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2nr4 s ALA 135 CO 0.03 -0.02 0.96 -0.51 0.00 0.00 0.00 175.76 176.21 2nr4 s ASP 136 N 0.19 5.93 -0.10 0.00 1.01 -0.02 -1.08 116.67 122.59 2nr4 s ASP 136 Ca -0.02 1.08 0.02 0.00 0.71 0.00 0.00 52.55 54.35 2nr4 s ASP 136 Cb -0.02 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.79 2nr4 s ASP 136 CO -0.01 -0.94 -0.17 -0.76 0.21 0.00 0.00 175.17 173.50 2nr4 s LEU 137 N -5.07 1.80 -0.23 1.23 1.43 -0.02 -0.49 118.68 117.33 2nr4 s LEU 137 Ca 0.54 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2nr4 s LEU 137 Cb -0.11 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.01 2nr4 s LEU 137 CO 0.49 0.05 -0.09 -0.69 0.23 0.00 0.00 176.35 176.34 2nr4 s VAL 138 N 0.82 2.76 0.34 -1.59 1.01 0.03 -4.31 120.40 119.46 2nr4 s VAL 138 Ca -0.10 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 2nr4 s VAL 138 Cb -0.16 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 2nr4 s VAL 138 CO 0.01 0.30 1.20 -2.16 0.00 0.00 0.00 175.10 174.45 2nr4 s PRO 139 N 1.34 4.33 -0.07 2.72 0.04 -1.26 -0.74 135.00 141.35 2nr4 s PRO 139 Ca 0.02 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2nr4 s PRO 139 Cb -0.16 -2.97 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 2nr4 s PRO 139 CO -0.06 -0.12 -0.02 1.28 0.04 0.00 0.00 177.00 178.12 2nr4 n LEU 140 N 0.65 1.37 -3.45 -3.56 4.77 0.12 -4.86 117.00 112.05 2nr4 n LEU 140 Ca 0.01 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2nr4 n LEU 140 Cb 0.44 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2nr4 n LEU 140 CO 0.55 0.38 0.50 0.21 -1.33 0.00 0.00 177.39 177.70 2nr4 s ASN 141 N -4.24 -0.49 -0.04 -1.43 2.47 -1.19 -4.85 114.94 105.16 2nr4 s ASN 141 Ca -0.07 -0.00 -0.25 0.00 0.42 0.00 0.00 52.86 52.96 2nr4 s ASN 141 Cb 0.02 0.52 0.05 0.00 -1.45 0.00 0.00 41.25 40.40 2nr4 s ASN 141 CO 0.23 -0.85 0.55 0.00 -3.72 0.00 0.00 177.10 173.31 2nr4 s ALA 142 N -3.52 -1.42 0.18 1.71 0.00 -1.26 -0.78 121.76 116.66 2nr4 s ALA 142 Ca 0.02 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2nr4 s ALA 142 Cb -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 2nr4 s ALA 142 CO -0.11 -0.33 0.34 0.20 0.00 0.00 0.00 175.76 175.85 2nr4 s GLY 143 N -1.17 0.41 0.02 0.00 0.00 0.04 -5.00 107.32 101.62 2nr4 s GLY 143 Ca -0.11 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 43.87 2nr4 s GLY 143 CO 0.08 -0.74 -0.16 -0.12 0.00 0.00 0.00 173.10 172.16 2nr4 s PHE 144 N -3.96 1.43 -0.72 1.90 5.36 -1.26 -1.03 117.98 119.69 2nr4 s PHE 144 Ca 0.17 -0.32 0.05 0.00 -0.96 0.00 0.00 56.93 55.86 2nr4 s PHE 144 Cb 0.02 -0.88 0.17 0.00 -0.34 0.00 0.00 43.02 42.00 2nr4 s PHE 144 CO 0.00 0.02 0.52 -0.80 -1.46 0.00 0.00 175.22 173.50 2nr4 s ASN 145 N -0.81 4.91 0.33 6.13 0.01 0.51 -4.93 114.94 121.10 2nr4 s ASN 145 Ca 0.05 -3.87 0.08 0.00 -0.71 0.00 0.00 52.86 48.41 2nr4 s ASN 145 Cb -0.07 -1.66 0.94 0.00 0.41 0.00 0.00 41.25 40.88 2nr4 s ASN 145 CO 0.01 -0.09 1.58 -0.33 -1.51 0.00 0.00 177.10 176.76 2nr4 h GLU 146 N 5.41 0.03 -0.02 -0.60 3.07 -1.93 0.11 114.58 120.65 2nr4 h GLU 146 Ca 0.15 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2nr4 h GLU 146 Cb 0.75 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2nr4 h GLU 146 CO 0.73 0.02 0.07 0.00 -1.40 0.00 0.00 179.01 178.43 2nr4 h ARG 147 N 0.03 0.00 -0.01 2.33 3.08 -1.96 -2.41 114.38 115.44 2nr4 h ARG 147 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.73 2nr4 h ARG 147 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2nr4 h ARG 147 CO -0.85 0.00 -0.50 0.09 -1.07 0.00 0.00 179.97 177.64 2nr4 n ASN 148 N -3.21 1.44 -4.45 7.04 3.02 0.37 -4.69 115.26 114.78 2nr4 n ASN 148 Ca -0.02 -1.14 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 2nr4 n ASN 148 Cb 0.15 0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 2nr4 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nr4 s ILE 149 N -2.62 5.07 -0.00 2.41 1.01 -0.91 -4.88 121.20 121.27 2nr4 s ILE 149 Ca 0.18 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2nr4 s ILE 149 Cb 0.18 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2nr4 s ILE 149 CO 0.62 -0.55 0.05 0.29 0.00 0.00 0.00 174.94 175.35 2nr4 n LYS 150 N 5.66 0.36 -4.36 2.79 4.76 -1.26 -5.00 118.16 121.11 2nr4 n LYS 150 Ca -0.08 -0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.15 2nr4 n LYS 150 Cb 0.46 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 2nr4 n LYS 150 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nr4 s GLU 151 N -2.15 1.38 -0.03 1.97 2.02 -1.26 -5.13 118.70 115.50 2nr4 s GLU 151 Ca -0.01 -1.67 -0.30 0.00 0.02 0.00 0.00 54.97 53.01 2nr4 s GLU 151 Cb 0.01 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.30 2nr4 s GLU 151 CO 0.10 0.03 1.04 -1.17 0.02 0.00 0.00 175.26 175.27 2nr4 s LEU 152 N -3.34 4.33 0.45 1.80 2.96 -1.26 -5.02 118.68 118.59 2nr4 s LEU 152 Ca 0.26 1.68 -0.25 0.00 -0.22 0.00 0.00 54.13 55.60 2nr4 s LEU 152 Cb 0.03 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 2nr4 s LEU 152 CO 0.08 -0.37 1.41 -2.84 -1.32 0.00 0.00 176.35 173.32 2nr4 s PRO 153 N 1.41 3.71 -0.05 0.98 0.02 -1.26 -5.03 135.00 134.78 2nr4 s PRO 153 Ca 0.52 2.38 -0.09 0.00 0.02 0.00 0.00 61.00 63.84 2nr4 s PRO 153 Cb -0.22 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.66 2nr4 s PRO 153 CO 0.25 -0.78 0.21 0.54 -0.33 0.00 0.00 177.00 176.89 2nr4 s VAL 154 N -1.21 0.04 0.23 3.83 0.11 -1.26 -5.13 120.40 117.01 2nr4 s VAL 154 Ca 0.61 -0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 59.03 2nr4 s VAL 154 Cb -0.43 -0.41 -0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2nr4 s VAL 154 CO 0.55 -0.17 1.54 -2.65 -3.33 0.00 0.00 175.10 171.05 2nr4 n PRO 155 N 2.17 2.33 -3.64 1.54 -0.02 -1.26 -4.98 135.00 131.14 2nr4 n PRO 155 Ca -0.17 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 2nr4 n PRO 155 Cb 0.57 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 2nr4 n PRO 155 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nr4 s ASN 156 N 0.62 1.36 0.53 2.55 3.84 -1.26 -5.03 114.94 117.56 2nr4 s ASN 156 Ca 