#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nl4 h TYR 24 N 0.00 0.61 0.03 -1.77 3.20 -1.98 -2.25 116.97 114.81 1nl4 h TYR 24 Ca 0.00 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 1nl4 h TYR 24 Cb 0.00 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.15 1nl4 h TYR 24 CO 0.00 0.00 -1.05 0.77 -1.64 0.00 0.00 178.16 176.24 1nl4 h SER 25 N 0.43 0.71 0.43 -2.11 0.02 -1.96 -3.22 113.55 107.86 1nl4 h SER 25 Ca 0.51 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1nl4 h SER 25 Cb 0.89 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1nl4 h SER 25 CO -0.48 1.41 0.00 0.18 -1.14 0.00 0.00 176.83 176.79 1nl4 n LEU 26 N -3.78 0.00 -4.76 5.07 4.77 -0.89 -4.81 117.00 112.61 1nl4 n LEU 26 Ca -0.09 0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.89 1nl4 n LEU 26 Cb 0.89 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1nl4 n LEU 26 CO 0.54 -0.13 0.77 -0.13 -1.33 0.00 0.00 177.39 177.11 1nl4 s ARG 27 N -2.68 2.76 0.28 3.23 0.52 -0.97 -4.97 118.95 117.12 1nl4 s ARG 27 Ca 0.16 1.55 0.11 0.00 -0.52 0.00 0.00 55.73 57.02 1nl4 s ARG 27 Cb 0.13 -1.93 0.39 0.00 0.52 0.00 0.00 34.95 34.06 1nl4 s ARG 27 CO 0.30 -1.31 1.63 -1.35 0.02 0.00 0.00 175.30 174.60 1nl4 h PRO 28 N 0.22 0.00 0.00 3.54 0.11 -1.91 -3.11 132.00 130.86 1nl4 h PRO 28 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1nl4 h PRO 28 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1nl4 h PRO 28 CO 0.54 0.59 -0.37 1.05 -0.21 0.00 0.00 178.00 179.60 1nl4 h GLU 29 N 0.00 0.00 0.00 1.05 9.09 -1.95 -3.03 114.58 119.74 1nl4 h GLU 29 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 1nl4 h GLU 29 Cb 1.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1nl4 h GLU 29 CO 0.08 0.37 -0.00 1.25 0.05 0.00 0.00 179.01 180.75 1nl4 h HIS 30 N 0.00 0.00 0.00 2.06 2.76 -1.83 0.15 115.15 118.29 1nl4 h HIS 30 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1nl4 h HIS 30 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1nl4 h HIS 30 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 1nl4 n ALA 31 N -2.16 1.80 0.45 5.26 0.00 -1.15 -1.68 120.51 123.02 1nl4 n ALA 31 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1nl4 n ALA 31 Cb 0.08 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.42 1nl4 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nl4 n ARG 32 N -1.24 0.37 0.00 0.00 1.74 0.04 -3.42 116.66 114.15 1nl4 n ARG 32 Ca 0.07 0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.24 1nl4 n ARG 32 Cb 0.09 -1.70 0.09 0.00 -1.02 0.00 0.00 32.46 29.92 1nl4 n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nl4 n GLU 33 N -2.22 0.73 -1.24 5.56 -0.58 -0.68 -4.83 120.64 117.38 1nl4 n GLU 33 Ca 0.02 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 1nl4 n GLU 33 Cb 0.47 -1.06 0.10 0.00 -0.57 0.00 0.00 31.44 30.38 1nl4 n GLU 33 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1nl4 s ARG 34 N -2.00 2.06 0.26 3.49 6.06 -1.22 -4.02 118.95 123.57 1nl4 s ARG 34 Ca 0.04 1.36 -0.30 0.00 -2.50 0.00 0.00 55.73 54.33 1nl4 s ARG 34 Cb 0.02 -1.86 -0.11 0.00 0.06 0.00 0.00 34.95 33.06 1nl4 s ARG 34 CO 0.03 -1.82 1.60 -1.17 -2.50 0.00 0.00 175.30 171.44 1nl4 s LEU 35 N -5.80 4.36 -0.71 -0.88 2.96 -1.26 -4.96 118.68 112.39 1nl4 s LEU 35 Ca 0.65 2.87 -0.16 0.00 -0.22 0.00 0.00 54.13 57.27 1nl4 s LEU 35 Cb -0.20 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.02 1nl4 s LEU 35 CO 0.53 -0.89 0.73 -1.10 -1.32 0.00 0.00 176.35 174.30 1nl4 s GLN 36 N -0.05 3.30 0.53 1.98 -1.52 -1.26 -4.90 119.66 117.74 1nl4 s GLN 36 Ca 0.65 -1.88 0.35 0.00 -1.95 0.00 0.00 55.36 52.54 1nl4 s GLN 36 Cb -0.47 -4.42 1.72 0.00 -0.22 0.00 0.00 33.01 29.63 1nl4 s GLN 36 CO 0.43 -1.43 2.06 0.22 -0.25 0.00 0.00 175.29 176.32 1nl4 h ASP 37 N 8.57 0.00 0.00 5.90 -0.00 -1.95 -3.45 116.42 125.49 1nl4 h ASP 37 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.93 1nl4 h ASP 37 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.40 1nl4 h ASP 37 CO 0.96 0.00 0.00 0.47 -0.00 0.00 0.00 179.24 180.67 1nl4 n ASP 38 N -2.87 -1.08 0.00 2.28 8.00 -1.26 -2.14 116.55 119.48 1nl4 n ASP 38 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1nl4 n ASP 38 Cb 0.17 -2.02 0.00 0.00 -0.02 0.00 0.00 41.12 39.24 1nl4 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nl4 n SER 39 N -0.15 0.00 -4.40 -2.24 7.64 -1.26 -4.92 113.62 108.29 1nl4 n SER 39 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1nl4 n SER 39 Cb 0.08 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1nl4 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nl4 s VAL 40 N -2.28 5.23 -0.05 0.44 1.01 -0.91 -5.02 120.40 118.83 1nl4 s VAL 40 Ca 0.00 -2.29 -0.26 0.00 0.00 0.00 0.00 61.98 59.43 1nl4 s VAL 40 Cb 0.00 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1nl4 s VAL 40 CO 0.00 -1.34 0.79 -1.83 0.00 0.00 0.00 175.10 172.72 1nl4 s GLU 41 N 1.17 4.48 0.37 2.72 -1.05 -1.26 -4.94 118.70 120.18 1nl4 s GLU 41 Ca 0.30 1.05 0.05 0.00 -0.15 0.00 0.00 54.97 56.22 1nl4 s GLU 41 Cb -0.07 -3.45 -0.07 0.00 -0.44 0.00 0.00 34.13 30.10 1nl4 s GLU 41 CO -0.07 0.03 0.03 0.95 0.95 0.00 0.00 175.26 177.15 1nl4 s THR 42 N 0.88 1.58 0.44 1.83 -4.23 -1.26 -4.98 115.64 109.90 1nl4 s THR 42 Ca 0.42 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1nl4 s THR 42 Cb -0.19 -2.89 0.45 0.00 1.34 0.00 0.00 72.50 71.20 1nl4 s THR 42 CO 0.21 -0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.63 1nl4 h VAL 43 N 1.95 0.44 0.12 2.29 2.07 -2.00 0.27 116.25 121.38 1nl4 h VAL 43 Ca -0.42 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1nl4 h VAL 43 Cb 1.24 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1nl4 h VAL 43 CO 0.75 0.05 -0.06 0.74 0.02 0.00 0.00 177.57 179.07 1nl4 h THR 44 N 0.25 1.08 0.15 2.57 2.02 -1.95 -2.75 112.91 114.28 1nl4 h THR 44 Ca 0.62 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1nl4 h THR 44 Cb 1.85 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 69.86 1nl4 h THR 44 CO -0.24 0.22 -0.53 0.28 0.37 0.00 0.00 175.52 175.62 1nl4 h SER 45 N -0.60 -1.57 -0.85 4.18 0.02 -1.36 -1.51 113.55 111.85 1nl4 h SER 45 Ca -0.02 0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1nl4 h SER 45 Cb 0.47 0.58 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 1nl4 h SER 45 CO 0.03 -0.56 -0.50 -0.38 -1.14 0.00 0.00 176.83 174.27 1nl4 n ILE 46 N -5.45 -0.58 0.01 3.27 5.41 -0.47 -0.53 119.36 121.01 1nl4 n ILE 46 Ca -0.09 2.15 -0.10 0.00 1.00 0.00 0.00 62.75 65.71 1nl4 n ILE 46 Cb 0.41 -2.67 -0.05 0.00 -0.71 0.00 0.00 39.64 36.63 1nl4 n ILE 46 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1nl4 h GLU 47 N 0.00 -0.04 0.14 0.38 4.39 -1.21 -0.30 114.58 117.94 1nl4 h GLU 47 Ca 0.14 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1nl4 h GLU 47 Cb 0.35 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1nl4 h GLU 47 CO -0.80 -0.03 -0.49 0.37 -1.16 0.00 0.00 179.01 176.90 1nl4 h GLN 48 N -0.05 -0.71 -0.86 2.33 5.75 -0.11 0.65 115.11 122.11 1nl4 h GLN 48 Ca 0.05 0.05 0.22 0.00 -0.15 0.00 0.00 58.65 58.82 1nl4 h GLN 48 Cb 0.12 0.16 -0.14 0.00 1.07 0.00 0.00 27.48 28.69 1nl4 h GLN 48 CO -0.11 -0.47 0.25 0.00 -2.65 0.00 0.00 178.83 175.85 1nl4 h ALA 49 N -0.41 1.26 -0.12 3.38 0.00 -0.58 -0.27 119.26 122.52 1nl4 h ALA 49 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1nl4 h ALA 49 Cb 0.74 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1nl4 h ALA 49 CO -0.26 -0.44 -0.16 0.87 0.00 0.00 0.00 179.25 179.27 1nl4 h LYS 50 N 0.24 -0.19 -0.29 0.00 1.57 0.92 -1.55 116.57 117.27 1nl4 h LYS 50 Ca 0.54 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1nl4 h LYS 50 Cb 1.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1nl4 h LYS 50 CO -0.62 -0.13 0.19 0.28 -0.57 0.00 0.00 179.45 178.60 1nl4 h VAL 51 N -0.20 1.08 -0.68 0.50 2.07 -0.18 -2.21 116.25 116.63 1nl4 h VAL 51 Ca 0.09 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.61 1nl4 h VAL 51 Cb 0.33 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1nl4 h VAL 51 CO -0.24 0.07 0.14 -0.33 0.02 0.00 0.00 177.57 177.24 1nl4 h GLU 52 N 0.39 0.24 -0.00 1.57 5.08 -0.50 0.55 114.58 121.91 1nl4 h GLU 52 Ca 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nl4 h GLU 52 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nl4 h GLU 52 CO -0.02 0.16 0.00 0.93 -1.00 0.00 0.00 179.01 179.08 1nl4 h GLU 53 N 0.25 0.00 -0.77 2.33 4.39 -0.93 0.36 114.58 120.21 1nl4 h GLU 53 Ca 0.37 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.20 1nl4 h GLU 53 Cb 0.61 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1nl4 h GLU 53 CO -0.48 0.17 0.51 0.87 -1.16 0.00 0.00 179.01 178.92 1nl4 h LYS 54 N -0.16 0.51 -0.07 2.33 1.57 -0.48 -0.73 116.57 119.54 1nl4 h LYS 54 Ca 0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1nl4 h LYS 54 Cb 0.16 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1nl4 h LYS 54 CO -0.00 0.34 -0.60 0.82 -0.57 0.00 0.00 179.45 179.44 1nl4 h ILE 55 N 0.52 1.37 -0.51 1.86 1.08 0.82 -3.08 117.51 119.58 1nl4 h ILE 55 Ca 0.37 -1.95 0.10 0.00 -0.39 0.00 0.00 64.86 63.00 1nl4 h ILE 55 Cb 0.72 2.32 -0.10 0.00 -3.07 0.00 0.00 36.82 36.69 1nl4 h ILE 55 CO -0.13 0.58 -0.17 -0.61 -0.69 0.00 0.00 178.15 177.13 1nl4 h GLN 56 N 0.10 -0.05 -0.31 2.37 5.75 0.11 -0.01 115.11 123.06 1nl4 h GLN 56 Ca -0.06 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1nl4 h GLN 56 Cb 1.26 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.75 1nl4 h GLN 56 CO 0.12 -0.04 -0.49 0.93 -2.65 0.00 0.00 178.83 176.70 1nl4 h GLU 57 N -0.06 -0.42 -0.84 1.69 5.08 -1.26 0.48 114.58 119.25 1nl4 h GLU 57 Ca 0.24 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 1nl4 h GLU 57 Cb 0.43 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1nl4 h GLU 57 CO -0.55 -0.28 0.44 0.28 -1.00 0.00 0.00 179.01 177.91 1nl4 h VAL 58 N -0.43 0.76 0.90 3.13 2.07 -1.10 0.32 116.25 121.90 1nl4 h VAL 58 Ca 0.09 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1nl4 h VAL 58 Cb 0.62 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1nl4 h VAL 58 CO -0.53 0.12 -0.44 -0.26 0.02 0.00 0.00 177.57 176.48 1nl4 h PHE 59 N 0.65 -1.13 0.00 1.57 0.05 0.10 -1.83 116.94 116.35 1nl4 h PHE 59 Ca 0.45 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.22 1nl4 h PHE 59 Cb 0.60 0.38 0.00 0.00 2.00 0.00 0.00 35.95 38.93 1nl4 h PHE 59 CO -0.09 -0.70 0.00 0.43 -0.18 0.00 0.00 178.31 177.77 1nl4 n SER 60 N -5.61 0.00 -0.31 2.17 7.64 0.14 -3.58 113.62 114.07 1nl4 n SER 60 Ca -0.16 -0.28 0.03 0.00 1.01 0.00 0.00 58.87 59.47 1nl4 n SER 60 Cb 0.48 -0.03 0.10 0.00 -1.01 0.00 0.00 64.21 63.75 1nl4 n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1nl4 h SER 61 N 0.00 -0.87 0.69 6.43 0.87 0.49 -2.34 113.55 118.83 1nl4 h SER 61 Ca 0.00 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1nl4 h SER 61 Cb 0.01 0.55 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1nl4 h SER 61 CO 0.00 -0.29 -0.33 1.88 -0.53 0.00 0.00 176.83 177.56 1nl4 h TYR 62 N -0.01 -0.86 -0.51 2.24 -1.99 -1.78 -3.04 116.97 111.02 1nl4 h TYR 62 Ca 0.40 -0.02 0.10 0.00 2.00 0.00 0.00 58.73 61.21 1nl4 h TYR 62 Cb 0.62 0.29 -0.10 0.00 2.00 0.00 0.00 36.73 39.54 1nl4 h TYR 62 CO -0.69 -0.53 -0.25 0.87 -0.00 0.00 0.00 178.16 177.56 1nl4 h LYS 63 N -0.96 -0.13 -0.84 4.88 1.57 -1.70 0.69 116.57 120.08 1nl4 h LYS 63 Ca -0.10 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1nl4 h LYS 63 Cb 0.72 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 1nl4 h LYS 63 CO 0.16 -0.09 0.54 0.74 -0.57 0.00 0.00 179.45 180.24 1nl4 h PHE 64 N -0.13 0.92 -0.01 -1.35 -1.00 -1.52 -2.79 116.94 111.06 1nl4 h PHE 64 Ca 0.23 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.03 1nl4 h PHE 64 Cb 0.50 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1nl4 h PHE 64 CO -0.53 0.47 -0.46 0.09 -1.61 0.00 0.00 178.31 176.27 1nl4 n ASN 65 N -4.49 0.98 -3.12 2.17 3.02 -0.47 -4.99 115.26 108.35 1nl4 n ASN 65 Ca 0.13 -0.77 -0.15 0.00 -0.03 0.00 0.00 54.58 53.76 1nl4 n ASN 65 Cb 0.23 0.33 0.07 0.00 -0.61 0.00 0.00 39.78 39.80 1nl4 n ASN 65 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nl4 n HIS 66 N -0.96 -2.01 -4.22 3.10 8.25 0.11 -5.03 115.22 114.47 1nl4 n HIS 66 Ca 0.09 0.81 -0.15 0.00 -0.26 0.00 0.00 57.72 58.21 1nl4 n HIS 66 Cb 0.36 -4.52 -0.10 0.00 1.12 0.00 0.00 29.99 26.85 1nl4 n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nl4 s LEU 67 N -5.65 2.47 0.08 2.41 1.43 -1.24 -5.09 118.68 113.08 1nl4 s LEU 67 Ca 0.11 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 1nl4 s LEU 67 Cb -0.01 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 1nl4 s LEU 67 CO 0.65 -0.28 0.91 -0.69 0.23 0.00 0.00 176.35 177.17 1nl4 s VAL 68 N -2.85 4.60 0.13 -1.59 1.01 -1.26 -4.73 120.40 115.71 1nl4 s VAL 68 Ca 0.11 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1nl4 s VAL 68 Cb -0.00 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1nl4 s VAL 68 CO 0.01 0.31 1.53 -2.84 0.00 0.00 0.00 175.10 174.11 1nl4 s PRO 69 N 0.11 4.24 -0.30 2.72 0.02 -1.26 -4.98 135.00 135.54 1nl4 s PRO 69 Ca 0.45 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 1nl4 s PRO 69 Cb -0.22 -3.25 0.10 0.00 0.02 0.00 0.00 34.50 31.15 1nl4 s PRO 69 CO 0.28 -0.58 0.12 0.50 -0.33 0.00 0.00 177.00 176.99 1nl4 s ARG 70 N 1.38 0.44 -0.38 5.54 3.52 -1.26 -5.10 118.95 123.09 1nl4 s ARG 70 Ca 0.69 -0.82 -0.28 0.00 -0.13 0.00 0.00 55.73 55.19 1nl4 s ARG 70 Cb -0.41 -1.53 -0.01 0.00 -1.56 0.00 0.00 34.95 31.45 1nl4 s ARG 70 CO 0.31 -1.02 1.66 -0.51 -0.81 0.00 0.00 175.30 174.93 1nl4 s LEU 71 N 1.82 3.52 -0.01 -0.88 1.02 -1.26 -4.97 118.68 