0.71 -0.05 0.31 0.00 0.21 0.00 0.00 52.86 54.04 2nr4 s ASN 156 Cb -0.60 -0.05 1.42 0.00 -0.55 0.00 0.00 41.25 41.48 2nr4 s ASN 156 CO 0.44 -0.28 2.02 0.03 -2.79 0.00 0.00 177.10 176.52 2nr4 h ARG 157 N 8.41 0.00 -0.10 0.43 3.08 -1.93 -1.42 114.38 122.86 2nr4 h ARG 157 Ca -0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2nr4 h ARG 157 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2nr4 h ARG 157 CO 0.19 0.09 -0.07 0.78 -1.07 0.00 0.00 179.97 179.88 2nr4 h GLY 158 N 1.46 0.24 0.98 0.04 0.00 -1.78 -0.31 103.07 103.69 2nr4 h GLY 158 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2nr4 h GLY 158 CO 0.01 0.21 0.29 -2.75 0.00 0.00 0.00 176.54 174.29 2nr4 h PHE 159 N -0.17 0.54 -0.53 5.60 3.57 -1.81 -1.60 116.94 122.54 2nr4 h PHE 159 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2nr4 h PHE 159 Cb 0.56 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2nr4 h PHE 159 CO 0.08 0.33 0.29 -0.91 -2.23 0.00 0.00 178.31 175.88 2nr4 h ASN 160 N 0.58 0.64 -0.11 0.41 2.35 -1.24 -1.85 115.58 116.37 2nr4 h ASN 160 Ca 0.17 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2nr4 h ASN 160 Cb -0.05 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2nr4 h ASN 160 CO -0.05 0.51 -0.25 0.00 -1.65 0.00 0.00 177.43 176.00 2nr4 h ALA 161 N 1.60 1.04 -0.49 -0.83 0.00 -0.56 -2.00 119.26 118.01 2nr4 h ALA 161 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2nr4 h ALA 161 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2nr4 h ALA 161 CO -0.03 0.58 0.22 0.28 0.00 0.00 0.00 179.25 180.30 2nr4 h VAL 162 N 0.48 1.20 -0.09 0.00 2.07 -0.51 0.14 116.25 119.54 2nr4 h VAL 162 Ca 0.07 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2nr4 h VAL 162 Cb 0.69 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2nr4 h VAL 162 CO 0.05 0.23 -0.03 0.25 0.02 0.00 0.00 177.57 178.09 2nr4 h LEU 163 N 0.66 -0.11 -0.39 2.57 5.85 -1.12 -1.01 115.31 121.75 2nr4 h LEU 163 Ca 0.17 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2nr4 h LEU 163 Cb 0.15 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2nr4 h LEU 163 CO -0.02 -0.04 0.20 -0.33 -0.34 0.00 0.00 178.44 177.90 2nr4 h GLU 164 N -0.01 0.56 -0.81 1.25 4.39 -1.22 -2.58 114.58 116.16 2nr4 h GLU 164 Ca 0.05 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2nr4 h GLU 164 Cb 0.09 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2nr4 h GLU 164 CO -0.11 0.48 0.53 0.00 -1.16 0.00 0.00 179.01 178.76 2nr4 h ALA 165 N 1.05 1.51 -0.67 3.43 0.00 -0.38 -0.58 119.26 123.62 2nr4 h ALA 165 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2nr4 h ALA 165 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2nr4 h ALA 165 CO -0.02 0.41 0.10 1.79 0.00 0.00 0.00 179.25 181.53 2nr4 h THR 166 N 1.00 1.26 0.28 0.00 1.35 -1.00 0.17 112.91 115.97 2nr4 h THR 166 Ca 0.32 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 2nr4 h THR 166 Cb 0.03 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2nr4 h THR 166 CO -0.09 0.39 -0.13 0.58 -0.25 0.00 0.00 175.52 