117.92 1nl4 s LEU 71 Ca 0.10 1.05 0.04 0.00 0.02 0.00 0.00 54.13 55.34 1nl4 s LEU 71 Cb -0.17 -3.45 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 1nl4 s LEU 71 CO -0.30 -1.65 -0.13 -0.69 0.02 0.00 0.00 176.35 173.60 1nl4 s VAL 72 N 6.47 1.05 -0.47 -1.59 1.01 -1.26 -2.08 120.40 123.53 1nl4 s VAL 72 Ca 0.72 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1nl4 s VAL 72 Cb -0.18 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1nl4 s VAL 72 CO 0.32 0.30 0.74 -0.22 0.00 0.00 0.00 175.10 176.24 1nl4 s LEU 73 N -0.26 4.42 -0.13 3.92 2.96 -1.26 -4.92 118.68 123.42 1nl4 s LEU 73 Ca 0.04 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1nl4 s LEU 73 Cb -0.06 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1nl4 s LEU 73 CO -0.00 -0.92 1.11 0.00 -1.32 0.00 0.00 176.35 175.21 1nl4 n GLN 74 N 6.61 0.35 -0.26 1.98 1.13 -1.26 -4.61 117.38 121.32 1nl4 n GLN 74 Ca -0.00 -0.52 0.06 0.00 -1.94 0.00 0.00 57.00 54.59 1nl4 n GLN 74 Cb 0.47 -1.93 0.16 0.00 0.11 0.00 0.00 30.24 29.06 1nl4 n GLN 74 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1nl4 h ARG 75 N 7.07 0.09 0.25 -1.09 2.43 -1.96 0.30 114.38 121.47 1nl4 h ARG 75 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1nl4 h ARG 75 Cb 0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1nl4 h ARG 75 CO 0.90 0.06 -0.12 0.93 -1.51 0.00 0.00 179.97 180.23 1nl4 h GLU 76 N 0.09 -0.33 -0.81 0.20 4.39 -1.99 0.25 114.58 116.39 1nl4 h GLU 76 Ca 0.42 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.28 1nl4 h GLU 76 Cb 0.75 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.41 1nl4 h GLU 76 CO -0.69 -0.02 0.53 -0.22 -1.16 0.00 0.00 179.01 177.45 1nl4 h LYS 77 N -0.64 0.56 -0.28 2.33 1.63 -1.72 0.26 116.57 118.72 1nl4 h LYS 77 Ca -0.03 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 1nl4 h LYS 77 Cb 0.46 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1nl4 h LYS 77 CO 0.06 0.37 -0.46 0.45 -3.45 0.00 0.00 179.45 176.42 1nl4 h HIS 78 N 0.58 1.00 -0.79 1.91 3.86 -0.12 -2.67 115.15 118.92 1nl4 h HIS 78 Ca 0.40 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1nl4 h HIS 78 Cb 0.71 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1nl4 h HIS 78 CO -0.00 1.15 0.50 0.35 0.86 0.00 0.00 177.93 180.79 1nl4 h PHE 79 N 0.57 1.00 -0.10 2.45 3.57 0.27 -0.01 116.94 124.69 1nl4 h PHE 79 Ca 0.02 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1nl4 h PHE 79 Cb 1.07 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1nl4 h PHE 79 CO 0.08 0.65 -0.61 0.45 -2.23 0.00 0.00 178.31 176.65 1nl4 h HIS 80 N 1.07 0.46 0.69 0.41 3.86 -0.83 0.20 115.15 121.02 1nl4 h HIS 80 Ca 0.29 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1nl4 h HIS 80 Cb -0.09 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.30 1nl4 h HIS 80 CO 0.00 0.87 -0.33 -0.92 0.86 0.00 0.00 177.93 178.41 1nl4 h TYR 81 N 0.26 -0.86 0.19 2.45 3.20 -0.95 -1.95 116.97 119.32 1nl4 h TYR 81 Ca -0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1nl4 h TYR 81 Cb 1.13 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 1nl4 h TYR 81 CO 0.03 -0.52 -0.11 -0.07 -1.64 0.00 0.00 178.16 175.85 1nl4 h LEU 82 N -1.02 -0.28 -0.76 2.82 3.38 -1.00 -1.94 115.31 116.51 1nl4 h LEU 82 Ca -0.10 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.05 1nl4 h LEU 82 Cb 0.74 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 1nl4 h LEU 82 CO 0.16 -0.19 -0.13 0.50 0.09 0.00 0.00 178.44 178.87 1nl4 h LYS 83 N -0.29 0.02 0.81 1.13 3.64 -0.58 -1.67 116.57 119.64 1nl4 h LYS 83 Ca -0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1nl4 h LYS 83 Cb 0.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nl4 h LYS 83 CO 0.02 0.02 -0.45 0.00 -2.27 0.00 0.00 179.45 176.77 1nl4 h ARG 84 N 0.03 -1.12 -0.99 1.90 2.47 -0.86 -3.16 114.38 112.65 1nl4 h ARG 84 Ca 0.38 0.08 0.27 0.00 -1.26 0.00 0.00 59.98 59.45 1nl4 h ARG 84 Cb 0.62 0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 29.14 1nl4 h ARG 84 CO -0.75 -0.75 0.69 0.78 0.56 0.00 0.00 179.97 180.50 1nl4 h GLY 85 N -1.16 0.37 2.00 0.04 0.00 -0.67 0.27 103.07 103.92 1nl4 h GLY 85 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1nl4 h GLY 85 CO 0.15 -0.03 0.00 -2.00 0.00 0.00 0.00 176.54 174.66 1nl4 h LEU 86 N 0.14 0.00 0.00 3.11 5.85 -1.29 -3.08 115.31 120.04 1nl4 h LEU 86 Ca 0.49 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.89 1nl4 h LEU 86 Cb 1.71 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1nl4 h LEU 86 CO -0.09 0.00 -2.25 -1.14 -0.34 0.00 0.00 178.44 174.63 1nl4 n ARG 87 N -2.84 0.56 -3.54 1.25 3.00 0.93 -5.07 116.66 110.94 1nl4 n ARG 87 Ca -0.02 0.12 -0.11 0.00 -0.00 0.00 0.00 57.85 57.85 1nl4 n ARG 87 Cb 0.09 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.07 1nl4 n ARG 87 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1nl4 s GLN 88 N -2.44 0.73 0.10 -0.14 -2.07 -1.06 -5.16 119.66 109.62 1nl4 s GLN 88 Ca -0.29 -0.00 0.03 0.00 -1.82 0.00 0.00 55.36 53.28 1nl4 s GLN 88 Cb 0.08 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1nl4 s GLN 88 CO 0.51 -0.26 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.61 1nl4 s LEU 89 N -1.61 2.44 0.85 2.60 1.43 -1.26 -4.18 118.68 118.95 1nl4 s LEU 89 Ca -0.00 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 1nl4 s LEU 89 Cb -0.01 -0.26 0.10 0.00 0.03 0.00 0.00 46.19 46.06 1nl4 s LEU 89 CO -0.01 -0.31 1.10 0.42 0.23 0.00 0.00 176.35 177.78 1nl4 s THR 90 N -2.74 2.77 -1.93 5.49 -4.23 -1.26 -4.86 115.64 108.89 1nl4 s THR 90 Ca 0.07 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1nl4 s THR 90 Cb -0.01 -2.91 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1nl4 s THR 90 CO -0.01 -0.32 0.68 -0.90 -0.54 0.00 0.00 174.62 173.53 1nl4 n ASP 91 N -3.63 0.00 0.16 3.99 3.85 -1.26 -0.65 116.55 119.01 1nl4 n ASP 91 Ca 0.07 -0.04 0.13 0.00 -0.71 0.00 0.00 54.79 54.24 1nl4 n ASP 91 Cb 0.56 -0.04 0.49 0.00 -1.35 0.00 0.00 41.12 40.79 1nl4 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nl4 h ALA 92 N 2.17 1.00 -0.33 2.12 0.00 -2.06 -2.45 119.26 119.71 1nl4 h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nl4 h ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nl4 h ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1nl4 n TYR 93 N -2.49 0.43 -0.31 0.00 4.02 0.17 -4.22 117.16 114.76 1nl4 n TYR 93 Ca 0.03 -0.22 0.06 0.00 -0.01 0.00 0.00 57.90 57.76 1nl4 n TYR 93 Cb 0.31 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.89 1nl4 n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1nl4 h GLU 94 N 3.47 0.95 0.00 -0.72 5.08 -1.61 -0.43 114.58 121.33 1nl4 h GLU 94 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1nl4 h GLU 94 Cb 0.77 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nl4 h GLU 94 CO 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1nl4 n LEU 96 N -0.72 0.55 0.17 0.00 -0.00 -0.17 -4.72 117.00 112.11 1nl4 n LEU 96 Ca 0.00 -0.55 0.05 0.00 -0.00 0.00 0.00 56.01 55.51 1nl4 n LEU 96 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 43.69 1nl4 n LEU 96 CO 0.00 0.14 0.79 -0.67 -0.00 0.00 0.00 177.39 177.65 1nl4 n ASP 97 N -0.12 0.25 -1.16 1.96 2.03 0.98 0.13 116.55 120.61 1nl4 n ASP 97 Ca 0.00 0.48 0.01 0.00 0.52 0.00 0.00 54.79 55.80 1nl4 n ASP 97 Cb 0.38 -0.37 0.24 0.00 -0.72 0.00 0.00 41.12 40.65 1nl4 n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nl4 n ALA 98 N -1.48 3.76 -2.35 -1.67 0.00 -1.26 -4.45 120.51 113.05 1nl4 n ALA 98 Ca -0.01 -2.65 0.02 0.00 0.00 0.00 0.00 53.44 50.80 1nl4 n ALA 98 Cb 0.43 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1nl4 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nl4 n SER 99 N -0.74 0.55 -0.13 0.00 7.64 0.34 -4.07 113.62 117.21 1nl4 n SER 99 Ca 0.30 -1.97 -0.04 0.00 1.01 0.00 0.00 58.87 58.16 1nl4 n SER 99 Cb 1.03 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 64.08 1nl4 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nl4 h ARG 100 N 0.70 0.10 -0.70 1.43 3.08 -1.09 0.14 114.38 118.03 1nl4 h ARG 100 Ca -0.25 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.00 1nl4 h ARG 100 Cb 1.74 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.74 1nl4 h ARG 100 CO 0.03 0.06 0.56 -1.35 -1.07 0.00 0.00 179.97 178.20 1nl4 h PRO 101 N 0.10 0.00 -0.09 0.04 0.11 -1.83 0.27 132.00 130.60 1nl4 h PRO 101 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1nl4 h PRO 101 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1nl4 h PRO 101 CO -0.35 0.00 0.01 -1.49 -0.21 0.00 0.00 178.00 175.97 1nl4 h TRP 102 N 0.00 0.15 -0.63 0.65 4.06 -1.04 -0.87 115.95 118.27 1nl4 h TRP 102 Ca 0.33 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.35 1nl4 h TRP 102 Cb 1.45 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.53 1nl4 h TRP 102 CO 0.00 0.35 0.42 -0.07 -3.56 0.00 0.00 178.44 175.58 1nl4 h LEU 103 N -0.09 0.44 0.71 -4.49 3.38 -0.25 0.33 115.31 115.34 1nl4 h LEU 103 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nl4 h LEU 103 Cb 0.28 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nl4 h LEU 103 CO 0.00 0.27 -0.34 0.00 0.09 0.00 0.00 178.44 178.46 1nl4 h TYR 105 N -1.02 -0.94 -0.60 0.00 3.20 0.07 1.12 116.97 118.80 1nl4 h TYR 105 Ca -0.10 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.84 1nl4 h TYR 105 Cb 0.75 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 1nl4 h TYR 105 CO -0.01 -0.42 -0.46 -1.49 -1.64 0.00 0.00 178.16 174.13 1nl4 h TRP 106 N -0.61 -1.44 0.19 -3.82 6.55 -0.46 0.50 115.95 116.86 1nl4 h TRP 106 Ca -0.03 0.09 0.01 0.00 0.95 0.00 0.00 58.89 59.90 1nl4 h TRP 106 Cb 0.55 0.71 -0.02 0.00 -0.86 0.00 0.00 29.16 29.53 1nl4 h TRP 106 CO -0.25 -0.33 -0.23 0.82 -1.05 0.00 0.00 178.44 177.40 1nl4 h ILE 107 N -0.13 0.50 0.00 1.49 2.04 -1.10 -0.46 117.51 119.85 1nl4 h ILE 107 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1nl4 h ILE 107 Cb 0.39 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1nl4 h ILE 107 CO -0.63 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.70 1nl4 n LEU 108 N -5.35 0.00 -0.12 1.44 4.32 0.38 -1.75 117.00 115.92 1nl4 n LEU 108 Ca -0.08 0.37 -0.19 0.00 -0.02 0.00 0.00 56.01 56.10 1nl4 n LEU 108 Cb 0.26 -0.37 -0.10 0.00 -1.62 0.00 0.00 43.42 41.58 1nl4 n LEU 108 CO 0.28 -0.37 -1.28 1.57 -1.22 0.00 0.00 177.39 176.37 1nl4 n HIS 109 N -1.37 0.00 0.07 -1.77 -0.00 0.16 -3.47 115.22 108.84 1nl4 n HIS 109 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1nl4 n HIS 109 Cb 0.00 -0.89 -0.05 0.00 -0.12 0.00 0.00 29.99 28.93 1nl4 n HIS 109 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1nl4 h SER 110 N -0.23 -0.80 -0.24 0.26 0.02 -0.56 1.22 113.55 113.21 1nl4 h SER 110 Ca -0.55 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1nl4 h SER 110 Cb 1.74 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 64.53 1nl4 h SER 110 CO -0.16 -0.34 -0.28 -0.07 -1.14 0.00 0.00 176.83 174.84 1nl4 h LEU 111 N -0.43 -0.89 -0.75 5.07 3.38 -1.55 0.79 115.31 120.93 1nl4 h LEU 111 Ca 0.06 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1nl4 h LEU 111 Cb 0.50 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 1nl4 h LEU 111 CO -0.22 -0.31 -0.21 -0.08 0.09 0.00 0.00 178.44 177.71 1nl4 h GLU 112 N -0.29 -0.02 -0.58 1.13 4.81 -0.88 0.34 114.58 119.09 1nl4 h GLU 112 Ca 0.13 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1nl4 h GLU 112 Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1nl4 h GLU 112 CO -0.41 -0.01 -0.01 -0.07 -0.73 0.00 0.00 179.01 177.79 1nl4 h LEU 113 N -0.02 1.01 0.00 1.64 3.38 0.43 -0.99 115.31 120.76 1nl4 h LEU 113 Ca 0.35 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nl4 h LEU 113 Cb 0.56 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nl4 h LEU 113 CO -0.78 1.08 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1nl4 n LEU 114 N -4.21 0.00 -1.32 1.67 4.77 0.24 -1.93 117.00 116.22 1nl4 n LEU 114 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 1nl4 n LEU 114 Cb 0.35 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1nl4 n LEU 114 CO 0.44 0.00 -0.16 -0.67 -1.33 0.00 0.00 177.39 175.67 1nl4 n ASP 115 N -0.76 -5.56 -4.85 -1.43 2.03 0.29 -4.95 116.55 101.32 1nl4 n ASP 115 Ca 0.07 0.43 -0.30 0.00 0.52 0.00 0.00 54.79 55.51 1nl4 n ASP 115 Cb 0.03 -4.58 0.05 0.00 -0.72 0.00 0.00 41.12 35.91 1nl4 n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nl4 s GLU 116 N -3.46 2.82 0.45 -0.67 0.41 -0.24 -4.99 118.70 113.02 1nl4 s GLU 116 Ca 0.00 0.67 -0.22 0.00 -0.41 0.00 0.00 54.97 55.01 1nl4 s GLU 116 Cb 0.00 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.26 1nl4 s GLU 116 CO 0.00 -1.11 1.03 -1.25 -0.49 0.00 0.00 175.26 173.44 1nl4 s PRO 117 N -5.20 3.99 -0.65 0.39 0.04 -1.26 -4.52 135.00 127.78 1nl4 s PRO 117 Ca 0.58 1.38 0.05 0.00 0.04 0.00 0.00 61.00 63.05 1nl4 s PRO 117 Cb -0.13 -2.27 0.17 0.00 0.04 0.00 0.00 34.50 32.32 1nl4 s PRO 117 CO 0.54 -0.27 0.48 -0.89 0.04 0.00 0.00 177.00 176.89 1nl4 n ILE 118 N -0.60 1.17 -1.19 0.56 2.08 -1.26 -5.02 119.36 115.10 1nl4 n ILE 118 Ca 0.07 -4.63 -0.47 0.00 0.56 0.00 0.00 62.75 58.28 1nl4 n ILE 118 Cb 0.52 -2.09 -0.06 0.00 -0.75 0.00 0.00 39.64 37.25 1nl4 n ILE 118 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1nl4 n PRO 119 N 2.05 0.00 0.00 0.38 -0.02 -1.26 -4.53 135.00 131.62 1nl4 n PRO 119 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1nl4 n PRO 119 Cb 0.38 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1nl4 n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nl4 n GLN 120 N 1.47 0.00 -0.10 -0.52 6.02 -1.26 -0.46 117.38 122.53 1nl4 n GLN 120 Ca 0.17 0.18 -0.14 0.00 -0.01 0.00 0.00 57.00 57.20 1nl4 n GLN 120 Cb 0.04 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.60 1nl4 n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1nl4 n ILE 121 N -1.10 1.14 -0.12 5.09 -0.00 -1.26 -3.97 119.36 119.14 1nl4 n ILE 121 Ca 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 62.75 62.21 1nl4 n ILE 121 Cb 0.11 -1.18 -0.02 0.00 -0.00 0.00 0.00 39.64 38.54 1nl4 n ILE 121 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 1nl4 h VAL 122 N 0.00 1.23 -0.77 1.39 3.04 -1.09 -1.43 116.25 118.61 1nl4 h VAL 122 Ca -0.44 -0.80 0.11 0.00 -1.01 0.00 0.00 66.70 64.56 1nl4 h VAL 122 Cb 1.70 1.06 -0.08 0.00 -2.01 0.00 0.00 31.29 31.96 1nl4 h VAL 122 CO -0.07 0.27 0.40 0.00 -1.01 0.00 0.00 177.57 177.17 1nl4 h ALA 123 N 0.92 1.10 -0.02 3.17 0.00 -1.07 -0.52 119.26 122.84 1nl4 h ALA 123 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nl4 h ALA 123 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nl4 h ALA 123 CO 0.00 -0.02 -0.04 1.15 0.00 0.00 0.00 179.25 180.34 1nl4 h THR 124 N 0.65 0.90 -0.33 0.00 2.02 -1.54 0.11 112.91 114.72 1nl4 h THR 124 Ca 0.39 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.64 1nl4 h THR 124 Cb 0.44 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1nl4 h THR 124 CO -0.29 0.00 -0.16 0.44 0.37 0.00 0.00 175.52 175.88 1nl4 h ASP 125 N -0.05 -0.54 -0.35 4.18 3.32 -0.19 0.64 116.42 123.42 1nl4 h ASP 125 Ca 0.02 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.28 1nl4 h ASP 125 Cb 0.09 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 1nl4 h ASP 125 CO -0.05 -0.19 -0.29 0.58 -1.72 0.00 0.00 179.24 177.56 1nl4 h VAL 126 N -0.11 0.29 -0.56 -1.35 2.07 -0.42 0.84 116.25 117.01 1nl4 h VAL 126 Ca 0.17 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.80 1nl4 h VAL 126 Cb 0.36 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.31 1nl4 h VAL 126 CO -0.40 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.01 1nl4 h GLN 128 N -0.04 0.81 -0.10 0.00 4.15 0.34 -1.73 115.11 118.54 1nl4 h GLN 128 Ca 0.27 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1nl4 h GLN 128 Cb 0.45 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1nl4 h GLN 128 CO -0.60 0.76 -0.16 0.35 -1.93 0.00 0.00 178.83 177.25 1nl4 h PHE 129 N 0.78 0.35 -0.87 3.99 3.57 0.27 -3.06 116.94 121.97 1nl4 h PHE 129 Ca 0.17 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1nl4 h PHE 129 Cb 0.34 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1nl4 h PHE 129 CO 0.02 0.76 0.57 -0.07 -2.23 0.00 0.00 178.31 177.35 1nl4 h LEU 130 N -0.16 0.83 -1.21 0.59 3.38 -0.48 0.81 115.31 119.07 1nl4 h LEU 130 Ca 0.01 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1nl4 h LEU 130 Cb 0.73 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1nl4 h LEU 130 CO 0.04 0.52 0.58 -0.08 0.09 0.00 0.00 178.44 179.59 1nl4 h GLU 131 N 0.93 0.77 0.00 1.13 4.81 -1.22 0.47 114.58 121.46 1nl4 h GLU 131 Ca 0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1nl4 h GLU 131 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1nl4 h GLU 131 CO -0.15 0.51 0.00 -0.07 -0.73 0.00 0.00 179.01 178.57 1nl4 h LEU 132 N 0.79 0.00 0.01 1.64 3.38 -0.77 -2.94 115.31 117.41 1nl4 h LEU 132 Ca 0.45 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.16 1nl4 h LEU 132 Cb 0.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1nl4 h LEU 132 CO -0.21 0.00 -1.44 0.00 0.09 0.00 0.00 178.44 176.87 1nl4 n GLN 134 N -3.18 2.23 -3.34 0.00 7.27 0.24 -1.91 117.38 118.70 1nl4 n GLN 134 Ca -0.11 0.80 -0.31 0.00 0.07 0.00 0.00 57.00 57.45 1nl4 n GLN 134 Cb 1.01 -2.55 -0.05 0.00 2.41 0.00 0.00 30.24 31.06 1nl4 n GLN 134 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1nl4 s SER 135 N 0.73 6.62 0.02 1.69 0.15 0.16 -4.92 113.70 118.15 1nl4 s SER 135 Ca 0.74 0.95 0.12 0.00 0.70 0.00 0.00 55.95 58.47 1nl4 s SER 135 Cb -0.64 -2.24 0.52 0.00 -1.71 0.00 0.00 66.02 61.95 1nl4 s SER 135 CO 0.41 -0.12 1.39 -0.81 1.20 0.00 0.00 173.24 175.31 1nl4 n PRO 136 N -0.33 0.01 -0.05 5.44 -0.04 -1.26 -0.72 135.00 138.05 1nl4 n PRO 136 Ca 0.01 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1nl4 n PRO 136 Cb 0.53 -1.53 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 1nl4 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nl4 n ASP 137 N -1.55 3.03 0.00 3.54 8.00 -1.26 -5.05 116.55 123.27 1nl4 n ASP 137 Ca 0.03 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1nl4 n ASP 137 Cb 0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1nl4 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nl4 n GLY 138 N 1.32 2.15 1.70 0.44 0.00 0.10 -3.79 105.19 107.11 1nl4 n GLY 138 Ca 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1nl4 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl4 n GLY 139 N 1.95 -2.23 3.33 -0.02 0.00 -1.26 -4.36 105.19 102.60 1nl4 n GLY 139 Ca 0.00 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 1nl4 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nl4 s PHE 140 N -0.77 1.87 0.42 1.61 0.40 -1.26 -0.66 117.98 119.59 1nl4 s PHE 140 Ca 0.00 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1nl4 s PHE 140 Cb 0.00 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 1nl4 s PHE 140 CO 0.00 0.32 0.43 0.20 0.70 0.00 0.00 175.22 176.86 1nl4 s GLY 141 N -2.47 2.09 0.16 4.36 0.00 -0.80 0.15 107.32 110.81 1nl4 s GLY 141 Ca 0.14 -1.83 0.18 0.00 0.00 0.00 0.00 44.72 43.20 1nl4 s GLY 141 CO 0.06 -1.65 1.54 0.61 0.00 0.00 0.00 173.10 173.67 1nl4 n GLY 142 N -1.62 -1.04 3.88 0.20 0.00 -1.26 -4.67 105.19 100.68 1nl4 n GLY 142 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1nl4 n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nl4 s GLY 143 N -3.31 -0.18 0.12 -0.02 0.00 -1.26 -0.99 107.32 101.68 1nl4 s GLY 143 Ca 0.04 0.17 -0.33 0.00 0.00 0.00 0.00 44.72 44.59 1nl4 s GLY 143 CO 0.28 3.88 1.67 -1.05 0.00 0.00 0.00 173.10 177.88 1nl4 n PRO 144 N -0.78 2.31 -0.62 2.90 -0.02 -1.26 -1.89 135.00 135.65 1nl4 n PRO 144 Ca -0.00 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1nl4 n PRO 144 Cb 0.60 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1nl4 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nl4 n GLY 145 N 3.74 0.80 3.86 -1.23 0.00 -1.24 -5.01 105.19 106.11 1nl4 n GLY 145 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1nl4 n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nl4 s GLN 146 N -0.38 3.85 0.43 1.61 -0.21 -0.79 -5.03 119.66 119.14 1nl4 s GLN 146 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 55.36 55.44 1nl4 s GLN 146 Cb 0.00 -2.81 -0.09 0.00 1.00 0.00 0.00 33.01 31.11 1nl4 s GLN 146 CO 0.00 0.42 1.40 0.66 -2.12 0.00 0.00 175.29 175.64 1nl4 n TYR 147 N 0.35 2.59 -1.74 0.91 0.53 -1.26 -4.08 117.16 114.47 1nl4 n TYR 147 Ca -0.03 0.46 -0.37 0.00 -1.02 0.00 0.00 57.90 56.94 1nl4 n TYR 147 Cb 0.52 -2.45 0.07 0.00 -1.03 0.00 0.00 39.34 36.45 1nl4 n TYR 147 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 1nl4 s PRO 148 N -2.33 2.55 -0.11 -0.72 0.04 -1.26 -4.18 135.00 129.00 1nl4 s PRO 148 Ca 0.60 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 1nl4 s PRO 148 Cb -0.47 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1nl4 s PRO 148 CO 0.59 -1.60 0.32 -1.58 0.04 0.00 0.00 177.00 174.76 1nl4 s HIS 149 N -1.38 -0.33 0.34 0.56 2.46 0.40 -4.69 115.29 112.65 1nl4 s HIS 149 Ca 0.83 0.78 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1nl4 s HIS 149 Cb -0.38 0.12 0.63 0.00 -0.13 0.00 0.00 32.58 32.81 1nl4 s HIS 149 CO 0.40 -0.20 1.97 -0.07 -2.47 0.00 0.00 174.74 174.37 1nl4 h LEU 150 N 5.41 0.77 0.66 8.88 3.38 -1.29 -0.65 115.31 132.47 1nl4 h LEU 150 Ca -0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1nl4 h LEU 150 Cb 1.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1nl4 h LEU 150 CO 0.32 0.52 -0.44 0.00 0.09 0.00 0.00 178.44 178.94 1nl4 h ALA 151 N 1.57 -1.21 -0.41 1.53 0.00 -1.92 0.55 119.26 119.36 1nl4 h ALA 151 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nl4 h ALA 151 Cb 0.09 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1nl4 h ALA 151 CO -0.09 -1.18 0.25 -1.35 0.00 0.00 0.00 179.25 176.87 1nl4 h PRO 152 N -1.03 0.54 -0.18 0.00 0.11 -1.82 -0.09 132.00 129.53 1nl4 h PRO 152 Ca -0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1nl4 h PRO 152 Cb 0.84 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1nl4 h PRO 152 CO 0.07 0.38 0.09 1.15 -0.21 0.00 0.00 178.00 179.48 1nl4 h THR 153 N 0.55 1.11 -0.56 -1.15 2.02 -0.44 0.53 112.91 114.98 1nl4 h THR 153 Ca 0.15 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1nl4 h THR 153 Cb -0.03 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1nl4 h THR 153 CO -0.03 0.11 0.34 0.22 0.37 0.00 0.00 175.52 176.53 1nl4 h TYR 154 N 0.18 0.63 0.02 3.16 3.20 0.15 -2.03 116.97 122.28 1nl4 h TYR 154 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1nl4 h TYR 154 Cb 0.09 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1nl4 h TYR 154 CO -0.03 0.36 -0.01 0.00 -1.64 0.00 0.00 178.16 176.84 1nl4 h ALA 155 N 1.25 -0.03 -0.26 1.82 0.00 -0.55 -1.96 119.26 119.52 1nl4 h ALA 155 Ca 0.23 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1nl4 h ALA 155 Cb 0.02 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1nl4 h ALA 155 CO -0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 179.25 178.48 1nl4 h ALA 156 N 0.88 -0.02 0.40 0.00 0.00 0.36 0.83 119.26 121.71 1nl4 h ALA 156 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nl4 h ALA 156 Cb 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nl4 h ALA 156 CO 0.00 -0.60 -0.28 0.28 0.00 0.00 0.00 179.25 178.65 1nl4 h VAL 157 N -0.18 0.41 -0.54 0.00 2.07 -1.32 0.17 116.25 116.86 1nl4 h VAL 157 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 1nl4 h VAL 157 Cb 0.40 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1nl4 h VAL 157 CO -0.37 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 177.89 1nl4 h ASN 158 N -0.67 -0.45 -0.06 0.57 4.21 -0.93 0.71 115.58 118.95 1nl4 h ASN 158 Ca -0.04 0.16 0.01 0.00 1.21 0.00 0.00 56.30 57.64 1nl4 h ASN 158 Cb 0.57 0.32 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1nl4 h ASN 158 CO 0.01 -0.16 -0.18 0.00 -1.29 0.00 0.00 177.43 175.81 1nl4 h ALA 159 N 1.53 -0.55 -1.34 -0.83 0.00 -0.16 0.27 119.26 118.18 1nl4 h ALA 159 Ca 0.26 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.56 1nl4 h ALA 159 Cb 0.40 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1nl4 h ALA 159 CO -0.54 -0.62 0.91 -0.07 0.00 0.00 0.00 179.25 178.93 1nl4 h LEU 160 N -0.18 0.18 -0.03 0.00 3.38 -0.23 0.41 115.31 118.85 1nl4 h LEU 160 Ca 0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1nl4 h LEU 160 Cb 0.21 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nl4 h LEU 160 CO -0.15 -0.05 -0.11 0.00 0.09 0.00 0.00 178.44 178.22 1nl4 h ILE 162 N -0.48 0.56 0.65 0.00 2.04 0.30 0.48 117.51 121.07 1nl4 h ILE 162 Ca -0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1nl4 h ILE 162 Cb 0.76 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1nl4 h ILE 162 CO 0.02 0.10 -0.31 0.40 0.00 0.00 0.00 178.15 178.36 1nl4 h ILE 163 N 0.55 0.15 -4.72 -0.67 2.04 -1.11 -3.49 117.51 110.27 1nl4 h ILE 163 Ca 0.59 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 66.05 1nl4 h ILE 163 Cb 1.06 0.20 0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1nl4 h ILE 163 CO -0.47 0.02 -0.30 0.61 0.00 0.00 0.00 178.15 178.01 1nl4 n GLY 164 N -0.70 -0.78 3.03 5.37 0.00 0.17 -5.08 105.19 107.21 1nl4 n GLY 164 Ca -0.12 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1nl4 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nl4 s THR 165 N -3.14 0.12 0.28 2.61 -4.23 -1.26 -5.00 115.64 105.03 1nl4 s THR 165 Ca 0.16 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 1nl4 s THR 165 Cb -0.02 -0.52 0.43 0.00 1.34 0.00 0.00 72.50 73.73 1nl4 s THR 165 CO 0.53 -0.55 1.51 -0.62 -0.54 0.00 0.00 174.62 174.95 1nl4 n GLU 166 N 1.29 -0.08 0.25 3.99 -0.58 -1.26 -0.28 120.64 123.96 1nl4 n GLU 166 Ca -0.22 1.48 -0.14 0.00 -0.42 0.00 0.00 57.16 57.86 1nl4 n GLU 166 Cb 0.56 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.09 1nl4 n GLU 166 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1nl4 h GLU 167 N 0.00 -0.77 -0.18 3.49 4.81 -1.97 0.40 114.58 120.37 1nl4 h GLU 167 Ca 0.51 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 1nl4 h GLU 167 Cb 0.89 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1nl4 h GLU 167 CO -0.96 -0.51 -0.54 0.00 -0.73 0.00 0.00 179.01 176.26 1nl4 h ALA 168 N -1.17 -0.87 -0.84 2.92 0.00 -0.96 -0.75 119.26 117.59 1nl4 h ALA 168 Ca -0.06 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.97 1nl4 h ALA 168 Cb 0.68 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1nl4 h ALA 168 CO -0.02 -1.08 0.40 1.88 0.00 0.00 0.00 179.25 180.43 1nl4 h TYR 169 N -0.55 0.69 0.00 0.00 0.99 -0.69 0.43 116.97 117.83 1nl4 h TYR 169 Ca 0.04 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1nl4 h TYR 169 Cb 0.67 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1nl4 h TYR 169 CO -0.61 0.11 0.00 0.09 -0.00 0.00 0.00 178.16 177.76 1nl4 n ASN 170 N -4.93 0.00 -0.01 3.88 3.02 0.14 -2.02 115.26 115.33 1nl4 n ASN 170 Ca 0.17 0.40 -0.13 0.00 -0.03 0.00 0.00 54.58 54.99 1nl4 n ASN 170 Cb 0.47 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.19 1nl4 n ASN 170 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1nl4 h VAL 171 N 0.00 1.31 -2.70 2.41 2.07 -0.31 -3.43 116.25 115.60 1nl4 h VAL 171 Ca 0.00 -1.91 -0.57 0.00 0.82 0.00 0.00 66.70 65.04 1nl4 h VAL 171 Cb 0.17 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1nl4 