176.02 2nr4 h VAL 167 N 1.03 0.75 -0.64 6.82 2.07 -0.82 -2.10 116.25 123.36 2nr4 h VAL 167 Ca 0.20 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2nr4 h VAL 167 Cb 0.45 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2nr4 h VAL 167 CO 0.01 0.04 0.25 0.45 0.02 0.00 0.00 177.57 178.34 2nr4 h HIS 168 N -0.46 0.96 -0.96 1.57 3.86 -1.04 -1.83 115.15 117.25 2nr4 h HIS 168 Ca -0.04 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2nr4 h HIS 168 Cb 0.35 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 2nr4 h HIS 168 CO -0.03 0.74 0.63 0.00 0.86 0.00 0.00 177.93 180.12 2nr4 h ALA 169 N 1.34 1.26 -0.23 2.45 0.00 -0.55 0.20 119.26 123.73 2nr4 h ALA 169 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2nr4 h ALA 169 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2nr4 h ALA 169 CO -0.02 0.52 -0.22 1.79 0.00 0.00 0.00 179.25 181.32 2nr4 h THR 170 N 1.22 1.25 -0.18 0.00 1.35 -0.66 -2.23 112.91 113.67 2nr4 h THR 170 Ca 0.37 -1.17 -0.15 0.00 -0.55 0.00 0.00 66.41 64.92 2nr4 h THR 170 Cb -0.03 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2nr4 h THR 170 CO -0.11 0.37 -0.50 0.03 -0.25 0.00 0.00 175.52 175.05 2nr4 h ARG 171 N 0.38 0.49 -0.50 4.72 3.08 -0.70 -1.45 114.38 120.41 2nr4 h ARG 171 Ca 0.06 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 2nr4 h ARG 171 Cb 0.60 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2nr4 h ARG 171 CO 0.04 0.88 0.20 -0.92 -1.07 0.00 0.00 179.97 179.10 2nr4 h TYR 172 N 0.39 0.71 -0.07 3.04 3.20 -0.39 -1.45 116.97 122.40 2nr4 h TYR 172 Ca 0.02 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 2nr4 h TYR 172 Cb 1.02 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2nr4 h TYR 172 CO 0.04 0.56 -0.46 1.96 -1.64 0.00 0.00 178.16 178.61 2nr4 h GLN 173 N 0.71 0.18 -0.05 1.82 4.20 -1.18 -1.40 115.11 119.38 2nr4 h GLN 173 Ca 0.17 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2nr4 h GLN 173 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2nr4 h GLN 173 CO -0.02 0.61 -0.07 1.25 -0.67 0.00 0.00 178.83 179.93 2nr4 h LEU 174 N 0.14 -0.20 0.00 1.46 5.85 -0.16 -3.40 115.31 119.00 2nr4 h LEU 174 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2nr4 h LEU 174 Cb 0.87 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2nr4 h LEU 174 CO 0.07 -0.09 0.00 0.35 -0.34 0.00 0.00 178.44 178.42 2nr4 n THR 175 N -5.19 0.00 -0.68 1.05 -2.24 -1.10 -5.03 114.28 101.08 2nr4 n THR 175 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2nr4 n THR 175 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2nr4 n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nr4 n GLY 176 N 0.15 0.79 3.76 3.38 0.00 -0.53 -4.98 105.19 107.75 2nr4 n GLY 176 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2nr4 n GLY 176 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nr4 s GLU 177 N -0.34 4.38 0.46 1.61 2.02 -1.26 -4.93 118.70 120.64 2nr4 s GLU 177 Ca 0.00 2.16 0.26 0.00 0.02 0.00 0.00 54.97 57.40 2nr4 s GLU 177 Cb 0.00 -3.11 0.87 0.00 0.10 0.00 0.00 34.13 