h VAL 171 CO 0.00 0.60 1.18 -0.63 0.02 0.00 0.00 177.57 178.74 1nl4 s ILE 172 N -3.87 3.58 -0.89 4.57 1.01 -0.86 -4.95 121.20 119.80 1nl4 s ILE 172 Ca -0.08 0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.98 1nl4 s ILE 172 Cb 0.10 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 39.00 1nl4 s ILE 172 CO 0.87 -0.30 1.28 0.21 0.00 0.00 0.00 174.94 177.00 1nl4 s ASN 173 N 4.86 6.41 0.11 3.58 3.84 -1.26 -4.88 114.94 127.59 1nl4 s ASN 173 Ca 0.75 -1.29 -0.23 0.00 0.21 0.00 0.00 52.86 52.31 1nl4 s ASN 173 Cb -0.25 -2.51 -0.09 0.00 -0.55 0.00 0.00 41.25 37.85 1nl4 s ASN 173 CO 0.31 -1.48 1.70 0.03 -2.79 0.00 0.00 177.10 174.87 1nl4 h ARG 174 N 9.62 -0.13 -0.93 0.43 3.08 -1.95 -0.06 114.38 124.44 1nl4 h ARG 174 Ca 0.02 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.25 1nl4 h ARG 174 Cb 1.03 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 1nl4 h ARG 174 CO 1.29 -0.08 0.60 1.05 -1.07 0.00 0.00 179.97 181.76 1nl4 h GLU 175 N -0.13 0.60 0.07 0.04 9.09 -1.98 -0.20 114.58 122.07 1nl4 h GLU 175 Ca 0.04 -0.04 -0.24 0.00 0.05 0.00 0.00 59.36 59.17 1nl4 h GLU 175 Cb 0.18 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 1nl4 h GLU 175 CO -0.10 0.39 -1.13 0.87 0.05 0.00 0.00 179.01 179.10 1nl4 h LYS 176 N 0.61 0.14 -0.36 1.06 1.79 -1.80 -3.18 116.57 114.84 1nl4 h LYS 176 Ca 0.49 -0.25 0.04 0.00 -2.18 0.00 0.00 60.65 58.76 1nl4 h LYS 176 Cb 0.93 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 1nl4 h LYS 176 CO -0.24 1.12 0.12 1.25 -1.08 0.00 0.00 179.45 180.61 1nl4 h LEU 177 N 0.04 0.11 0.26 2.94 5.85 0.75 -0.86 115.31 124.39 1nl4 h LEU 177 Ca -0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1nl4 h LEU 177 Cb 1.88 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1nl4 h LEU 177 CO 0.17 0.10 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.07 1nl4 h LEU 178 N 0.26 -0.59 -0.52 2.25 3.38 -1.36 0.30 115.31 119.04 1nl4 h LEU 178 Ca 0.17 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1nl4 h LEU 178 Cb 0.15 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1nl4 h LEU 178 CO -0.18 -0.34 -0.51 1.56 0.09 0.00 0.00 178.44 179.07 1nl4 h GLN 179 N -0.50 -0.24 -0.07 1.13 4.20 -1.45 0.18 115.11 118.36 1nl4 h GLN 179 Ca -0.01 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1nl4 h GLN 179 Cb 0.45 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1nl4 h GLN 179 CO -0.03 -0.16 -0.54 -0.92 -0.67 0.00 0.00 178.83 176.51 1nl4 h TYR 180 N -0.25 -1.58 -0.85 2.96 3.20 -0.72 0.18 116.97 119.91 1nl4 h TYR 180 Ca 0.09 0.06 0.19 0.00 3.14 0.00 0.00 58.73 62.20 1nl4 h TYR 180 Cb 0.48 0.70 -0.16 0.00 1.54 0.00 0.00 36.73 39.29 1nl4 h TYR 180 CO -0.80 -0.56 -0.12 -0.07 -1.64 0.00 0.00 178.16 174.97 1nl4 h LEU 181 N -0.62 -0.63 -1.03 2.82 3.38 0.10 0.52 115.31 119.85 1nl4 h LEU 181 Ca 0.02 0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1nl4 h LEU 181 Cb 0.70 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1nl4 h LEU 181 CO -0.40 -0.27 0.11 1.88 0.09 0.00 0.00 178.44 179.85 1nl4 h TYR 182 N 0.03 0.83 -0.02 1.13 0.99 0.56 -2.17 116.97 118.32 1nl4 h TYR 182 Ca 0.44 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1nl4 h TYR 182 Cb 0.75 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.24 1nl4 h TYR 182 CO -0.58 0.71 0.02 0.66 -0.00 0.00 0.00 178.16 178.97 1nl4 h SER 183 N 0.77 0.00 0.00 3.88 4.64 0.30 -1.80 113.55 121.35 1nl4 h SER 183 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1nl4 h SER 183 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1nl4 h SER 183 CO 0.00 0.00 -1.08 0.18 -0.87 0.00 0.00 176.83 175.07 1nl4 n LEU 184 N -3.76 0.87 -4.72 5.97 4.77 -0.85 -4.96 117.00 114.33 1nl4 n LEU 184 Ca -0.03 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 1nl4 n LEU 184 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1nl4 n LEU 184 CO 0.27 0.22 1.26 1.17 -1.33 0.00 0.00 177.39 178.97 1nl4 n LYS 185 N -1.56 2.60 -4.06 3.23 3.00 -0.68 -1.66 118.16 119.03 1nl4 n LYS 185 Ca 0.03 0.93 -0.26 0.00 -0.00 0.00 0.00 58.31 59.01 1nl4 n LYS 185 Cb 0.35 -2.72 -0.05 0.00 0.00 0.00 0.00 35.03 32.60 1nl4 n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1nl4 s GLN 186 N 0.18 3.00 0.35 1.64 -1.52 0.15 -4.94 119.66 118.52 1nl4 s GLN 186 Ca 0.69 -0.82 0.03 0.00 -1.95 0.00 0.00 55.36 53.31 1nl4 s GLN 186 Cb -0.53 -2.70 0.64 0.00 -0.22 0.00 0.00 33.01 30.20 1nl4 s GLN 186 CO 0.42 0.49 2.00 -1.35 -0.25 0.00 0.00 175.29 176.60 1nl4 h PRO 187 N 2.37 0.84 0.00 2.91 0.11 -1.95 -2.03 132.00 134.25 1nl4 h PRO 187 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nl4 h PRO 187 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1nl4 h PRO 187 CO 0.64 0.55 0.00 -0.40 -0.21 0.00 0.00 178.00 178.58 1nl4 n ASP 188 N -4.45 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.68 1nl4 n ASP 188 Ca 0.08 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1nl4 n ASP 188 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1nl4 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nl4 n GLY 189 N 0.68 1.46 3.96 6.12 0.00 -0.76 -4.50 105.19 112.15 1nl4 n GLY 189 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1nl4 n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nl4 s SER 190 N -1.61 4.04 0.17 1.61 1.04 -1.26 -3.89 113.70 113.81 1nl4 s SER 190 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1nl4 s SER 190 Cb 0.00 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1nl4 s SER 190 CO 0.00 -2.09 -0.08 -0.36 0.98 0.00 0.00 173.24 171.69 1nl4 s PHE 191 N -3.40 1.39 0.45 5.02 0.40 -1.26 0.33 117.98 120.90 1nl4 s PHE 191 Ca 0.68 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1nl4 s PHE 191 Cb -0.06 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1nl4 s PHE 191 CO 0.47 0.08 0.68 -0.51 0.70 0.00 0.00 175.22 176.64 1nl4 s LEU 192 N -3.22 3.66 0.13 -0.37 1.43 -0.67 -4.40 118.68 115.25 1nl4 s LEU 192 Ca 0.20 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1nl4 s LEU 192 Cb 0.03 -3.26 -0.17 0.00 0.03 0.00 0.00 46.19 42.81 1nl4 s LEU 192 CO 0.03 -0.66 1.30 0.24 0.23 0.00 0.00 176.35 177.48 1nl4 h MET 193 N 0.39 0.02 -2.67 1.70 2.86 -1.42 -3.46 114.93 112.34 1nl4 h MET 193 Ca -0.47 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.21 1nl4 h MET 193 Cb 1.24 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.80 1nl4 h MET 193 CO 0.58 0.99 0.35 -3.38 1.06 0.00 0.00 176.91 176.50 1nl4 s HIS 194 N -2.77 -0.36 -0.09 -0.22 0.00 -1.26 -0.90 115.29 109.68 1nl4 s HIS 194 Ca 0.01 0.12 -0.36 0.00 -3.00 0.00 0.00 55.06 51.82 1nl4 s HIS 194 Cb 0.10 0.59 -0.14 0.00 -4.00 0.00 0.00 32.58 29.13 1nl4 s HIS 194 CO 0.82 -0.81 1.74 0.28 -1.00 0.00 0.00 174.74 175.77 1nl4 n VAL 195 N -0.36 0.36 -0.98 -5.38 0.31 -1.26 0.99 118.33 112.00 1nl4 n VAL 195 Ca -0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nl4 n VAL 195 Cb 0.62 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1nl4 n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nl4 n GLY 196 N 4.01 0.65 4.00 2.92 0.00 -1.26 -5.00 105.19 110.50 1nl4 n GLY 196 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1nl4 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nl4 s GLY 197 N -2.00 1.76 1.01 -0.02 0.00 0.28 -5.10 107.32 103.24 1nl4 s GLY 197 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 1nl4 s GLY 197 CO 0.00 -1.23 1.18 -1.83 0.00 0.00 0.00 173.10 171.22 1nl4 s GLU 198 N -5.08 0.35 -0.02 2.90 1.03 -1.26 -4.58 118.70 112.03 1nl4 s GLU 198 Ca 0.66 -0.02 0.01 0.00 0.03 0.00 0.00 54.97 55.65 1nl4 s GLU 198 Cb -0.05 -1.77 0.01 0.00 -0.80 0.00 0.00 34.13 31.51 1nl4 s GLU 198 CO 0.44 -2.68 -0.05 0.08 -1.33 0.00 0.00 175.26 171.72 1nl4 s VAL 199 N -3.39 0.47 -0.05 1.83 1.01 -1.26 -1.24 120.40 117.76 1nl4 s VAL 199 Ca 0.69 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 1nl4 s VAL 199 Cb -0.10 -0.45 0.11 0.00 0.00 0.00 0.00 36.38 35.95 1nl4 s VAL 199 CO 0.54 0.17 1.10 1.51 0.00 0.00 0.00 175.10 178.42 1nl4 s ASP 200 N 0.36 -0.19 0.33 3.32 1.47 -1.26 -4.88 116.67 115.82 1nl4 s ASP 200 Ca -0.04 -0.09 0.11 0.00 1.18 0.00 0.00 52.55 53.71 1nl4 s ASP 200 Cb -0.08 0.26 0.99 0.00 -0.34 0.00 0.00 42.92 43.76 1nl4 s ASP 200 CO -0.00 -0.45 1.63 0.58 0.68 0.00 0.00 175.17 177.61 1nl4 h VAL 201 N 2.00 0.22 -0.72 2.11 2.07 -1.67 -2.07 116.25 118.18 1nl4 h VAL 201 Ca -0.19 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1nl4 h VAL 201 Cb 1.20 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1nl4 h VAL 201 CO 0.27 0.04 -0.30 0.54 0.02 0.00 0.00 177.57 178.13 1nl4 n ARG 202 N -5.19 -0.19 -0.27 1.57 1.74 -1.26 0.13 116.66 113.20 1nl4 n ARG 202 Ca 0.29 1.11 0.08 0.00 -0.77 0.00 0.00 57.85 58.56 1nl4 n ARG 202 Cb 0.93 -1.65 0.21 0.00 -1.02 0.00 0.00 32.46 30.93 1nl4 n ARG 202 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nl4 h SER 203 N 0.00 0.14 -0.14 0.55 4.64 -1.70 0.28 113.55 117.32 1nl4 h SER 203 Ca 0.24 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1nl4 h SER 203 Cb 0.42 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1nl4 h SER 203 CO -0.72 -0.01 0.09 0.00 -0.87 0.00 0.00 176.83 175.33 1nl4 h ALA 204 N 1.63 0.18 -0.12 5.18 0.00 0.94 0.59 119.26 127.66 1nl4 h ALA 204 Ca 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1nl4 h ALA 204 Cb 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nl4 h ALA 204 CO -0.50 -0.31 0.04 -0.92 0.00 0.00 0.00 179.25 177.55 1nl4 h TYR 205 N 0.16 0.20 -0.12 0.00 3.20 -0.75 -0.90 116.97 118.77 1nl4 h TYR 205 Ca 0.05 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1nl4 h TYR 205 Cb 0.02 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 1nl4 h TYR 205 CO -0.06 0.33 -0.53 0.00 -1.64 0.00 0.00 178.16 176.27 1nl4 h ALA 207 N -0.25 -0.87 -0.54 0.00 0.00 -0.79 -2.17 119.26 114.64 1nl4 h ALA 207 Ca 0.04 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1nl4 h ALA 207 Cb 0.68 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1nl4 h ALA 207 CO -0.42 -1.06 -0.00 0.00 0.00 0.00 0.00 179.25 177.77 1nl4 h ALA 208 N -0.35 0.51 -0.03 0.00 0.00 -0.74 0.00 119.26 118.65 1nl4 h ALA 208 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nl4 h ALA 208 Cb 0.73 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1nl4 h ALA 208 CO -0.26 -0.39 -0.06 1.03 0.00 0.00 0.00 179.25 179.57 1nl4 h SER 209 N 0.11 -0.18 -0.36 0.00 0.87 -0.13 -1.38 113.55 112.49 1nl4 h SER 209 Ca 0.27 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 1nl4 h SER 209 Cb 0.42 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1nl4 h SER 209 CO -0.46 -0.09 -0.32 -0.37 -0.53 0.00 0.00 176.83 175.06 1nl4 h VAL 210 N -0.09 1.28 -0.08 2.23 -1.51 -1.07 -2.36 116.25 114.66 1nl4 h VAL 210 Ca 0.04 -1.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1nl4 h VAL 210 Cb 0.14 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1nl4 h VAL 210 CO -0.09 0.49 0.05 0.00 -1.23 0.00 0.00 177.57 176.79 1nl4 h ALA 211 N 0.76 0.10 0.02 5.19 0.00 -0.92 -1.23 119.26 123.17 1nl4 h ALA 211 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nl4 h ALA 211 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nl4 h ALA 211 CO 0.08 -0.37 -0.01 0.66 0.00 0.00 0.00 179.25 179.61 1nl4 h SER 212 N 0.06 -0.02 -0.52 0.00 4.64 -1.28 0.47 113.55 116.89 1nl4 h SER 212 Ca 0.03 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1nl4 h SER 212 Cb 0.05 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1nl4 h SER 212 CO -0.01 0.09 0.24 -0.07 -0.87 0.00 0.00 176.83 176.22 1nl4 h LEU 213 N -0.14 0.32 -0.14 5.97 3.38 -1.35 -0.96 115.31 122.39 1nl4 h LEU 213 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nl4 h LEU 213 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1nl4 h LEU 213 CO 0.00 0.22 -0.11 0.35 0.09 0.00 0.00 178.44 178.99 1nl4 n THR 214 N -4.92 0.00 -3.05 0.22 -2.24 -0.47 -3.89 114.28 99.92 1nl4 n THR 214 Ca 0.05 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 1nl4 n THR 214 Cb 0.17 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1nl4 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nl4 n ASN 215 N -1.13 -6.89 -0.01 3.42 5.15 0.15 -4.83 115.26 111.11 1nl4 n ASN 215 Ca 0.13 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1nl4 n ASN 215 Cb 0.28 -4.98 0.00 0.00 -0.53 0.00 0.00 39.78 34.56 1nl4 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1nl4 n ILE 216 N -2.43 0.52 -2.07 -1.44 -5.35 -0.22 -4.38 119.36 104.00 1nl4 n ILE 216 Ca -0.03 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.48 1nl4 n ILE 216 Cb 0.56 0.72 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 1nl4 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1nl4 s ILE 217 N -0.55 3.57 0.82 7.28 1.01 -1.26 -4.77 121.20 127.31 1nl4 s ILE 217 Ca 0.01 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 1nl4 s ILE 217 Cb 0.01 -3.75 0.16 0.00 0.01 0.00 0.00 42.46 38.88 1nl4 s ILE 217 CO 0.00 -0.47 1.13 0.42 0.00 0.00 0.00 174.94 176.03 1nl4 s THR 218 N 6.44 2.07 0.22 2.92 -4.23 -1.26 -5.00 115.64 116.81 1nl4 s THR 218 Ca 0.76 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1nl4 s THR 218 Cb -0.21 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 70.94 1nl4 s THR 218 CO 0.33 0.00 1.64 1.55 -0.54 0.00 0.00 174.62 177.60 1nl4 h PRO 219 N -1.00 0.72 -0.02 3.99 0.13 -2.03 -3.24 132.00 130.55 1nl4 h PRO 219 Ca -0.40 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1nl4 h PRO 219 Cb 1.