31.99 2nr4 s GLU 177 CO 0.00 -0.19 1.80 0.93 0.02 0.00 0.00 175.26 177.82 2nr4 h GLU 178 N 4.01 0.00 -1.24 1.61 5.08 -1.97 -2.81 114.58 119.26 2nr4 h GLU 178 Ca -0.48 0.00 0.40 0.00 -1.00 0.00 0.00 59.36 58.29 2nr4 h GLU 178 Cb 1.22 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 2nr4 h GLU 178 CO 0.69 0.16 0.79 -0.22 -1.00 0.00 0.00 179.01 179.43 2nr4 h LYS 179 N 0.00 0.13 0.17 2.33 3.64 -2.00 -1.92 116.57 118.93 2nr4 h LYS 179 Ca -0.00 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 2nr4 h LYS 179 Cb 0.78 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2nr4 h LYS 179 CO 0.02 0.09 -1.37 1.88 -2.27 0.00 0.00 179.45 177.80 2nr4 h TYR 180 N 0.14 0.67 -0.27 1.91 0.05 -1.86 -2.83 116.97 114.79 2nr4 h TYR 180 Ca 0.79 -0.49 -0.08 0.00 0.05 0.00 0.00 58.73 59.00 2nr4 h TYR 180 Cb 2.34 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 40.04 2nr4 h TYR 180 CO -0.01 1.40 -0.16 -0.07 -1.05 0.00 0.00 178.16 178.27 2nr4 h LEU 181 N 0.10 0.46 -0.53 3.88 3.38 -1.52 0.12 115.31 121.21 2nr4 h LEU 181 Ca -0.19 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 2nr4 h LEU 181 Cb 2.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2nr4 h LEU 181 CO 0.23 0.65 -0.08 -0.08 0.09 0.00 0.00 178.44 179.25 2nr4 h GLU 182 N 0.43 0.98 -0.63 1.13 4.81 -1.51 -1.63 114.58 118.17 2nr4 h GLU 182 Ca 0.08 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 58.86 2nr4 h GLU 182 Cb 0.54 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2nr4 h GLU 182 CO 0.03 1.03 0.03 -0.07 -0.73 0.00 0.00 179.01 179.30 2nr4 h LEU 183 N 0.85 1.06 -0.99 1.64 3.38 -1.20 -2.72 115.31 117.33 2nr4 h LEU 183 Ca 0.14 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2nr4 h LEU 183 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2nr4 h LEU 183 CO 0.04 1.09 0.17 0.40 0.09 0.00 0.00 178.44 180.23 2nr4 h ILE 184 N 1.00 1.23 -0.68 1.22 2.04 -0.82 -0.95 117.51 120.55 2nr4 h ILE 184 Ca 0.18 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 2nr4 h ILE 184 Cb 0.53 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2nr4 h ILE 184 CO 0.03 0.31 0.12 0.03 0.00 0.00 0.00 178.15 178.64 2nr4 h ARG 185 N 0.87 1.12 -0.47 2.37 2.47 -1.21 0.13 114.38 119.66 2nr4 h ARG 185 Ca 0.19 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 2nr4 h ARG 185 Cb 0.28 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2nr4 h ARG 185 CO -0.01 1.01 0.19 1.25 0.56 0.00 0.00 179.97 182.98 2nr4 h HIS 186 N 1.05 0.71 -0.20 3.04 -0.00 -1.16 -1.72 115.15 116.88 2nr4 h HIS 186 Ca 0.21 -0.05 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 2nr4 h HIS 186 Cb 0.43 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 2nr4 h HIS 186 CO 0.03 0.60 -0.36 1.88 -0.00 0.00 0.00 177.93 180.09 2nr4 h TYR 187 N 0.62 0.49 -0.92 5.26 0.05 -0.84 -2.32 116.97 119.31 2nr4 h TYR 187 Ca 0.16 -0.13 0.07 0.00 0.05 0.00 0.00 58.73 58.88 2nr4 h TYR 187 Cb 0.19 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 37.75 2nr4 h TYR 187 CO 0.00 0.73 0.58 1.49 -1.05 0.00 