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nl4 h PRO 219 CO 0.39 0.89 -0.31 -0.40 -0.23 0.00 0.00 178.00 178.35 1nl4 n ASP 220 N -4.11 2.32 -0.25 1.44 3.85 -1.26 -4.56 116.55 113.98 1nl4 n ASP 220 Ca -0.00 -1.66 -0.09 0.00 -0.71 0.00 0.00 54.79 52.33 1nl4 n ASP 220 Cb 0.43 0.32 -0.05 0.00 -1.35 0.00 0.00 41.12 40.47 1nl4 n ASP 220 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1nl4 h LEU 221 N 3.13 -1.68 -3.86 -2.12 5.85 -1.95 -0.79 115.31 113.89 1nl4 h LEU 221 Ca 0.00 0.27 -0.49 0.00 0.84 0.00 0.00 57.88 58.50 1nl4 h LEU 221 Cb 0.82 0.75 -0.29 0.00 0.37 0.00 0.00 40.66 42.32 1nl4 h LEU 221 CO 0.00 -0.32 0.63 0.49 -0.34 0.00 0.00 178.44 178.89 1nl4 n PHE 222 N -5.38 2.87 -1.59 1.25 3.01 -1.26 -4.97 117.46 111.38 1nl4 n PHE 222 Ca 0.02 -1.83 -0.53 0.00 1.01 0.00 0.00 57.45 56.12 1nl4 n PHE 222 Cb 0.34 -0.93 -0.07 0.00 -0.01 0.00 0.00 39.48 38.81 1nl4 n PHE 222 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1nl4 n GLU 223 N -1.01 1.31 -0.83 -1.08 4.07 -0.31 -0.97 120.64 121.82 1nl4 n GLU 223 Ca 0.56 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 1nl4 n GLU 223 Cb 1.53 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 1nl4 n GLU 223 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nl4 n GLY 224 N 5.25 0.91 0.25 8.31 0.00 -1.26 -4.39 105.19 114.25 1nl4 n GLY 224 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 1nl4 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nl4 h THR 225 N 0.00 1.19 -0.91 2.61 2.02 -1.17 -0.94 112.91 115.73 1nl4 h THR 225 Ca 0.00 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1nl4 h THR 225 Cb 0.00 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 1nl4 h THR 225 CO 0.00 0.21 0.59 0.00 0.37 0.00 0.00 175.52 176.70 1nl4 h ALA 226 N 1.13 1.50 -0.41 6.16 0.00 -1.88 0.18 119.26 125.94 1nl4 h ALA 226 Ca 0.20 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1nl4 h ALA 226 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nl4 h ALA 226 CO -0.03 0.37 -0.31 0.93 0.00 0.00 0.00 179.25 180.21 1nl4 h GLU 227 N 1.04 0.93 0.11 0.00 3.07 -1.75 -0.94 114.58 117.04 1nl4 h GLU 227 Ca 0.39 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1nl4 h GLU 227 Cb 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1nl4 h GLU 227 CO -0.14 1.12 -0.05 2.35 -1.40 0.00 0.00 179.01 180.88 1nl4 h TRP 228 N 0.76 -0.13 -0.70 4.33 7.01 0.15 -2.22 115.95 125.14 1nl4 h TRP 228 Ca 0.08 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.18 1nl4 h TRP 228 Cb 0.90 0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.92 1nl4 h TRP 228 CO 0.06 -0.02 0.31 0.82 -2.79 0.00 0.00 178.44 176.82 1nl4 h ILE 229 N -0.21 0.77 -0.59 2.65 2.04 -0.95 -0.42 117.51 120.80 1nl4 h ILE 229 Ca -0.01 -0.17 0.15 0.00 1.00 0.00 0.00 64.86 65.82 1nl4 h ILE 229 Cb 0.17 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1nl4 h ILE 229 CO 0.02 0.09 0.41 0.00 0.00 0.00 0.00 178.15 178.68 1nl4 h ALA 230 N 1.47 2.35 0.00 1.87 0.00 -0.66 0.25 119.26 124.54 1nl4 h ALA 230 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nl4 h ALA 230 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nl4 h ALA 230 CO -0.32 -0.51 0.00 0.54 0.00 0.00 0.00 179.25 178.95 1nl4 n ARG 231 N -4.41 0.11 0.15 0.00 1.74 -0.18 -2.76 116.66 111.31 1nl4 n ARG 231 Ca 0.11 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1nl4 n ARG 231 Cb 0.56 -1.65 0.28 0.00 -1.02 0.00 0.00 32.46 30.63 1nl4 n ARG 231 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nl4 s GLN 233 N -3.16 4.29 0.17 0.00 0.74 -1.11 -1.23 119.66 119.36 1nl4 s GLN 233 Ca 0.08 1.68 0.02 0.00 0.05 0.00 0.00 55.36 57.20 1nl4 s GLN 233 Cb 0.09 -3.67 0.02 0.00 1.10 0.00 0.00 33.01 30.55 1nl4 s GLN 233 CO 0.64 -0.59 0.14 0.27 -0.55 0.00 0.00 175.29 175.20 1nl4 n ASN 234 N 5.95 1.41 0.25 6.67 6.94 -0.43 -4.96 115.26 131.09 1nl4 n ASN 234 Ca 0.13 -1.57 0.10 0.00 -0.02 0.00 0.00 54.58 53.22 1nl4 n ASN 234 Cb 0.45 -0.03 0.55 0.00 -2.36 0.00 0.00 39.78 38.40 1nl4 n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1nl4 h TRP 235 N 0.47 0.00 0.00 -2.53 5.08 -1.95 0.13 115.95 117.16 1nl4 h TRP 235 Ca -0.10 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.87 1nl4 h TRP 235 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 1nl4 h TRP 235 CO 0.00 0.00 -0.29 0.93 -1.28 0.00 0.00 178.44 177.80 1nl4 h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.98 -3.46 114.58 114.34 1nl4 h GLU 236 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nl4 h GLU 236 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1nl4 h GLU 236 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1nl4 n GLY 237 N 1.19 1.95 3.60 -3.84 0.00 0.46 -4.62 105.19 103.93 1nl4 n GLY 237 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1nl4 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl4 n GLY 238 N -2.00 -0.02 3.35 -0.02 0.00 -1.26 -3.75 105.19 101.49 1nl4 n GLY 238 Ca 0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1nl4 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nl4 s ILE 239 N -3.12 2.22 0.49 -0.61 1.01 -1.26 -1.31 121.20 118.61 1nl4 s ILE 239 Ca 0.64 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1nl4 s ILE 239 Cb -0.03 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1nl4 s ILE 239 CO 0.43 0.44 0.34 -0.83 0.00 0.00 0.00 174.94 175.32 1nl4 s GLY 240 N -1.05 2.35 0.25 6.18 0.00 -0.36 -0.08 107.32 114.60 1nl4 s GLY 240 Ca 0.11 -1.51 -0.05 0.00 0.00 0.00 0.00 44.72 43.28 1nl4 s GLY 240 CO 0.01 -1.90 1.87 -1.33 0.00 0.00 0.00 173.10 171.75 1nl4 h GLY 241 N 0.96 1.34 -3.73 0.20 0.00 -1.83 -3.44 103.07 96.57 1nl4 h GLY 241 Ca -0.39 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 1nl4 h GLY 241 CO 0.60 0.31 -0.33 -1.34 0.00 0.00 0.00 176.54 175.78 1nl4 s VAL 242 N -6.07 0.10 0.22 4.60 -7.23 -1.26 -1.89 120.40 108.89 1nl4 s VAL 242 Ca -0.13 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.88 1nl4 s VAL 242 Cb 0.18 -1.01 -0.15 0.00 0.56 0.00 0.00 36.38 35.97 1nl4 s VAL 242 CO 0.80 -0.48 1.08 -2.65 -0.31 0.00 0.00 175.10 173.55 1nl4 n PRO 243 N 0.48 1.23 0.00 4.82 -0.02 -1.26 -1.61 135.00 138.64 1nl4 n PRO 243 Ca -0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1nl4 n PRO 243 Cb 0.60 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1nl4 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nl4 n GLY 244 N 1.70 3.37 3.89 -1.23 0.00 -1.26 -5.02 105.19 106.66 1nl4 n GLY 244 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1nl4 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nl4 s MET 245 N -0.97 3.68 0.31 1.61 -1.94 -0.63 -5.05 119.30 116.30 1nl4 s MET 245 Ca 0.00 0.19 -0.28 0.00 -1.71 0.00 0.00 55.69 53.90 1nl4 s MET 245 Cb 0.00 -2.52 -0.14 0.00 2.01 0.00 0.00 34.83 34.19 1nl4 s MET 245 CO 0.00 0.07 1.04 -1.91 -0.01 0.00 0.00 175.02 174.21 1nl4 n GLU 246 N -1.25 1.45 -1.76 2.03 2.13 -1.26 -4.15 120.64 117.83 1nl4 n GLU 246 Ca 0.00 0.51 -0.42 0.00 0.66 0.00 0.00 57.16 57.91 1nl4 n GLU 246 Cb 0.54 -1.92 -0.02 0.00 0.27 0.00 0.00 31.44 30.32 1nl4 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nl4 s ALA 247 N -1.08 3.79 -0.01 4.31 0.00 -1.26 -4.13 121.76 123.37 1nl4 s ALA 247 Ca 0.58 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1nl4 s ALA 247 Cb -0.67 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 18.80 1nl4 s ALA 247 CO 0.60 -0.98 0.01 -1.58 0.00 0.00 0.00 175.76 173.81 1nl4 s HIS 248 N 0.24 0.02 0.15 0.00 2.46 0.89 -4.71 115.29 114.33 1nl4 s HIS 248 Ca 0.66 0.05 -0.22 0.00 0.47 0.00 0.00 55.06 56.02 1nl4 s HIS 248 Cb -0.48 -0.10 0.04 0.00 -0.13 0.00 0.00 32.58 31.91 1nl4 s HIS 248 CO 0.45 -0.04 1.63 0.78 -2.47 0.00 0.00 174.74 175.09 1nl4 h GLY 249 N 6.60 -0.15 1.00 1.59 0.00 -0.95 0.99 103.07 112.15 1nl4 h GLY 249 Ca -0.33 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1nl4 h GLY 249 CO 0.50 -0.20 0.64 -1.33 0.00 0.00 0.00 176.54 176.15 1nl4 h GLY 250 N -0.24 1.36 1.59 4.60 0.00 -1.86 -1.92 103.07 106.59 1nl4 h GLY 250 Ca 0.15 -0.50 -0.23 0.00 0.00 0.00 0.00 47.33 46.74 1nl4 h GLY 250 CO -0.41 0.49 -1.01 -0.97 0.00 0.00 0.00 176.54 174.64 1nl4 h TYR 251 N 1.30 0.55 -0.81 5.60 0.99 -1.70 -3.09 116.97 119.80 1nl4 h TYR 251 Ca 0.35 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1nl4 h TYR 251 Cb -0.14 -0.05 -0.04 0.00 1.00 0.00 0.00 36.73 37.50 1nl4 h TYR 251 CO -0.00 1.16 0.47 1.15 -0.00 0.00 0.00 178.16 180.94 1nl4 h THR 252 N 0.18 1.23 -0.17 -2.88 2.02 0.15 0.30 112.91 113.74 1nl4 h THR 252 Ca -0.09 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1nl4 h THR 252 Cb 1.66 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1nl4 h THR 252 CO 0.17 0.25 0.05 0.15 0.37 0.00 0.00 175.52 176.51 1nl4 h PHE 253 N 1.13 0.27 -0.44 3.16 3.57 -1.38 -1.61 116.94 121.63 1nl4 h PHE 253 Ca 0.29 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1nl4 h PHE 253 Cb -0.02 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1nl4 h PHE 253 CO 0.01 0.37 0.02 0.00 -2.23 0.00 0.00 178.31 176.47 1nl4 h GLY 255 N 0.13 -0.56 -0.20 0.00 0.00 -0.69 0.22 103.07 101.96 1nl4 h GLY 255 Ca 0.22 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.84 1nl4 h GLY 255 CO -0.35 -0.20 -0.46 -2.00 0.00 0.00 0.00 176.54 173.53 1nl4 h LEU 256 N -0.18 -1.51 -0.47 3.11 5.85 -1.19 0.38 115.31 121.31 1nl4 h LEU 256 Ca -0.01 0.21 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1nl4 h LEU 256 Cb 0.15 0.63 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1nl4 h LEU 256 CO 0.01 -0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 177.57 1nl4 h ALA 257 N 0.16 0.30 -0.33 1.25 0.00 -0.38 0.41 119.26 120.67 1nl4 h ALA 257 Ca 0.09 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1nl4 h ALA 257 Cb 0.62 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1nl4 h ALA 257 CO -0.51 -0.45 -0.05 0.00 0.00 0.00 0.00 179.25 178.24 1nl4 h ALA 258 N 1.45 0.25 -0.42 0.00 0.00 0.17 -0.28 119.26 120.43 1nl4 h ALA 258 Ca 0.23 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1nl4 h ALA 258 Cb 0.35 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nl4 h ALA 258 CO -0.49 -0.44 0.15 -0.07 0.00 0.00 0.00 179.25 178.40 1nl4 h LEU 259 N 0.04 0.55 -0.54 0.00 3.38 0.21 -2.00 115.31 116.94 1nl4 h LEU 259 Ca 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1nl4 h LEU 259 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1nl4 h LEU 259 CO -0.31 0.52 0.18 0.58 0.09 0.00 0.00 178.44 179.50 1nl4 h VAL 260 N 0.60 1.23 -0.36 1.22 2.07 0.98 0.64 116.25 122.63 1nl4 h VAL 260 Ca 0.14 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1nl4 h VAL 260 Cb 0.16 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1nl4 h VAL 260 CO -0.01 0.29 0.22 0.40 0.02 0.00 0.00 177.57 178.49 1nl4 h ILE 261 N 0.75 1.11 0.00 4.57 2.04 -0.45 -0.09 117.51 125.45 1nl4 h ILE 261 Ca 0.18 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1nl4 h ILE 261 Cb 0.26 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1nl4 h ILE 261 CO -0.01 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1nl4 n LEU 262 N -4.81 0.00 -2.47 1.44 4.77 -0.81 -4.88 117.00 110.23 1nl4 n LEU 262 Ca -0.00 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1nl4 n LEU 262 Cb 0.04 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1nl4 n LEU 262 CO 0.35 -0.06 0.10 0.29 -1.33 0.00 0.00 177.39 176.73 1nl4 n LYS 263 N -1.26 -4.36 -1.42 3.23 5.02 0.61 -4.94 118.16 115.02 1nl4 n LYS 263 Ca 0.12 0.52 0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1nl4 n LYS 263 Cb 0.18 -4.58 0.01 0.00 -0.02 0.00 0.00 35.03 30.62 1nl4 n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nl4 n LYS 264 N -3.05 0.00 -0.30 1.97 5.02 0.19 -4.88 118.16 117.11 1nl4 n LYS 264 Ca -0.12 -1.87 0.14 0.00 -2.02 0.00 0.00 58.31 54.44 1nl4 n LYS 264 Cb 0.58 0.03 0.31 0.00 -0.02 0.00 0.00 35.03 35.93 1nl4 n LYS 264 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nl4 h GLU 265 N 0.88 0.29 0.00 1.97 3.07 -1.88 0.55 114.58 119.45 1nl4 h GLU 265 Ca -0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1nl4 h GLU 265 Cb 1.84 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 1nl4 h GLU 265 CO 0.06 0.19 0.19 0.54 -1.40 0.00 0.00 179.01 178.59 1nl4 n ARG 266 N -5.13 0.00 0.00 2.33 1.74 -1.26 -0.62 116.66 113.72 1nl4 n ARG 266 Ca 0.22 0.22 0.07 0.00 -0.77 0.00 0.00 57.85 57.60 1nl4 n ARG 266 Cb 0.69 -1.69 0.37 0.00 -1.02 0.00 0.00 32.46 30.81 1nl4 n ARG 266 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1nl4 n SER 267 N -1.18 0.00 -4.77 0.55 7.64 0.19 -4.72 113.62 111.32 1nl4 n SER 267 Ca 0.00 0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.81 1nl4 n SER 267 Cb 0.19 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1nl4 n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nl4 s LEU 268 N -2.69 3.02 -0.98 -3.43 1.43 0.21 -4.86 118.68 111.39 1nl4 s LEU 268 Ca 0.13 -1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 1nl4 s LEU 268 Cb 0.10 -1.39 0.20 0.00 0.03 0.00 0.00 46.19 45.13 1nl4 s LEU 268 CO 0.25 -0.65 1.06 0.21 0.23 0.00 0.00 176.35 177.45 1nl4 s ASN 269 N -3.97 6.89 0.40 2.29 3.84 -1.26 -4.86 114.94 118.27 1nl4 s ASN 269 Ca 0.38 -2.73 0.12 0.00 0.21 0.00 0.00 52.86 50.83 1nl4 s ASN 269 Cb 0.02 -2.30 0.93 0.00 -0.55 0.00 0.00 41.25 39.36 1nl4 s ASN 269 CO 0.21 -0.69 1.94 -0.07 -2.79 0.00 0.00 177.10 175.70 1nl4 h LEU 270 N 8.69 0.49 0.16 3.21 3.38 -1.92 -1.92 115.31 127.40 1nl4 h LEU 270 Ca 0.17 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1nl4 h LEU 270 Cb 0.97 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1nl4 h LEU 270 CO 1.00 0.28 -0.21 0.11 0.09 0.00 0.00 178.44 179.71 1nl4 h LYS 271 N 0.54 -0.37 -0.10 1.13 1.79 -1.99 0.28 116.57 117.85 1nl4 h LYS 271 Ca 0.33 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1nl4 h LYS 271 Cb 0.57 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1nl4 h LYS 271 CO -0.11 -0.25 0.07 0.66 -1.08 0.00 0.00 179.45 178.74 1nl4 h SER 272 N -0.38 0.08 -0.40 0.86 4.64 -1.89 -0.19 113.55 116.26 1nl4 h SER 272 Ca -0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1nl4 h SER 272 Cb 0.34 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1nl4 h SER 272 CO -0.05 0.05 0.25 0.25 -0.87 0.00 0.00 176.83 176.46 1nl4 h LEU 273 N 0.09 0.48 -0.11 5.97 5.85 -0.65 -1.06 115.31 125.88 1nl4 h LEU 273 Ca 0.04 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1nl4 h LEU 273 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1nl4 h LEU 273 CO -0.01 0.38 0.07 0.25 -0.34 0.00 0.00 178.44 178.79 1nl4 h LEU 274 N 0.53 0.12 -1.89 2.25 5.85 0.13 -1.93 115.31 120.37 1nl4 h LEU 274 Ca 0.14 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1nl4 h LEU 274 Cb -0.01 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nl4 h LEU 274 CO -0.03 0.10 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.44 1nl4 h GLN 275 N 0.14 0.00 0.06 1.25 -0.00 -0.89 -2.16 115.11 113.51 1nl4 h GLN 275 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1nl4 h GLN 275 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1nl4 h GLN 275 CO -0.01 0.11 -0.03 2.35 0.00 0.00 0.00 178.83 181.25 1nl4 h TRP 276 N 0.00 -0.08 -0.09 3.99 7.01 -0.64 -2.88 115.95 123.26 1nl4 h TRP 276 Ca -0.00 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1nl4 h TRP 276 Cb 0.23 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1nl4 h TRP 276 CO 0.00 0.51 0.03 -0.24 -2.79 0.00 0.00 178.44 175.95 1nl4 h VAL 277 N -0.81 0.98 -0.12 2.65 3.04 -1.29 -2.09 116.25 118.62 1nl4 h VAL 277 Ca -0.01 -0.03 0.04 0.00 -1.01 0.00 0.00 66.70 65.69 1nl4 h VAL 277 Cb 0.62 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1nl4 h VAL 277 CO 0.01 0.01 0.11 0.71 -1.01 0.00 0.00 177.57 177.41 1nl4 h THR 278 N 0.08 0.67 0.00 3.17 1.35 -1.50 0.55 112.91 117.23 1nl4 h THR 278 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1nl4 h THR 278 Cb 0.02 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1nl4 h THR 278 CO -0.04 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.03 1nl4 n SER 279 N -4.10 0.31 0.00 5.36 7.64 -0.81 -3.41 113.62 118.61 1nl4 n SER 279 Ca -0.00 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.55 1nl4 n SER 279 Cb 0.22 -0.61 0.66 0.00 -1.01 0.00 0.00 64.21 63.46 1nl4 n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nl4 n ARG 280 N -1.79 0.22 -2.92 1.43 5.12 0.19 -4.77 116.66 114.14 1nl4 n ARG 280 Ca 0.06 0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.60 1nl4 n ARG 280 Cb 0.35 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.11 1nl4 n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1nl4 s GLN 281 N -2.76 4.49 -0.34 5.56 0.74 -1.22 -1.26 119.66 124.87 1nl4 s GLN 281 Ca 0.21 1.09 -0.29 0.00 0.05 0.00 0.00 55.36 56.42 1nl4 s GLN 281 Cb 0.18 -3.44 -0.00 0.00 1.10 0.00 0.00 33.01 30.85 1nl4 s GLN 281 CO 0.46 0.06 1.43 -1.64 -0.55 0.00 0.00 175.29 175.05 1nl4 s MET 282 N 0.75 3.70 0.49 1.67 -1.94 0.16 -4.90 119.30 119.23 1nl4 s MET 282 Ca 0.43 1.18 0.24 0.00 -1.71 0.00 0.00 55.69 55.82 1nl4 s MET 282 Cb -0.19 -3.99 1.30 0.00 2.01 0.00 0.00 34.83 33.96 1nl4 s MET 282 CO 0.22 -1.40 1.91 0.07 -0.01 0.00 0.00 175.02 175.81 1nl4 h ARG 283 N 10.37 0.16 0.07 2.03 0.11 -1.89 0.42 114.38 125.65 1nl4 h ARG 283 Ca -0.28 -0.01 -0.37 0.00 0.10 0.00 0.00 59.98 59.41 1nl4 h ARG 283 Cb 1.11 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 32.12 1nl4 h ARG 283 CO 1.05 0.11 -2.20 0.34 0.10 0.00 0.00 179.97 179.37 1nl4 n PHE 284 N -4.39 0.70 0.05 4.08 7.35 -1.26 -4.54 117.46 119.46 1nl4 n PHE 284 Ca 0.16 0.15 -0.10 0.00 -0.76 0.00 0.00 57.45 56.91 1nl4 n PHE 284 Cb 0.75 -1.09 -0.13 0.00 0.35 0.00 0.00 39.48 39.36 1nl4 n PHE 284 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1nl4 h GLU 285 N 0.04 0.07 0.00 -4.13 3.07 -1.81 -3.48 114.58 108.33 1nl4 h GLU 285 Ca -0.49 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.26 1nl4 h GLU 285 Cb 1.99 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.94 1nl4 h GLU 285 CO 0.01 0.96 0.00 0.41 -1.40 0.00 0.00 179.01 179.00 1nl4 n GLY 286 N 1.44 2.97 3.96 -3.84 0.00 0.14 -4.47 105.19 105.41 1nl4 n GLY 286 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1nl4 n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nl4 s GLY 287 N -2.06 1.79 0.32 -0.02 0.00 -1.26 -3.31 107.32 102.79 1nl4 s GLY 287 Ca 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 44.72 43.25 1nl4 s GLY 287 CO 0.00 -0.79 0.34 -1.36 0.00 0.00 0.00 173.10 171.28 1nl4 s PHE 288 N -3.64 3.01 0.07 1.90 0.40 -1.26 0.37 117.98 118.82 1nl4 s PHE 288 Ca 0.73 -0.25 0.09 0.00 -0.60 0.00 0.00 56.93 56.90 1nl4 s PHE 288 Cb -0.03 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1nl4 s PHE 288 CO 0.50 0.17 -0.25 1.14 0.70 0.00 0.00 175.22 177.49 1nl4 s GLN 289 N -4.03 1.56 0.30 0.44 -2.07 -0.39 -1.82 119.66 113.66 1nl4 s GLN 289 Ca 0.41 -1.12 0.15 0.00 -1.82 0.00 0.00 55.36 52.98 1nl4 s GLN 289 Cb -0.07 -1.80 0.35 0.00 -1.09 0.00 0.00 33.01 30.40 1nl4 s GLN 289 CO 0.28 0.45 1.57 0.78 -1.32 0.00 0.00 175.29 177.05 1nl4 h GLY 290 N 4.58 0.00 -5.16 2.60 0.00 -1.89 -3.45 103.07 99.75 1nl4 h GLY 290 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1nl4 h GLY 290 CO 0.42 0.00 -0.55 0.50 0.00 0.00 0.00 176.54 176.91 1nl4 s ARG 291 N -3.30 0.28 0.18 4.80 0.52 -1.26 -0.32 118.95 119.86 1nl4 s ARG 291 Ca 0.01 -0.11 -0.33 0.00 -0.52 0.00 0.00 55.73 54.79 1nl4 s ARG 291 Cb 0.10 0.12 -0.15 0.00 0.52 0.00 0.00 34.95 35.54 1nl4 s ARG 291 CO 0.73 -0.06 1.21 0.00 0.02 0.00 0.00 175.30 177.20 1nl4 n ASN 293 N 2.06 -4.54 -3.76 0.00 3.02 -1.26 -5.01 115.26 105.77 1nl4 n ASN 293 Ca 0.15 0.07 -0.18 0.00 -0.03 0.00 0.00 54.58 54.59 1nl4 n ASN 293 Cb 0.25 -3.61 -0.01 0.00 -0.61 0.00 0.00 39.78 35.80 1nl4 n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nl4 n LYS 294 N -2.45 1.05 -3.32 3.52 4.76 -0.07 -5.01 118.16 116.64 1nl4 n LYS 294 Ca -0.17 -2.22 -0.19 0.00 -2.87 0.00 0.00 58.31 52.86 1nl4 n LYS 294 Cb 0.60 0.35 -0.00 0.00 -1.84 0.00 0.00 35.03 34.14 1nl4 n LYS 294 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nl4 s LEU 295 N 0.00 3.74 0.66 -0.35 1.43 -1.26 -4.95 118.68 117.95 1nl4 s LEU 295 Ca 0.14 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 1nl4 s LEU 295 Cb -0.01 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1nl4 s LEU 295 CO 0.09 -0.59 1.16 -0.69 0.23 0.00 0.00 176.35 176.55 1nl4 s VAL 296 N -2.29 2.80 -0.29 -1.59 1.01 -1.26 -4.29 120.40 114.49 1nl4 s VAL 296 Ca 0.49 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1nl4 s VAL 296 Cb -0.09 -3.00 0.17 0.00 0.00 0.00 0.00 36.38 33.46 1nl4 s VAL 296 CO 0.31 -0.19 0.59 -0.62 0.00 0.00 0.00 175.10 175.19 1nl4 s ASP 297 N -2.13 -1.16 0.21 3.32 -1.08 -0.75 -4.86 116.67 110.20 1nl4 s ASP 297 Ca 0.72 0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 53.72 1nl4 s ASP 297 Cb -0.26 2.09 0.45 0.00 -1.46 0.00 0.00 42.92 43.74 1nl4 s ASP 297 CO 0.40 -0.25 1.09 0.61 0.52 0.00 0.00 175.17 177.53 1nl4 n GLY 298 N 5.43 -1.03 0.36 2.66 0.00 0.41 0.36 105.19 113.38 1nl4 n GLY 298 Ca -0.04 0.71 0.13 0.00 0.00 0.00 0.00 46.02 46.82 1nl4 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nl4 n TYR 300 N -4.70 0.00 0.19 0.00 4.02 0.16 -0.71 117.16 116.12 1nl4 n TYR 300 Ca 0.22 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.14 1nl4 n TYR 300 Cb 0.57 0.00 0.40 0.00 -0.02 0.00 0.00 39.34 40.29 1nl4 n TYR 300 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1nl4 h SER 301 N 0.00 0.04 0.00 7.72 0.02 0.75 -1.80 113.55 120.28 1nl4 h SER 301 Ca 0.00 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1nl4 h SER 301 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1nl4 h SER 301 CO 0.00 0.33 -1.32 0.33 -1.14 0.00 0.00 176.83 175.03 1nl4 n PHE 302 N -4.19 0.19 -0.31 3.45 7.35 0.12 -3.30 117.46 120.76 1nl4 n PHE 302 Ca -0.02 0.08 0.16 0.00 -0.76 0.00 0.00 57.45 56.91 1nl4 n PHE 302 Cb 0.34 -0.69 0.35 0.00 0.35 0.00 0.00 39.48 39.83 1nl4 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1nl4 h TRP 303 N -1.00 0.62 0.00 -5.13 -0.00 -1.62 0.41 115.95 109.23 1nl4 h TRP 303 Ca -0.19 0.04 -0.13 0.00 -0.00 0.00 0.00 58.89 58.61 1nl4 h TRP 303 Cb 1.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 30.11 1nl4 h TRP 303 CO -0.29 -0.14 -0.84 1.96 -0.00 0.00 0.00 178.44 179.13 1nl4 h GLN 304 N 0.31 0.00 -0.41 0.49 1.08 -1.55 -3.38 115.11 111.65 1nl4 h GLN 304 Ca 0.61 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.84 1nl4 h GLN 304 Cb 1.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 1nl4 h GLN 304 CO -0.60 0.71 0.27 0.00 -0.95 0.00 0.00 178.83 178.26 1nl4 h ALA 305 N -0.57 1.85 0.00 3.87 0.00 -1.49 -1.73 119.26 121.18 1nl4 h ALA 305 Ca -0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nl4 h ALA 305 Cb 1.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nl4 h ALA 305 CO -0.12 0.10 -0.01 0.78 0.00 0.00 0.00 179.25 180.00 1nl4 h GLY 306 N 0.43 0.00 1.49 0.00 0.00 -0.35 -2.60 103.07 102.04 1nl4 h GLY 306 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1nl4 h GLY 306 CO -0.04 0.00 0.16 1.41 0.00 0.00 0.00 176.54 178.07 1nl4 h LEU 307 N 0.00 0.59 -0.13 3.11 3.38 -1.48 -3.06 115.31 117.72 1nl4 h LEU 307 Ca -0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nl4 h LEU 307 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1nl4 h LEU 307 CO 0.00 0.56 0.06 -0.07 0.09 0.00 0.00 178.44 179.07 1nl4 h LEU 308 N 0.65 0.08 -1.14 1.67 3.38 -1.63 0.85 115.31 119.17 1nl4 h LEU 308 Ca 0.15 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1nl4 h LEU 308 Cb 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1nl4 h LEU 308 CO -0.01 0.07 0.59 -0.65 0.09 0.00 0.00 178.44 178.52 1nl4 h PRO 309 N 0.13 1.05 -0.14 1.13 0.11 -1.71 0.86 132.00 133.43 1nl4 h PRO 309 Ca 0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1nl4 h PRO 309 Cb 0.01 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1nl4 h PRO 309 CO -0.04 0.70 0.06 -0.07 -0.21 0.00 0.00 178.00 178.44 1nl4 h LEU 310 N 1.09 0.19 -1.80 2.35 3.38 -1.26 -1.89 115.31 117.38 1nl4 h LEU 310 Ca 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1nl4 h LEU 310 Cb 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nl4 h LEU 310 CO -0.12 0.29 -0.12 -0.07 0.09 0.00 0.00 178.44 178.51 1nl4 h LEU 311 N 0.08 0.00 0.65 1.67 3.38 0.32 -2.50 115.31 118.91 1nl4 h LEU 311 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nl4 h LEU 311 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nl4 h LEU 311 CO -0.00 0.12 -0.31 -0.74 0.09 0.00 0.00 178.44 177.60 1nl4 h HIS 312 N 0.00 -0.81 0.00 1.13 2.76 0.14 -1.01 115.15 117.37 1nl4 h HIS 312 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1nl4 h HIS 312 Cb 0.23 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1nl4 h HIS 312 CO 0.00 -0.50 0.00 0.54 -1.30 0.00 0.00 177.93 176.67 1nl4 n ARG 313 N -4.42 0.00 -0.14 5.26 1.74 -1.03 0.22 116.66 118.29 1nl4 n ARG 313 Ca -0.11 0.98 -0.04 0.00 -0.77 0.00 0.00 57.85 57.92 1nl4 n ARG 313 Cb 0.34 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1nl4 n ARG 313 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nl4 n ALA 314 N -2.97 -0.21 -0.18 7.54 0.00 -0.95 0.27 120.51 124.01 1nl4 n ALA 314 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1nl4 n ALA 314 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.56 1nl4 n ALA 314 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nl4 h LEU 315 N 0.00 0.63 -1.46 0.00 3.38 -0.07 -0.79 115.31 117.00 1nl4 h LEU 315 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nl4 h LEU 315 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1nl4 h LEU 315 CO -0.31 0.52 -0.02 -0.74 0.09 0.00 0.00 178.44 177.98 1nl4 h HIS 316 N 0.68 0.34 -0.65 1.13 2.76 0.33 -1.36 115.15 118.39 1nl4 h HIS 316 Ca 0.18 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1nl4 h HIS 316 Cb 0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1nl4 h HIS 316 CO -0.02 0.36 0.34 0.00 -1.30 0.00 0.00 177.93 177.31 1nl4 h ALA 317 N 1.67 1.37 -0.84 5.26 0.00 0.52 0.33 119.26 127.57 1nl4 h ALA 317 Ca 0.07 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1nl4 h ALA 317 Cb 0.25 -0.26 -0.24 0.00 0.00 0.00 0.00 17.79 17.54 1nl4 h ALA 317 CO 0.01 0.50 0.77 0.00 0.00 0.00 0.00 179.25 180.53 1nl4 n GLN 318 N -4.36 2.48 -3.93 0.00 10.64 -0.63 -4.90 117.38 116.68 1nl4 n GLN 318 Ca 0.06 -2.86 -0.39 0.00 -1.83 0.00 0.00 57.00 51.98 1nl4 n GLN 318 Cb 0.11 -2.12 0.02 0.00 -0.86 0.00 0.00 30.24 27.39 1nl4 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1nl4 n GLY 319 N -0.37 -0.83 3.60 2.61 0.00 0.10 -4.91 105.19 105.38 1nl4 n GLY 319 Ca 0.53 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 46.49 1nl4 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nl4 s ASP 320 N -3.59 6.59 -0.02 1.61 3.68 -0.61 -4.94 116.67 119.40 1nl4 s ASP 320 Ca 0.44 0.50 -0.24 0.00 2.13 0.00 0.00 52.55 55.38 1nl4 s ASP 320 Cb -0.21 -2.39 -0.20 0.00 -1.45 0.00 0.00 42.92 38.67 1nl4 s ASP 320 CO 0.93 -0.65 1.20 -0.65 0.13 0.00 0.00 175.17 176.13 1nl4 h PRO 321 N 8.28 0.14 0.00 4.34 0.11 -1.91 -3.27 132.00 139.70 1nl4 h PRO 321 Ca -0.25 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1nl4 h PRO 321 Cb 1.10 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nl4 h PRO 321 CO 0.89 0.69 0.00 0.00 -0.21 0.00 0.00 178.00 179.37 1nl4 n ALA 322 N -2.43 1.32 -1.85 -0.75 0.00 -1.26 -4.76 120.51 