0.00 178.16 179.90 2nr4 h GLU 188 N 0.36 1.00 -0.78 4.88 4.22 -0.51 -0.52 114.58 123.23 2nr4 h GLU 188 Ca 0.04 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.44 2nr4 h GLU 188 Cb 0.80 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2nr4 h GLU 188 CO 0.06 0.66 0.50 0.77 -2.18 0.00 0.00 179.01 178.82 2nr4 h SER 189 N 1.03 0.84 0.23 1.04 0.02 -0.77 -1.05 113.55 114.88 2nr4 h SER 189 Ca 0.41 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.20 2nr4 h SER 189 Cb 0.22 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2nr4 h SER 189 CO -0.19 0.59 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.43 2nr4 h LEU 190 N 0.99 0.41 -0.76 5.07 3.38 -1.11 -2.14 115.31 121.15 2nr4 h LEU 190 Ca 0.30 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2nr4 h LEU 190 Cb -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2nr4 h LEU 190 CO -0.10 0.91 0.10 0.00 0.09 0.00 0.00 178.44 179.44 2nr4 h ALA 191 N 1.10 0.97 -0.57 1.53 0.00 -0.73 0.29 119.26 121.85 2nr4 h ALA 191 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2nr4 h ALA 191 Cb 1.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2nr4 h ALA 191 CO 0.10 0.65 -0.07 1.03 0.00 0.00 0.00 179.25 180.95 2nr4 h SER 192 N 0.97 1.04 0.02 0.00 0.87 -1.12 0.12 113.55 115.46 2nr4 h SER 192 Ca 0.19 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 2nr4 h SER 192 Cb 0.43 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2nr4 h SER 192 CO 0.01 1.13 -0.45 0.11 -0.53 0.00 0.00 176.83 177.10 2nr4 h LYS 193 N 0.93 0.26 0.00 2.24 1.57 -1.17 -3.40 116.57 117.01 2nr4 h LYS 193 Ca 0.15 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 2nr4 h LYS 193 Cb 0.64 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2nr4 h LYS 193 CO 0.04 1.05 -2.03 0.00 -0.57 0.00 0.00 179.45 177.94 2nr4 s GLY 195 N -4.64 1.61 0.00 0.00 0.00 0.41 -4.45 107.32 100.25 2nr4 s GLY 195 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2nr4 s GLY 195 CO 0.78 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.27 2nr4 n GLY 196 N -3.20 0.62 0.30 0.20 0.00 -1.26 -4.87 105.19 96.98 2nr4 n GLY 196 Ca 0.08 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.25 2nr4 n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nr4 h ASP 197 N 0.00 0.52 -0.42 1.61 3.32 -1.98 -2.22 116.42 117.23 2nr4 h ASP 197 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2nr4 h ASP 197 Cb 0.00 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2nr4 h ASP 197 CO 0.00 0.22 0.21 0.00 -1.72 0.00 0.00 179.24 177.95 2nr4 h ALA 198 N 1.55 0.55 -0.86 3.45 0.00 -1.99 -0.70 119.26 121.26 2nr4 h ALA 198 Ca 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2nr4 h ALA 198 Cb 0.63 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2nr4 h ALA 198 CO -0.36 0.10 0.52 0.93 0.00 0.00 0.00 179.25 180.45 2nr4 h GLU 199 N 0.54 1.16 -0.42 0.00 3.07 -1.87 0.14 114.58 117.21 2nr4 h GLU 199 Ca 0.15 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 2nr4 h GLU 199 Cb 0.11 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2nr4 