110.79 1nl4 n ALA 322 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1nl4 n ALA 322 Cb 0.35 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1nl4 n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nl4 s LEU 323 N -1.04 4.62 0.84 0.00 1.43 -1.24 -5.04 118.68 118.26 1nl4 s LEU 323 Ca 0.00 1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 54.86 1nl4 s LEU 323 Cb 0.00 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.79 1nl4 s LEU 323 CO 0.00 0.16 1.12 -0.55 0.23 0.00 0.00 176.35 177.30 1nl4 s SER 324 N -1.08 3.73 -0.05 2.29 0.15 -1.26 -4.96 113.70 112.53 1nl4 s SER 324 Ca 0.40 1.98 0.08 0.00 0.70 0.00 0.00 55.95 59.11 1nl4 s SER 324 Cb -0.25 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.71 1nl4 s SER 324 CO 0.30 -2.55 1.12 0.23 1.20 0.00 0.00 173.24 173.54 1nl4 n MET 325 N -3.87 2.56 0.00 5.44 0.00 -1.26 -4.73 117.12 115.27 1nl4 n MET 325 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 57.70 55.81 1nl4 n MET 325 Cb 0.53 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.50 1nl4 n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1nl4 n SER 326 N -0.53 0.00 -4.18 7.83 3.41 -1.26 -4.64 113.62 114.25 1nl4 n SER 326 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1nl4 n SER 326 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1nl4 n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nl4 s HIS 327 N -0.14 0.99 0.40 7.33 3.76 -1.26 -4.39 115.29 121.97 1nl4 s HIS 327 Ca 0.00 -1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 53.66 1nl4 s HIS 327 Cb 0.00 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 1nl4 s HIS 327 CO 0.00 -0.42 0.72 -1.58 -0.85 0.00 0.00 174.74 172.61 1nl4 s TRP 328 N -3.92 3.49 0.00 1.40 0.23 -1.26 -4.71 118.94 114.17 1nl4 s TRP 328 Ca 0.25 0.88 -0.03 0.00 -2.03 0.00 0.00 56.10 55.17 1nl4 s TRP 328 Cb 0.07 -2.32 -0.15 0.00 0.03 0.00 0.00 33.47 31.10 1nl4 s TRP 328 CO 0.03 -0.08 2.51 -1.33 0.96 0.00 0.00 176.95 179.04 1nl4 n MET 329 N -1.46 1.32 -3.58 4.98 2.81 -1.26 -4.68 117.12 115.24 1nl4 n MET 329 Ca 0.01 -0.55 -0.15 0.00 -1.81 0.00 0.00 57.70 55.20 1nl4 n MET 329 Cb 0.54 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.33 1nl4 n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1nl4 s PHE 330 N 1.18 -0.46 -1.01 2.03 -0.12 -1.26 -4.87 117.98 113.47 1nl4 s PHE 330 Ca 0.37 0.63 -0.26 0.00 -0.05 0.00 0.00 56.93 57.62 1nl4 s PHE 330 Cb 0.18 0.33 -0.17 0.00 -0.63 0.00 0.00 43.02 42.72 1nl4 s PHE 330 CO 0.00 -0.60 2.15 -1.58 -0.05 0.00 0.00 175.22 175.14 1nl4 s HIS 331 N -1.94 1.34 0.31 3.49 5.65 -1.26 -4.75 115.29 118.14 1nl4 s HIS 331 Ca -0.08 1.86 0.06 0.00 0.25 0.00 0.00 55.06 57.15 1nl4 s HIS 331 Cb -0.01 -3.50 0.74 0.00 -1.18 0.00 0.00 32.58 28.63 1nl4 s HIS 331 CO 0.02 -1.04 1.79 1.96 -0.65 0.00 0.00 174.74 176.82 1nl4 h GLN 332 N 11.58 0.75 0.71 2.88 4.20 -1.88 -1.98 115.11 131.37 1nl4 h GLN 332 Ca 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1nl4 h GLN 332 Cb 0.99 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1nl4 h GLN 332 CO 1.06 0.49 -0.39 0.37 -0.67 0.00 0.00 178.83 179.69 1nl4 h GLN 333 N 0.77 -0.97 -0.55 1.46 4.15 -1.88 -2.55 115.11 115.53 1nl4 h GLN 333 Ca 0.56 0.07 0.11 0.00 0.77 0.00 0.00 58.65 60.16 1nl4 h GLN 333 Cb 0.87 0.22 -0.10 0.00 0.21 0.00 0.00 27.48 28.69 1nl4 h GLN 333 CO -0.35 -0.65 -0.05 0.00 -1.93 0.00 0.00 178.83 175.85 1nl4 h ALA 334 N -1.42 0.47 -0.76 3.38 0.00 -1.78 -0.64 119.26 118.51 1nl4 h ALA 334 Ca -0.10 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nl4 h ALA 334 Cb 0.79 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1nl4 h ALA 334 CO 0.13 -0.41 0.50 1.25 0.00 0.00 0.00 179.25 180.72 1nl4 h LEU 335 N 0.07 0.83 -0.97 0.00 5.85 -1.35 -0.10 115.31 119.64 1nl4 h LEU 335 Ca 0.27 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1nl4 h LEU 335 Cb 0.43 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1nl4 h LEU 335 CO -0.50 0.58 -0.31 1.56 -0.34 0.00 0.00 178.44 179.43 1nl4 h GLN 336 N 0.97 0.36 0.63 1.25 4.20 -0.71 -1.57 115.11 120.23 1nl4 h GLN 336 Ca 0.29 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1nl4 h GLN 336 Cb -0.02 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1nl4 h GLN 336 CO -0.08 0.64 -0.30 0.93 -0.67 0.00 0.00 178.83 179.35 1nl4 h GLU 337 N 0.31 -0.82 -0.75 1.46 5.08 -0.38 -1.20 114.58 118.29 1nl4 h GLU 337 Ca 0.04 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1nl4 h GLU 337 Cb 0.71 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 30.04 1nl4 h GLU 337 CO 0.05 -0.54 -0.53 -0.92 -1.00 0.00 0.00 179.01 176.07 1nl4 h TYR 338 N -1.18 -1.64 0.22 4.33 3.20 -0.92 0.66 116.97 121.64 1nl4 h TYR 338 Ca -0.09 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1nl4 h TYR 338 Cb 0.65 0.82 -0.04 0.00 1.54 0.00 0.00 36.73 39.70 1nl4 h TYR 338 CO 0.01 -0.42 -0.49 0.82 -1.64 0.00 0.00 178.16 176.43 1nl4 h ILE 339 N -0.16 0.00 -0.33 1.81 2.04 -1.32 0.61 117.51 120.17 1nl4 h ILE 339 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1nl4 h ILE 339 Cb 0.51 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1nl4 h ILE 339 CO -0.80 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.26 1nl4 h LEU 340 N -0.78 -0.18 0.07 1.44 3.38 -0.07 0.18 115.31 119.34 1nl4 h LEU 340 Ca -0.02 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1nl4 h LEU 340 Cb 0.75 0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1nl4 h LEU 340 CO -0.21 -0.05 -0.77 0.24 0.09 0.00 0.00 178.44 177.74 1nl4 h MET 341 N 0.07 0.41 0.00 1.13 2.86 0.41 -3.40 114.93 116.40 1nl4 h MET 341 Ca 0.16 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1nl4 h MET 341 Cb 0.23 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1nl4 h MET 341 CO -0.29 1.19 -1.96 0.00 1.06 0.00 0.00 176.91 176.91 1nl4 s GLN 344 N -1.82 3.86 -0.27 0.00 0.74 -1.22 0.42 119.66 121.36 1nl4 s GLN 344 Ca 0.29 0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.71 1nl4 s GLN 344 Cb 0.20 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 1nl4 s GLN 344 CO 0.11 0.59 0.22 0.00 -0.55 0.00 0.00 175.29 175.65 1nl4 h PRO 346 N 8.13 -0.07 0.00 0.00 0.11 -1.97 1.87 132.00 140.07 1nl4 h PRO 346 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1nl4 h PRO 346 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1nl4 h PRO 346 CO 0.59 -0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 1nl4 n ALA 347 N -3.33 1.31 0.00 -0.75 0.00 -1.26 -4.92 120.51 111.55 1nl4 n ALA 347 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nl4 n ALA 347 Cb 0.38 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1nl4 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nl4 n GLY 348 N -0.77 3.16 0.00 0.00 0.00 0.64 -4.75 105.19 103.47 1nl4 n GLY 348 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1nl4 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl4 n GLY 349 N -0.54 0.48 3.92 -0.02 0.00 -1.26 -4.56 105.19 103.20 1nl4 n GLY 349 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1nl4 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nl4 s LEU 350 N -1.16 3.03 0.26 0.99 2.01 -1.26 -0.14 118.68 122.41 1nl4 s LEU 350 Ca 0.00 -0.99 -0.14 0.00 0.01 0.00 0.00 54.13 53.01 1nl4 s LEU 350 Cb 0.00 -1.60 0.00 0.00 0.01 0.00 0.00 46.19 44.61 1nl4 s LEU 350 CO 0.00 -0.98 0.53 -1.48 1.01 0.00 0.00 176.35 175.43 1nl4 s LEU 351 N -4.30 0.22 0.02 1.79 0.05 0.17 -3.77 118.68 112.86 1nl4 s LEU 351 Ca 0.45 -0.89 -0.07 0.00 0.05 0.00 0.00 54.13 53.67 1nl4 s LEU 351 Cb -0.03 1.96 -0.03 0.00 -2.05 0.00 0.00 46.19 46.04 1nl4 s LEU 351 CO 0.27 -1.19 1.12 -0.78 -0.55 0.00 0.00 176.35 175.21 1nl4 h ASP 352 N 2.20 -0.37 -5.06 1.48 1.82 -1.86 -3.38 116.42 111.25 1nl4 h ASP 352 Ca -0.25 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.45 1nl4 h ASP 352 Cb 1.25 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 41.32 1nl4 h ASP 352 CO 0.33 -0.10 0.12 -1.59 -1.61 0.00 0.00 179.24 176.39 1nl4 s LYS 353 N -3.57 1.54 0.25 0.28 -2.85 -1.26 -0.44 119.74 113.69 1nl4 s LYS 353 Ca -0.03 -0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1nl4 s LYS 353 Cb 0.02 0.56 -0.14 0.00 -2.06 0.00 0.00 37.83 36.20 1nl4 s LYS 353 CO 0.13 -0.68 1.16 -0.35 0.10 0.00 0.00 175.35 175.71 1nl4 n PRO 354 N -0.40 1.50 0.00 1.78 -0.04 -1.23 -0.68 135.00 135.94 1nl4 n PRO 354 Ca -0.08 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1nl4 n PRO 354 Cb 0.61 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1nl4 n PRO 354 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nl4 n GLY 355 N 1.60 3.10 3.78 0.55 0.00 -1.26 -5.04 105.19 107.92 1nl4 n GLY 355 Ca 0.11 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1nl4 n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nl4 s LYS 356 N 0.00 3.81 0.80 1.61 -0.14 0.14 -5.03 119.74 120.93 1nl4 s LYS 356 Ca 0.00 1.51 -0.11 0.00 -1.36 0.00 0.00 55.97 56.01 1nl4 s LYS 356 Cb 0.00 -2.24 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 1nl4 s LYS 356 CO 0.00 -0.45 1.09 -1.12 -0.76 0.00 0.00 175.35 174.11 1nl4 s SER 357 N -1.73 4.47 0.28 2.83 0.01 -1.26 -4.76 113.70 113.54 1nl4 s SER 357 Ca 0.65 1.39 -0.06 0.00 1.31 0.00 0.00 55.95 59.25 1nl4 s SER 357 Cb -0.21 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1nl4 s SER 357 CO 0.25 -1.99 0.56 0.00 0.41 0.00 0.00 173.24 172.47 1nl4 s ARG 358 N -5.10 3.66 0.03 12.44 1.70 -1.26 -4.45 118.95 125.96 1nl4 s ARG 358 Ca 0.61 0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 55.64 1nl4 s ARG 358 Cb -0.15 -2.64 0.10 0.00 -0.57 0.00 0.00 34.95 31.69 1nl4 s ARG 358 CO 0.55 0.22 0.83 0.16 -1.08 0.00 0.00 175.30 175.97 1nl4 s ASP 359 N -3.06 -0.41 0.46 -2.89 1.47 -1.25 -5.04 116.67 105.95 1nl4 s ASP 359 Ca 0.45 0.00 0.22 0.00 1.18 0.00 0.00 52.55 54.39 1nl4 s ASP 359 Cb -0.11 0.43 1.14 0.00 -0.34 0.00 0.00 42.92 44.04 1nl4 s ASP 359 CO 0.29 -0.69 1.97 -0.26 0.68 0.00 0.00 175.17 177.15 1nl4 h PHE 360 N 2.00 0.00 0.55 2.11 -1.00 -1.98 -1.29 116.94 117.33 1nl4 h PHE 360 Ca -0.25 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.51 1nl4 h PHE 360 Cb 1.26 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.82 1nl4 h PHE 360 CO 0.25 0.21 -0.26 -0.92 -1.61 0.00 0.00 178.31 175.97 1nl4 h TYR 361 N 0.00 -0.69 -0.19 -0.55 3.20 -1.96 0.19 116.97 116.98 1nl4 h TYR 361 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1nl4 h TYR 361 Cb 0.47 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1nl4 h TYR 361 CO 0.00 -0.39 -0.25 0.45 -1.64 0.00 0.00 178.16 176.33 1nl4 h HIS 362 N -0.83 0.38 0.52 -3.82 3.86 -1.82 -1.39 115.15 112.05 1nl4 h HIS 362 Ca -0.08 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1nl4 h HIS 362 Cb 0.60 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1nl4 h HIS 362 CO -0.02 0.57 -0.35 1.15 0.86 0.00 0.00 177.93 180.15 1nl4 h THR 363 N 0.31 0.29 -0.88 2.45 2.02 -1.04 0.17 112.91 116.24 1nl4 h THR 363 Ca 0.05 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.39 1nl4 h THR 363 Cb 0.61 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1nl4 h THR 363 CO 0.04 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.50 1nl4 n TYR 365 N -4.55 0.59 -0.01 0.00 4.02 -0.57 -2.61 117.16 114.04 1nl4 n TYR 365 Ca 0.18 0.19 -0.13 0.00 -0.01 0.00 0.00 57.90 58.13 1nl4 n TYR 365 Cb 0.55 -0.91 -0.09 0.00 -0.02 0.00 0.00 39.34 38.86 1nl4 n TYR 365 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nl4 h LEU 367 N -0.40 0.73 -0.89 0.00 3.38 -1.62 0.44 115.31 116.96 1nl4 h LEU 367 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1nl4 h LEU 367 Cb 0.42 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1nl4 h LEU 367 CO 0.00 0.49 0.53 0.28 0.09 0.00 0.00 178.44 179.83 1nl4 h SER 368 N 0.87 1.07 -0.07 -0.43 0.02 -1.34 -0.66 113.55 113.02 1nl4 h SER 368 Ca 0.31 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1nl4 h SER 368 Cb 0.08 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1nl4 h SER 368 CO -0.14 0.83 0.01 1.23 -1.14 0.00 0.00 176.83 177.62 1nl4 h GLY 369 N 1.22 0.13 -0.26 -3.77 0.00 0.79 -1.20 103.07 99.97 1nl4 h GLY 369 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1nl4 h GLY 369 CO -0.06 0.08 -0.38 -2.00 0.00 0.00 0.00 176.54 174.18 1nl4 h LEU 370 N -0.15 -1.27 -1.00 3.11 5.85 0.32 0.23 115.31 122.40 1nl4 h LEU 370 Ca 0.02 0.17 0.22 0.00 0.84 0.00 0.00 57.88 59.12 1nl4 h LEU 370 Cb 0.31 0.52 -0.12 0.00 0.37 0.00 0.00 40.66 41.74 1nl4 h LEU 370 CO 0.00 -0.28 0.60 -1.28 -0.34 0.00 0.00 178.44 177.14 1nl4 h SER 371 N -0.29 0.72 -0.65 1.25 0.87 -1.06 0.71 113.55 115.11 1nl4 h SER 371 Ca 0.05 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1nl4 h SER 371 Cb 0.41 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1nl4 h SER 371 CO -0.40 0.18 0.37 0.40 -0.53 0.00 0.00 176.83 176.85 1nl4 h ILE 372 N 0.67 1.20 0.00 2.23 1.08 0.44 -1.41 117.51 121.72 1nl4 h ILE 372 Ca 0.61 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 64.53 1nl4 h ILE 372 Cb 1.07 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1nl4 h ILE 372 CO -0.43 0.21 -0.34 0.00 -0.69 0.00 0.00 178.15 176.90 1nl4 h ALA 373 N 1.18 1.27 0.00 1.87 0.00 0.33 -3.09 119.26 120.82 1nl4 h ALA 373 Ca 0.23 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1nl4 h ALA 373 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nl4 h ALA 373 CO -0.04 0.42 -0.78 1.96 0.00 0.00 0.00 179.25 180.82 1nl4 h GLN 374 N 0.00 0.00 -5.02 0.00 4.20 0.02 -3.41 115.11 110.90 1nl4 h GLN 374 Ca -0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 1nl4 h GLN 374 Cb 0.67 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.11 1nl4 h GLN 374 CO 