h GLU 199 CO -0.02 0.81 -0.19 0.87 -1.40 0.00 0.00 179.01 179.08 2nr4 h LYS 200 N 1.18 0.82 -0.69 2.33 1.57 -1.08 -1.04 116.57 119.66 2nr4 h LYS 200 Ca 0.31 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2nr4 h LYS 200 Cb -0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2nr4 h LYS 200 CO -0.06 0.94 0.27 0.87 -0.57 0.00 0.00 179.45 180.90 2nr4 h LYS 201 N 0.72 1.04 -0.51 3.15 1.57 -0.94 -2.68 116.57 118.92 2nr4 h LYS 201 Ca 0.10 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2nr4 h LYS 201 Cb 0.71 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2nr4 h LYS 201 CO 0.05 0.87 0.33 0.00 -0.57 0.00 0.00 179.45 180.13 2nr4 h ALA 202 N 1.12 0.64 -0.80 3.86 0.00 -0.54 -1.86 119.26 121.68 2nr4 h ALA 202 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nr4 h ALA 202 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2nr4 h ALA 202 CO -0.02 0.10 0.49 0.52 0.00 0.00 0.00 179.25 180.35 2nr4 h MET 203 N 0.68 1.08 -0.98 0.00 2.86 -1.14 -1.86 114.93 115.58 2nr4 h MET 203 Ca 0.18 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2nr4 h MET 203 Cb -0.06 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.32 2nr4 h MET 203 CO -0.04 0.75 0.64 -0.22 1.06 0.00 0.00 176.91 179.10 2nr4 h LYS 204 N 1.10 1.19 -0.48 1.72 3.64 -1.12 -1.85 116.57 120.77 2nr4 h LYS 204 Ca 0.29 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2nr4 h LYS 204 Cb -0.06 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 2nr4 h LYS 204 CO -0.06 0.79 0.09 -0.07 -2.27 0.00 0.00 179.45 177.94 2nr4 h LEU 205 N 1.22 0.69 -0.35 5.20 3.38 -0.58 -1.05 115.31 123.83 2nr4 h LEU 205 Ca 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2nr4 h LEU 205 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2nr4 h LEU 205 CO -0.13 0.70 0.19 0.40 0.09 0.00 0.00 178.44 179.68 2nr4 h ILE 206 N 0.71 1.14 0.36 1.22 2.04 -0.61 -0.96 117.51 121.42 2nr4 h ILE 206 Ca 0.16 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2nr4 h ILE 206 Cb 0.30 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2nr4 h ILE 206 CO 0.00 0.15 -0.20 1.88 0.00 0.00 0.00 178.15 179.97 2nr4 h TYR 207 N 0.43 -0.53 -0.83 1.37 -1.99 -1.16 -1.76 116.97 112.49 2nr4 h TYR 207 Ca 0.12 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.99 2nr4 h TYR 207 Cb 0.07 0.19 -0.10 0.00 2.00 0.00 0.00 36.73 38.89 2nr4 h TYR 207 CO -0.03 -0.32 0.40 0.93 -0.00 0.00 0.00 178.16 179.15 2nr4 h GLU 208 N -0.53 0.56 -0.06 4.88 5.08 -1.20 -1.22 114.58 122.09 2nr4 h GLU 208 Ca -0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2nr4 h GLU 208 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2nr4 h GLU 208 CO 0.05 0.37 -0.17 0.00 -1.00 0.00 0.00 179.01 178.26 2nr4 h ALA 209 N 1.56 1.62 -0.02 3.43 0.00 -0.87 -3.51 119.26 121.47 2nr4 h ALA 209 Ca 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2nr4 h ALA 209 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2nr4 h ALA 209 CO -0.38 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.44