0.04 0.28 -0.86 -1.01 -0.67 0.00 0.00 178.83 176.62 1nl4 s HIS 375 N -3.05 2.39 0.23 2.96 3.76 -0.59 -0.36 115.29 120.64 1nl4 s HIS 375 Ca 0.02 -1.18 0.10 0.00 -0.15 0.00 0.00 55.06 53.85 1nl4 s HIS 375 Cb 0.08 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 1nl4 s HIS 375 CO 0.76 -0.56 -0.11 0.12 -0.85 0.00 0.00 174.74 174.10 1nl4 s PHE 376 N 0.88 2.52 0.24 1.40 5.36 -1.25 -4.85 117.98 122.28 1nl4 s PHE 376 Ca -0.07 -0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 55.43 1nl4 s PHE 376 Cb -0.15 -1.16 0.03 0.00 -0.34 0.00 0.00 43.02 41.40 1nl4 s PHE 376 CO -0.02 0.60 0.64 0.20 -1.46 0.00 0.00 175.22 175.19 1nl4 s GLY 377 N -3.25 -0.17 -0.31 13.12 0.00 -1.26 -3.73 107.32 111.72 1nl4 s GLY 377 Ca 0.28 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1nl4 s GLY 377 CO 0.16 -0.09 1.03 -1.26 0.00 0.00 0.00 173.10 172.94 1nl4 n SER 378 N -0.42 -1.09 0.00 1.64 2.88 -1.24 -4.91 113.62 110.48 1nl4 n SER 378 Ca -0.08 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.86 1nl4 n SER 378 Cb 0.61 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 65.06 1nl4 n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nl4 n GLY 379 N -0.51 2.19 0.00 0.46 0.00 -1.26 -4.33 105.19 101.74 1nl4 n GLY 379 Ca -0.29 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1nl4 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nl4 n ALA 380 N 0.03 1.06 -1.96 4.61 0.00 -1.26 -5.08 120.51 117.91 1nl4 n ALA 380 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 1nl4 n ALA 380 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1nl4 n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nl4 s MET 381 N -0.17 3.70 -0.48 0.00 1.00 -1.26 -5.03 119.30 117.05 1nl4 s MET 381 Ca 0.00 0.68 0.06 0.00 0.00 0.00 0.00 55.69 56.43 1nl4 s MET 381 Cb 0.00 -2.18 0.25 0.00 0.00 0.00 0.00 34.83 32.91 1nl4 s MET 381 CO 0.00 -0.38 0.93 1.28 0.00 0.00 0.00 175.02 176.86 1nl4 n LEU 382 N -2.22 -2.79 -4.42 -0.03 7.99 -1.26 -3.72 117.00 110.54 1nl4 n LEU 382 Ca 0.05 -3.34 -0.45 0.00 -0.01 0.00 0.00 56.01 52.26 1nl4 n LEU 382 Cb 0.54 0.85 -0.02 0.00 -0.11 0.00 0.00 43.42 44.69 1nl4 n LEU 382 CO 0.53 2.00 0.96 -2.28 -1.51 0.00 0.00 177.39 177.09 1nl4 s HIS 383 N 0.62 3.40 0.66 -1.77 5.65 -1.24 -4.91 115.29 117.70 1nl4 s HIS 383 Ca 0.30 -1.76 -0.14 0.00 0.25 0.00 0.00 55.06 53.71 1nl4 s HIS 383 Cb 0.24 -4.17 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 1nl4 s HIS 383 CO -0.22 -1.34 1.10 -0.51 -0.65 0.00 0.00 174.74 173.12 1nl4 s ASP 384 N 3.03 5.16 -0.25 9.88 -0.00 -1.26 -3.89 116.67 129.34 1nl4 s ASP 384 Ca 0.32 1.92 -0.04 0.00 -0.00 0.00 0.00 52.55 54.75 1nl4 s ASP 384 Cb -0.06 -2.54 0.09 0.00 -0.00 0.00 0.00 42.92 40.41 1nl4 s ASP 384 CO -0.07 -1.59 0.13 -0.69 -0.00 0.00 0.00 175.17 172.95 1nl4 s VAL 385 N -2.47 -0.11 -0.30 -1.27 1.01 0.51 -4.99 120.40 112.78 1nl4 s VAL 385 Ca 0.65 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1nl4 s VAL 385 Cb -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1nl4 s VAL 385 CO 0.43 -0.56 0.11 -0.69 0.00 0.00 0.00 175.10 174.39 1nl4 s VAL 386 N 2.14 4.21 0.35 2.92 1.01 -1.26 -4.19 120.40 125.58 1nl4 s VAL 386 Ca 0.07 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1nl4 s VAL 386 Cb -0.16 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1nl4 s VAL 386 CO -0.27 0.07 1.10 -0.04 0.00 0.00 0.00 175.10 175.95 1nl4 s MET 387 N 1.54 4.34 2.03 2.72 -1.94 -1.26 -4.86 119.30 121.87 1nl4 s MET 387 Ca 0.03 1.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 1nl4 s MET 387 Cb -0.17 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1nl4 s MET 387 CO 0.04 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 1nl4 n GLY 388 N 0.77 0.87 3.03 -0.03 0.00 -1.26 -4.66 105.19 103.89 1nl4 n GLY 388 Ca 0.02 -0.71 -0.54 0.00 0.00 0.00 0.00 46.02 44.79 1nl4 n GLY 388 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nl4 n VAL 389 N 0.00 0.00 0.09 1.61 0.31 -0.88 -4.72 118.33 114.74 1nl4 n VAL 389 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1nl4 n VAL 389 Cb 0.00 -0.30 0.26 0.00 -0.91 0.00 0.00 33.84 32.89 1nl4 n VAL 389 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nl4 n PRO 390 N 2.74 0.06 0.00 5.55 -0.04 -1.26 0.81 135.00 142.87 1nl4 n PRO 390 Ca 0.23 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 1nl4 n PRO 390 Cb -0.02 -1.70 0.68 0.00 -0.04 0.00 0.00 33.50 32.42 1nl4 n PRO 390 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nl4 n GLU 391 N -1.83 0.42 0.09 0.54 4.71 -1.26 -2.77 120.64 120.54 1nl4 n GLU 391 Ca -0.00 0.03 0.13 0.00 -0.01 0.00 0.00 57.16 57.31 1nl4 n GLU 391 Cb 0.03 -1.50 0.45 0.00 -1.01 0.00 0.00 31.44 29.40 1nl4 n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nl4 n ASN 392 N -1.26 0.66 -4.77 1.62 5.03 0.24 -4.86 115.26 111.93 1nl4 n ASN 392 Ca 0.13 0.58 -0.40 0.00 0.87 0.00 0.00 54.58 55.77 1nl4 n ASN 392 Cb 0.20 -0.75 -0.00 0.00 -1.02 0.00 0.00 39.78 38.20 1nl4 n ASN 392 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nl4 s VAL 393 N -3.13 2.46 0.34 2.41 0.11 -1.11 -4.95 120.40 116.52 1nl4 s VAL 393 Ca 0.10 0.43 0.08 0.00 -2.93 0.00 0.00 61.98 59.66 1nl4 s VAL 393 Cb 0.12 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1nl4 s VAL 393 CO 0.53 0.08 0.16 -0.76 -3.33 0.00 0.00 175.10 171.79 1nl4 s LEU 394 N -2.28 3.30 0.74 2.54 1.43 -1.26 -5.03 118.68 118.12 1nl4 s LEU 394 Ca 0.55 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1nl4 s LEU 394 Cb -0.41 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1nl4 s LEU 394 CO 0.53 -0.31 1.15 -1.10 0.23 0.00 0.00 176.35 176.85 1nl4 s GLN 395 N -3.87 2.21 0.51 1.70 -1.52 -0.81 -4.99 119.66 112.89 1nl4 s GLN 395 Ca 0.38 1.50 -0.17 0.00 -1.95 0.00 0.00 55.36 55.12 1nl4 s GLN 395 Cb -0.03 -1.87 -0.08 0.00 -0.22 0.00 0.00 33.01 30.81 1nl4 s GLN 395 CO 0.23 -1.73 0.99 -1.25 -0.25 0.00 0.00 175.29 173.28 1nl4 s PRO 396 N -4.26 3.94 0.00 2.91 0.05 -1.26 -4.87 135.00 131.51 1nl4 s PRO 396 Ca 0.68 1.01 0.04 0.00 0.05 0.00 0.00 61.00 62.78 1nl4 s PRO 396 Cb -0.23 -2.13 -0.01 0.00 0.05 0.00 0.00 34.50 32.17 1nl4 s PRO 396 CO 0.48 -0.28 -0.12 -0.08 0.05 0.00 0.00 177.00 177.04 1nl4 s THR 397 N -2.53 0.96 -0.11 1.26 -1.32 -1.26 -4.09 115.64 108.55 1nl4 s THR 397 Ca 0.60 -0.63 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1nl4 s THR 397 Cb -0.10 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1nl4 s THR 397 CO 0.29 0.19 1.38 -2.28 -2.21 0.00 0.00 174.62 171.98 1nl4 s HIS 398 N -0.44 2.64 -2.00 9.09 2.46 0.17 -4.78 115.29 122.45 1nl4 s HIS 398 Ca 0.03 0.78 0.02 0.00 0.47 0.00 0.00 55.06 56.37 1nl4 s HIS 398 Cb -0.05 -3.63 0.13 0.00 -0.13 0.00 0.00 32.58 28.90 1nl4 s HIS 398 CO -0.00 -2.34 0.59 -0.35 -2.47 0.00 0.00 174.74 170.17 1nl4 n PRO 399 N 6.47 0.07 -0.04 2.88 -0.04 -1.26 0.41 135.00 143.50 1nl4 n PRO 399 Ca 0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1nl4 n PRO 399 Cb 0.44 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1nl4 n PRO 399 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nl4 n VAL 400 N -0.97 0.46 -0.03 0.52 0.31 -1.26 -4.73 118.33 112.63 1nl4 n VAL 400 Ca 0.02 -0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.24 1nl4 n VAL 400 Cb 0.01 -0.97 -0.17 0.00 -0.91 0.00 0.00 33.84 31.80 1nl4 n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1nl4 n TYR 401 N -2.88 0.00 -3.02 3.52 4.02 -1.17 -4.97 117.16 112.67 1nl4 n TYR 401 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1nl4 n TYR 401 Cb 0.64 -0.62 0.06 0.00 -0.02 0.00 0.00 39.34 39.41 1nl4 n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1nl4 n ASN 402 N -2.38 -2.31 -3.95 7.72 5.15 0.17 -5.00 115.26 114.67 1nl4 n ASN 402 Ca -0.11 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.32 1nl4 n ASN 402 Cb 0.71 -3.87 -0.07 0.00 -0.53 0.00 0.00 39.78 36.03 1nl4 n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1nl4 s ILE 403 N -3.26 0.08 -0.04 -1.44 -4.36 -1.25 -4.84 121.20 106.08 1nl4 s ILE 403 Ca 0.03 -1.36 -0.36 0.00 -0.26 0.00 0.00 60.65 58.70 1nl4 s ILE 403 Cb -0.00 -1.77 -0.14 0.00 1.25 0.00 0.00 42.46 41.79 1nl4 s ILE 403 CO 0.53 -0.35 1.67 0.61 0.24 0.00 0.00 174.94 177.64 1nl4 n GLY 404 N -0.19 1.04 0.50 6.27 0.00 -1.26 0.46 105.19 112.01 1nl4 n GLY 404 Ca -0.08 0.80 0.32 0.00 0.00 0.00 0.00 46.02 47.05 1nl4 n GLY 404 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nl4 h PRO 405 N 7.03 0.00 -0.14 1.61 0.13 -1.87 0.88 132.00 139.65 1nl4 h PRO 405 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1nl4 h PRO 405 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nl4 h PRO 405 CO 0.90 0.00 -0.70 0.38 -0.23 0.00 0.00 178.00 178.36 1nl4 h ASP 406 N 0.00 0.70 -0.35 1.44 2.03 -1.90 -2.20 116.42 116.15 1nl4 h ASP 406 Ca 0.49 -0.44 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 1nl4 h ASP 406 Cb 2.03 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 40.31 1nl4 h ASP 406 CO -0.01 1.20 0.04 0.11 -1.03 0.00 0.00 179.24 179.55 1nl4 h LYS 407 N 0.43 0.58 0.09 4.15 1.79 0.40 0.99 116.57 125.00 1nl4 h LYS 407 Ca -0.03 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1nl4 h LYS 407 Cb 1.29 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1nl4 h LYS 407 CO 0.13 0.68 -0.20 0.28 -1.08 0.00 0.00 179.45 179.26 1nl4 h VAL 408 N 0.41 0.00 -0.63 0.50 2.07 -1.12 0.24 116.25 117.72 1nl4 h VAL 408 Ca 0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1nl4 h VAL 408 Cb 0.39 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.03 1nl4 h VAL 408 CO 0.01 0.00 -0.26 0.40 0.02 0.00 0.00 177.57 177.74 1nl4 h ILE 409 N -0.32 0.23 -0.72 4.57 2.04 -1.37 0.12 117.51 122.05 1nl4 h ILE 409 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1nl4 h ILE 409 Cb 0.31 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 1nl4 h ILE 409 CO -0.08 0.00 0.31 -0.61 0.00 0.00 0.00 178.15 177.77 1nl4 h GLN 410 N -0.09 0.49 0.42 2.37 4.15 -0.36 -2.53 115.11 119.55 1nl4 h GLN 410 Ca 0.28 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1nl4 h GLN 410 Cb 0.53 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1nl4 h GLN 410 CO -0.69 0.32 -0.20 0.00 -1.93 0.00 0.00 178.83 176.32 1nl4 h ALA 411 N 1.49 -0.65 -0.83 3.38 0.00 0.20 -2.72 119.26 120.13 1nl4 h ALA 411 Ca 0.38 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.34 1nl4 h ALA 411 Cb 0.50 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.35 1nl4 h ALA 411 CO -0.34 -0.61 -0.11 1.79 0.00 0.00 0.00 179.25 179.98 1nl4 h THR 412 N -0.98 0.20 -0.66 0.00 1.35 -1.23 0.28 112.91 111.87 1nl4 h THR 412 Ca -0.06 -0.01 -0.04 0.00 -0.55 0.00 0.00 66.41 65.75 1nl4 h THR 412 Cb 0.43 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.99 1nl4 h THR 412 CO 0.10 0.01 0.23 0.71 -0.25 0.00 0.00 175.52 176.32 1nl4 h THR 413 N 0.03 1.24 -0.07 6.82 1.35 -1.53 0.54 112.91 121.29 1nl4 h THR 413 Ca 0.43 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1nl4 h THR 413 Cb 0.73 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1nl4 h THR 413 CO -0.80 0.31 0.03 -0.74 -0.25 0.00 0.00 175.52 174.07 1nl4 h HIS 414 N 0.96 0.09 0.00 4.73 6.17 -0.16 -1.87 115.15 125.07 1nl4 h HIS 414 Ca 0.22 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1nl4 h HIS 414 Cb 0.23 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1nl4 h HIS 414 CO 0.02 0.15 0.00 0.74 0.71 0.00 0.00 177.93 179.55 1nl4 h PHE 415 N 0.01 0.00 0.00 5.26 -1.00 -0.92 -2.78 116.94 117.50 1nl4 h PHE 415 Ca 0.02 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1nl4 h PHE 415 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1nl4 h PHE 415 CO -0.04 0.00 -0.20 1.25 -1.61 0.00 0.00 178.31 177.71 1nl4 h LEU 416 N 0.00 0.00 -1.19 1.54 5.85 0.93 -1.78 115.31 120.67 1nl4 h LEU 416 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1nl4 h LEU 416 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1nl4 h LEU 416 CO 0.00 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 1nl4 n GLN 417 N -4.01 1.70 -4.32 1.25 10.64 -1.05 -4.73 117.38 116.87 1nl4 n GLN 417 Ca -0.02 -0.70 -0.27 0.00 -1.83 0.00 0.00 57.00 54.17 1nl4 n GLN 417 Cb 0.28 -1.44 -0.10 0.00 -0.86 0.00 0.00 30.24 28.11 1nl4 n GLN 417 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1nl4 s LYS 418 N -1.57 1.88 0.21 2.61 3.01 -0.67 -5.12 119.74 120.10 1nl4 s LYS 418 Ca 0.12 -1.29 -0.20 0.00 -1.01 0.00 0.00 55.97 53.59 1nl4 s LYS 418 Cb 0.08 -2.09 -0.08 0.00 -1.01 0.00 0.00 37.83 34.73 1nl4 s LYS 418 CO 0.06 0.44 0.73 -1.25 0.51 0.00 0.00 175.35 175.84 1nl4 s PRO 419 N -2.61 4.30 0.12 -1.68 0.04 -1.26 -4.99 135.00 128.92 1nl4 s PRO 419 Ca 0.22 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1nl4 s PRO 419 Cb -0.09 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1nl4 s PRO 419 CO 0.13 0.42 1.64 0.08 0.04 0.00 0.00 177.00 179.31 1nl4 s VAL 420 N -1.46 2.75 -0.74 -0.36 1.01 -1.26 -4.76 120.40 115.57 1nl4 s VAL 420 Ca 0.42 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 1nl4 s VAL 420 Cb -0.18 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 1nl4 s VAL 420 CO 0.22 0.01 1.76 -2.65 0.00 0.00 0.00 175.10 174.44 1nl4 n PRO 421 N 4.82 0.06 -2.76 2.72 -0.02 -1.26 -4.89 135.00 133.67 1nl4 n PRO 421 Ca 0.15 -1.17 -0.34 0.00 -2.02 0.00 0.00 63.50 60.12 1nl4 n PRO 421 Cb 0.39 -3.02 -0.06 0.00 -0.02 0.00 0.00 33.50 30.79 1nl4 n PRO 421 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nl4 s GLY 422 N 5.91 2.50 0.00 -1.23 0.00 -1.26 -5.04 107.32 108.20 1nl4 s GLY 422 Ca 0.56 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1nl4 s GLY 422 CO 0.13 0.79 0.00 1.97 0.00 0.00 0.00 173.10 176.00